Polymers and Polymeric Composites- Properties, Optimization, and Applications

This book highlights the latest developments and trends in advanced poly blends and their structures.


Liliya I. Bazylak, PhD


293 Pages

22884 Reads

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English

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27.4 MB

Chemical Engineering

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  • Liliya I. Bazylak, PhD   
  • 293 Pages   
  • 12 Feb 2015
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    Uploaded by: E Ebooks Chemical Engineering For More Books, softwares & tutorials Related to Chemical Engineering Join Us @facebook: https://www.facebook.com/AllAboutChemcalEngineering @facebook: https://www.facebook.com/groups/10436265147/ ADMIN: I.W read more..

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    POLYMERS AND POLYMERIC COMPOSITES Properties, Optimization, and Applications read more..

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    POLYMERS AND POLYMERIC COMPOSITES Properties, Optimization, and Applications Edited by Liliya I. Bazylak, PhD Gennady E. Zaikov, DSc, and A. K. Haghi, PhD Reviewers and Advisory Board Members Apple Academic Press TORONTO NEW JERSEY AAP Research Notes on Polymer Engineering Science and Technology read more..

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    CRC Press Taylor & Fr ancis Group 6000 Broken Sound Parkway NW, Suite 300 Boca Raton, FL 33487-2742 Apple Academic Press, Inc 3333 Mistwell Crescent Oakville, ON L6L 0A2 Canada © 2 015 by Apple Academic Press, Inc. Exclusive worldwide distribution by CRC Press an imprint of Taylor & Fr ancis Group, an Informa business No claim to original U.S. Government read more..

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    The AAP Research Notes on Polymer Engineering Science and Technol- ogy reports on research development in different fields for academic insti- tutes and industrial sectors interested in polymer engineering science and technology. The main objective of this series is to report research progress in this rapidly growing field. Editor-in-Chief: Sabu Thomas, PhD Director, School of Chemical read more..

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    Alfonso Jimenez, PhD Professor of Analytical Chemistry and Materials Science, University of Alicante, Spain Gennady E. Zaikov, DSc Head, Polymer Division, N. M. Emanuel Institute of Biochemical Phys- ics, Russian Academy of Sciences; Professor, Moscow State Academy of Fine Chemical Technology, Russia; Professor, Kazan National Research Technological University, Kazan, Russia vi About AAP read more..

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    BOOKS IN THE AAP RESEARCH NOTES ON POLYMER ENGINEERING SCIENCE AND TECHNOLOGY SERIES Functional Polymer Blends and Nanocomposites: A Practical Engineering Approach Editors: Gennady E. Zaikov, DSc, Liliya I. Bazylak, PhD, and A. K. Haghi, PhD Polymer Surfaces and Interfaces: Acid-Base Interactions and Adhesion in Polymer-Metal Systems Irina A. Starostina, DSc, Oleg V. read more..

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    ABOUT THE EDITOR Liliya I. Bazylak, PhD Senior Staff Scientist, Physical-Chemistry of Combustible Minerals De- partment, Institute of Physical Organic Chemistry and Coal Chemistry, National Academy of Sciences of Ukraine, Lviv, Ukraine Liliya Bazylak, PhD, is Senior Staff Scientist in the Physical and Chem- istry of Combustible Minerals Department at the Institute of Physical and Organic read more..

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    Gennady E. Zaikov, DSc Gennady E. Zaikov, DSc, is Head of the Polymer Division at the N. M. Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, Moscow, Russia, and Professor at Moscow State Academy of Fine Chemi- cal Technology, Russia, as well as Professor at Kazan National Research Technological University, Kazan, Russia. He is also a prolific author, read more..

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    List of Contributors ....................................................................................xv List of Abbreviations ............................................................................... xvii List of Symbols ........................................................................................ xixi Preface ..................................................................................................... xxi Uncoated and read more..

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    LIST OF CONTRIBUTORS Izmir Institute of Technology Department of Chemical Engineering, Gülbahce Urla 35430 Izmir T urkey M. I. Artsis Institute of Biochemical Physics after N. M. Emanuel, Kosygina 4, Moscow, 119991, Russia D. V. Bagrov Faculty of Biology, Moscow State University, Leninskie gory 1-12, 119992 Moscow, Russia Devrim Balköse Izmir Institute of Technology Department of Chemical read more..

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    G. V. Kozlov Institute of Applied Mechanics of Russian Academy of Sciences, Russia Sergei M. Lomakin Institute of Organic Chemistry, Ufa Scientific Center of Russian Academy of Sciences, pr. Oktyabrya 71, Ufa, Bashkortostan, 450054, Russia T. K. Makhina A.N. Bach’s Institute of Biochemistry, Russian Academy of Sciences, Leninskiy prosp. 33, 119071 Moscow, Russia V. L. Myshkina read more..

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    LIST OF ABBREVIATIONS AFM Atomic Force Microscopy AP Aromatic Polyesters BSR/TC Butadiene-Styrene Rubber/Technical Carbon CNT Carbon Nano Tube DBTL Dibutyl Tin Dilaurate DFT Density Function Method DMTA Dynamic Thermal Analysis of Mechanical Properties DPD Dissipative Particle Dynamics DSC Differential Scanning Calorimetry DWNTs Double Walled Carbon Nanotubes EOE Ethylene-Octene Elastomer EPDM read more..

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    QM Quantum Mechanics RBM Radial Breathing Mode RHR Rate of Heat Release RVE Representative Volume Element SWNTs Single Walled Nanotubes TBMD Tight Bonding Molecular Dynamics TGA Thermogravimetric Analysis TPE Thermoplastic Elastomers TPE-V Thermoplastic Vulcanisates UC University of Cincinnati VIM Variational Iteration Method WAXS Wide Angle X-Ray Scattering xviii List of Abbreviations read more..

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    LIST OF SYMBOLS a lower linear scale of fractal behavior c nanoparticles concentration C ∞ characteristic ratio d dimension of Euclidean space k n proportionality coefficient K B Boltzmann constant K T isothermal modulus of dilatation l 0 chain skeletal bond length M current molecular weight N number of particles S macromolecule cross-sectional area S i quadrate area S n cross-sectional read more..

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    The main attention in this collection of scientific papers is on the recent theoretical and practical advances in polyblends and composites. This vol- ume highlights the latest developments and trends in advanced polyblends and their structures. It presents new developments of advanced polyblends and respective tools to characterize and predict the material properties and behavior. The read more..

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    CHAPTER 1 A STUDY ON ABSORPTION AND REFLECTION OF INFRARED LIGHT BY THE UNCOATED AND AL COATED SURFACES OF POLYMER FILMS TECHNIQUES ESEN ARKI and DEVRIM BALKÖSE CONTENTS Abstract ..................................................................................................... 2 1.1 Introduction ...................................................................................... 2 1.2 Experimental Part read more..

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    2 Polymers and Polymeric Composites ABSTRACT Polymer films coated with a thin layer of aluminum or aluminum oxide are extensively used in food packing as heat shields. The infrared rays were not transmitted through the films and were reflected protecting the contents from the harmful effects of infrared light. The quantitative mea- surement of the film thickness and infrared light read more..

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    A Study on Absorption And Reflection of Infrared Light 3 triangular aluminum gratings were reduced [15]. Al coating obtained by roll-to-roll coating on polypropylene was polycrystalline with a grain size 20–70 nm [16]. The morphology, order, light transmittance and water vapor permeabil- - of the light spectrum and Al coating reduced the water vapor permeation - milk cover and read more..

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    4 Polymers and Polymeric Composites ness and formed by small Al particles having 22–29 nm grain sizes [18]. Commercial milk and chocolate packaging materials were also investi- gated. 1.2.2 METHODS The surface morphology of the films was examined by scanning electron microscopy. FEI QUANTA FEG-250 SEM was used for this purpose. The thickness of Al coating on the surface of the read more..

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    A Study on Absorption And Reflection of Infrared Light 5 parallel lines on the surface of the polymer produced during processing of the polypropylene film in continuous film machinery. FIGURE 1.1 SEM pictures of Al coated surface of commercial film 1. (a) the Al surface fractured to observe coating thickness; (b) the surface as produced. 1.3.1.2 MORPHOLOGY OF COMMERCIAL FILM read more..

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    6 Polymers and Polymeric Composites 1.3.1.3 MORPHOLOGY OF MAGNETRON SPUTTERED FILMS The polypropylene films were at 50-μm thickness and their one surface was covered with 98–131 nm thick Al layer with magnetron sputtering [18]. In Fig. 1.3, SEM micrographs of magnetron sputtered film are shown. In Fig. 1.3a, there is fractured Al coating on the surface of polypropylene. Figure 6 b. is read more..

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    A Study on Absorption And Reflection of Infrared Light 7 The chocolate packing had an outer layer coated with aluminum. The inner layer was Milk cover had the function of opening the packing when it was pulled. The inner side of the cover, which was in contact with the milk, was covered with a polymer layer. FIGURE 1.5 The SEM micrographs Al coated surface of (a) read more..

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    8 Polymers and Polymeric Composites The peaks observed at 3000–2800 cm–1 belonged to C–H asymmetric and symmetric stretching, at 1450 cm–1 C–H bending, at 1350 cm–1 C–H deformation bending [17]. The peak at 973 cm–1 belongs to amorphous CH 3rocking and C–C chain stretching vibrations and the peak at 998 cm–1 belongs to crystalline CH 3 rocking, CH 2 read more..

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    A Study on Absorption And Reflection of Infrared Light 9 FIGURE 1.7 Specular Reflectance of Spectra of the film 1 (1) polypropylene surface (2) Al coated surface of the film 1. 1.3.3.2 THICKNESS OF COMMERCIAL FILM 1 From the number of the fringes the thickness of the films can be calculated using Eq. (1) [19]. ) ( ) ( 2 1 2 1 ν ν − = N x n b (1) where b read more..

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    10 Polymers and Polymeric Composites 1.3.3.3 SPECULAR REFLECTANCE SPECTRA OF COMMERCIAL AL COATED POLYPROPYLENE FILM 2 The specular reflectance spectra of the surfaces of the commercial film 2 are seen in Fig. 1.8; curve 1 show the specular reflectance spectrum of the polypropylene side of the film and curve 2 show the specular reflection spectrum of the Al side of the film. read more..

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    A Study on Absorption And Reflection of Infrared Light 11 surfaces showed the characteristic spectrum of polypropylene. This indi- cated that there were uncoated polypropylene regions on the coated sur- face. However, the Al coated surface had lower absorbance values at all wave numbers due to reflection of infrared rays from its surface. However, the reflection extent was not read more..

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    12 Polymers and Polymeric Composites 1.3.3.6 SPECULAR REFLECTANCE SPECTRA OF MILK PACKAGE Milk cardboard container has an Al lid to open it. The specular reflection spectra of uncoated and coated surfaces of milk package are seen in Fig. 1.10. Al coating at the upper surface has lower absorbance value than poly- mer at the lower surface. Thus Al coating reflected the infrared read more..

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    A Study on Absorption And Reflection of Infrared Light 13 FIGURE 1.11 Specular Reflection Spectra of chocolate package (1) Polymer surface (2) Al coated surface. 1.3.4 COMPARISON OF ABSORBANCE VALUES IN SPECULAR REFLECTANCE SPECTRA OF PACKING MATERIALS Comparisons of five different films absorbance values are tabulated in Table 1.1. Base line absorbance values at 920 cm–1 and read more..

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    14 Polymers and Polymeric Composites TABLE 1.1 Absorbance Values of Specular Reflectance Spectra of Uncoated and Al Coated Surfaces of Packing Materials Type of film Absorbance at 1450 cm–1 Absorbance at 920 cm–1 Uncoated surface Al Coated Surface Uncoated Surface Al Coated Surface Commercial film 1 0.50 0.11 0.12 0.11 Commercial film 2 0.66 –0.08 –0.03 –0.07 Magnetron sputtered film read more..

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    A Study on Absorption And Reflection of Infrared Light 15 ACKNOWLEDGMENTS - thors of reference 19 for providing for providing commercial aluminum coated films and magnetron sputtered film, respectively. KEYWORDS • Absorption • Commercial films • Magnetron films • Polymer films techniques • Reflection of infrared light • Uncoated and al coated surfaces REFERENCES 1. read more..

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    16 Polymers and Polymeric Composites 11. Bichler, C. H., Langowski, H. C., Moosheimer, U., & Seifert, B. (1997). Journal of Adhesion Science and Technology, 11(2), 233–246. 12. Moosheimer, U., & Bichler, C. H. (1999). Surface and Coating Technology, 116, 812– 819. 13. Oishi, T., Goto, M., Pihosh, Y., Kasahara, A., & To sa, M. (2005). Applied Polymer Science, 241, 223–226. 14. read more..

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    CHAPTER 2 SPECIFIC FEATURES OF NOVEL BLENDS ON THE BASIS OF COPOLYMERS SVETLANA G. KARPOVA, ALEKSEI A. IORDANSKII, SERGEI M. LOMAKIN, and ANATOLII A. POPOV CONTENTS Abstract ................................................................................................... 18 2.1 Introduction .................................................................................... 18 2.2 X-ray and DSC Studies read more..

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    18 Polymers and Polymeric Composites ABSTRACT The specific features of novel blends on the basis of copolymers 3-hy- droxybutyrate with hydroxyl valerate (95:5 mol %) (PHBV) and seg- mented polyetherurethane (SPEU) have been investigated. The samples with different content (100/0, 60/40, 40/60, 50/50, and 0/100 wt.%) are ex- plored by structural (WAXS, FTIR), thermo physical (DSC) and read more..

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    Specific Features of Novel Blends on the Basis of Copolymers 19 term functioning, limits considerably their use during a short-term exploi- tation. Regulation of SPEU lifetime can be achieved by blending it with as poly(3-hydroxybutyrate) (PHB) and its copolymer with 3-hydroxyval- erate (PHBV) [6, 7]. PHB, along with valuable properties, has certain disadvantages, in par- ticular, high read more..

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    20 Polymers and Polymeric Composites - with a Fourier transform at a resolution of 2 cm–1. 2.2 X-RAY AND DSC STUDIES In this chapter it was shown by X-ray technique (WAXS) that the original samples of PHBV are characterized by high crystallinity. In their diffrac- tion patterns at least 5 reflections of the orthorhombic lattice with char- acteristics a = 5.74 Å, b = 13.24 Å read more..

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    Specific Features of Novel Blends on the Basis of Copolymers 21 size growth and improving their crystalline structure that manifested as a de-crease in the basic interplanar spacings d020 and d110 (Table 2.1). The intensity is 66% for the initial samples and 84% for samples treated with water. Crystallite sizes, the corresponding lattice parameters, and crystal- linity of PHBV read more..

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    22 Polymers and Polymeric Composites Therefore, the SPEU molecules prevent the crystallization completion of PHBV and, hence, reduce both the quality of structural organization and the crystallinity degree. 2.3 DYNAMICS OF ESR PROBE MOBILITY AND H–D EXCHANGE KINETICS IN D 2O Recently we have studied the behavior of spin probes (TEMPO and TEM- POL) in high crystalline PHB at room read more..

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    Specific Features of Novel Blends on the Basis of Copolymers 23 FIGURE 2.2 ESP correlation frequency of TEMPO in the parent polymers (PHB, SPEU) These fragments belong to the amorphous regions and are not included exchange rate on the PHBV/SPEU composition has an extreme character (Fig. 2.3), and the position of the minimum is in the same concentration range as the read more..

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    24 Polymers and Polymeric Composites FIGUER 2.3 Dependences of effective constant for isotopic exchange (left y-axis) and the shift of wave number for –NH–fragment in urethane groups (right y-axis) on PHBV concentration in PHBVSPEU blends. 2.4 CONCLUSIONS The complex dynamic and structural properties reveal the influence of SPEU on the molecular dynamics and structure of PHBV, by forming read more..

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    Specific Features of Novel Blends on the Basis of Copolymers 25 REFERENCES 1. Tian, H., Tang, Z., et al. (2012). Progress in Polymer Science, 37, 237. doi:10.1016/j. progpolymsci.2011.06.004. 2. Suyatma, N. E., Copinet, A., et al. (2004). J. Polym. Environ, 12(1), 1. doi: 1566– 2543/04/0100–01/0. 3. Bonartsev, A. P., Boskhomodgiev, A. P., et al. (2012). Molecular Crystals and read more..

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    CHAPTER 3 INTERRELATION BETWEEN THE PARTICLE SIZE OF A TITANIUM CATALYST AND ITS KINETIC HETEROGENEITY IN THE POLYMERIZATION OF ISOPRENE ELENA M. ZAKHAROVA, VADIM Z. MINGALEEV, and VADIM P. ZAKHAROV CONTENTS Abstract ................................................................................................... 28 3.1 Introduction .................................................................................... read more..

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    28 Polymers and Polymeric Composites ABSTRACT The effect particle size of micro heterogeneous catalyst TiCl 4 C 4H9)3 on the basic patterns of isoprene polymerization is studied. Frac- tion of particles with a certain size isolated from the mixture of particles, which is formed by reacting the initial components of the catalyst and its following exposition. The most active in read more..

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    Interrelation between the Particle Size of a Titanium Catalyst 29 3.2 EXPERIMENTAL PART Titanium catalytic systems (Table 3.1) were prepared through two meth- ods. Method 1 content of toluene, calculated amounts of TiCl 4 and Al(iso-C 4H9)3 toluene solutions (cooled to the same temperature) were mixed. The molar ratio of the components of the catalyst corresponded to its maximum read more..

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    30 Polymers and Polymeric Composites Method 2 After preparation and exposure of titanium catalysts via method 1, the system was subjected to a hydrodynamic action via single circulation with solvent through a six-section tubular turbulent unit of the diffuser-confu- sor design [8] for 2–3 s. The catalyst was fractionated through sedimentation in a gravitational toluene. In the course read more..

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    Interrelation between the Particle Size of a Titanium Catalyst 31 The MWD of cis-1,4-polyisoprene obtained under the aforementioned experimental conditions, q w(M), were considered through the equation q w(M)=)=∫ ∞ 0 Ψ(β)Mβ2exp(-Mβ)dβ of active site over kinetic heterogeneity, M is current molecular weight. As was shown previously [9] Eq. (1) is reduced to the Fredholm inte- via read more..

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    32 Polymers and Polymeric Composites FIGURE 3.1 fraction III, attains 5–12% and is practically independent of the catalyst formation conditions. The most considerable changes are shown by par- of catalytic amounts of piperylene, and their diameter becomes equal to that of particles from fraction II. The decrease in the catalyst exposition read more..

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    Interrelation between the Particle Size of a Titanium Catalyst 33 fraction. Isolated catalyst fractions differing in particle size were used for iso- prene polymerization. The cis-1,4-polymer was obtained for all fractions, regardless of their formation conditions. The contents of cis-1,4 and 3,4 units were 96–97 and 3–4%, respectively. Coarse particles (fraction I) are most active in read more..

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    34 Polymers and Polymeric Composites - fect on the fractional composition, but the activities of different catalyst fractions change. The most marked increase in activity was observed for fraction I. Catalyst C-3 prepared via method 1 comprises two fractions, with fraction II having the maximum activity. The decrease of the catalyst of isoprene polymerization on particles of fraction read more..

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    Interrelation between the Particle Size of a Titanium Catalyst 35 TABLE 3.2 Molecular-Mass Characteristics of Cis-1,4-Polyisoprene 1 and 2 Are the Methods of Catalyst Preparation C , min Fraction I Fraction II Fraction III M w×10 –4 M w/Mn M w×10 –4 M w/Mn M w×10 –4 M w/Mn 12 1 2 1 2 1 2 1 2 1 2 C-1 3 17.1 2.6 43.2 43.6 4.6 4.8 25.4 21.4 3.7 3.8 20 56.3 4.2 46.5 57.5 4.0 5.9 23.7 read more..

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    36 Polymers and Polymeric Composites The polymerization of isoprene in the presence of fractions I and II of C-1 (method 1) occurs on site of types B and C (Fig. 3.3). The polym- erization in the presence of fraction III proceeds on active site of type A only. The single site and low activity character of the catalyst composed of particles of fraction III is read more..

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    Interrelation between the Particle Size of a Titanium Catalyst 37 FIGURE 3.4 Active site distributions over kinetic heterogeneity during isoprene polymerization on fractions C-2, Method 1. read more..

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    38 Polymers and Polymeric Composites FIGURE 3.5 Active site distributions over kinetic heterogeneity during isoprene polymerization on particles of Fraction II of C-1 and C-2, Method 2. read more..

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    Interrelation between the Particle Size of a Titanium Catalyst 39 (Fig. 3.6). The decrease (Fig. 3.6). With allow- ance for the low content of fraction III, it may be concluded that, under these conditions, a single site catalyst is formed. In the case of the hydro- dynamic action on C-4, the particles of fraction II contain active centers masses (Fig. 3.6). FIGURE read more..

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    40 Polymers and Polymeric Composites 3.4 DISCUSSION - less of the conditions of catalytic system preparation, feature low activity in polyisoprene synthesis, and the resulting polymer has a low molecular mass and a narrow MWD. The molecular-mass characteristics of polyiso- diameter depend to a great extent on its formation conditions. As shown in Refs. [10, 11], the region of read more..

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    Interrelation between the Particle Size of a Titanium Catalyst 41 mixture. The results obtained allow to consider large particle as clusters, which are composed of smaller particles. In the formation of these clusters are modified ligands available titanium atoms. In the process of polym- erization or catalyst preparation the most severe effects are large parti- cles (clusters). This read more..

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    42 Polymers and Polymeric Composites KEYWORDS • Active sites • Isoprene polymerization • Particles size effect • Single site catalysts • Ziegler-Natta catalyst REFERENCES 1. Kissin, Yu. V. (2012). Journal of Catalysis, 292, 188–200. 2. Hlatky, G. G. (2000). Chemical Reviews, 100, 1347–1376 3. Kamrul Hasan, A. T. M., Fang, Y., Liu, B., & Te rano, read more..

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    CHAPTER 4 TRENDS IN POLYBLEND COMPOUNDS PART 1 A. L. IORDANSKII, S. V. FOMIN, A. BURKOVA, YU. N. PANKOVA, and G. E. ZAIKOV CONTENTS Abstract ................................................................................................... 44 4.1 Introduction .................................................................................... 44 4.2 Objects and Methods read more..

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    44 Polymers and Polymeric Composites ABSTRACT Design of bioerodible composites combining synthetic and natural poly- mers is an important stage for development in constructional and pack- aging materials which are friendly environmental ones during exploita- tion and thrown on a garbage dump. For this object the composites on the base of poly(3-hydroxybutyrate) and polyisobutylene were read more..

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    Trends in Polyblend Compounds Part 1 45 synthetic polymers (polypropylene, polyethylene). However, in addition to their thermo plasticity, representatives of PHAs have optical activity, increase induction period of oxidation, exhibit the piezoelectric effect and, what is most important, they are characterized as being biodegradable and biocompatible. At the same time, the PHAs have read more..

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    46 Polymers and Polymeric Composites temperature treatment of compositions, so the second stage of the com- position processing was carried out in plunger extruder at the temperature Average molecular weight of the elastomer was characterized by vis- cometry method. Average molecular weight of PIB was calculated accord- ing to the equation Mark-Houwink: [] , KMm α η =× (1) read more..

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    Trends in Polyblend Compounds Part 1 47 Polymer samples were subjected to soil degradation in a laboratory microns was placed in the soil to a depth of 1.5–2 cm. Biodegradation rate was assessed by evaluating the mass loss of the samples. Mass losses were 4.3 RESULTS AND DISCUSSION Properties of mixed polymer compositions are determined by many fac- tors, among which in the read more..

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    48 Polymers and Polymeric Composites Atomic force microscopy is considered one of the most perspective methods for studying polymer blends is because this method allows to performed by controlling the interaction of the probe with the sample sur- face at different points. When approaching the surface of the cantilever is comes into contact with the sample. When the probe is read more..

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    Trends in Polyblend Compounds Part 1 49 FIGURE 4.2 Photomicrographs of the relief of films with PHB-PIB ratio of 50:50 (scan size 10 × 10 um) (a, b) and AFM phase contrast image of the film with a ratio of 50:50 PHB-PIB (scan size 10 × 10 um) (c) and 5 × 5 um) (d). Thus, by atomic force microscopy were determined scale structures and distributions of polymers according to the ratio of the read more..

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    50 Polymers and Polymeric Composites FIGURE 4.3 DSC curves of the samples (1 – pure PIB, 2–20% PHB, 3–pure PHB). the glass transition of phases polymers. It was noted displacement values of glass transition temperature of phase PIB to higher temperatures with - position with 60% by weight of the PHB). For PHB phase displacement of values of glass transition temperature read more..

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    Trends in Polyblend Compounds Part 1 51 FIGURE 4.4 Changes in the glass transition temperature of phase PHB. The glass transition temperature change deserves attention because is a sharp jump in the of PHB content of 50–60% by weight. This phenomenon may also be due to the probable phase inversion (previously established by microscopy methods) at said ratio of the read more..

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    52 Polymers and Polymeric Composites phase structure of polymer blends. Dependence “melt viscosity tempera- ture” were investigated for all compositions. The viscosity values at vari- ous temperatures for blends of polymers with different ratios are shown in Fig. 4.5. FIGURE 4.5 The viscosity values at various temperatures for blends of polymers with different ratios. The read more..

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    Trends in Polyblend Compounds Part 1 53 () ( ) () () ( ) () () () 7- 5 8 -10 - 7- 5 - , 7 - 5 8 -10 - 8 -10 - mm m f m m f f m mm m f mm ff f f νη νη ν η η ηη νη νη ν η η ×+ × × × =× ×+ × × × (2) m – viscosity of the matrix, Pa f f – volume fraction of the m – Poisson’s ratio of the matrix (assumed equal to 0.5). read more..

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    54 Polymers and Polymeric Composites of polymer blends determined by the properties of the polymer matrix, so the melt blend composition (due to the formation of a continuous matrix - gated materials. Also, the data in Fig. 4.6 are consistent with the position that the greater the difference in viscosity of mixed polymers, the earlier the formation of a continuous matrix less read more..

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    Trends in Polyblend Compounds Part 1 55 and biological factors (accumulation of microorganisms biomass on the matrix PIB as a carbonaceous substrate for growth. 4.4 CONCLUSIONS There are some conclusions drawn in the course of studying structure and properties of polymer system “PHB-PIB”: 1. Structure of mixed compositions of PHB-PIB investigated by atomic force microscopy; confirmed read more..

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    56 Polymers and Polymeric Composites KEYWORDS • AFM • Blends • Degradation • DSC • Morphology • Poly(3-hydroxybutyrate) • Polyisobutylene • Rheology • Soil • Weight loss REFERENCES 1. Kuleznev, V. N. (1980). Mixtures of the polymers. Moscow. 2. Paul, D., & Bucknell, K. (2009). Polyblend Compounds. Functional Properties. Saint Petersburg. 3. Paul, D., read more..

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    CHAPTER 5 TRENDS IN POLYBLEND COMPOUNDS PART 2 A. P. BONARTSEV, A. P. BOSKHOMODGIEV, A. L. IORDANSKII, G. A. BONARTSEVA, A. V. REBROV, T. K. MAKHINA, V. L. MYSHKINA, S. A. YAKOVLEV, E. A. FILATOVA, E. A. IVANOV, D. V. BAGROV, G. E. ZAIKOV, and M. I. ARTSIS CONTENTS 5.1 Introduction .................................................................................... 58 5.2 Experimental read more..

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    58 Polymers and Polymeric Composites 5.1 INTRODUCTION This chapter is designed to be an informative source for biodegradable poly(3-hydroxybutyrate) and its derivatives’ research. We focuses on hy- compare PLA and PHB kinetic profiles. Besides, we reveal the kinetic behavior for copolymer PHBV (20% of 3-hydroxyvalerate) and the blend PHB-PLA. The intensity of biopolymer hydrolysis read more..

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    Trends in Polyblend Compounds Part 2 59 drolytic degradation kinetics during long-term period is comparatively uncommon [10–14]. Therefore, the main object of this chapter is the com- parison of long-term degradation kinetics for the PLA, PHB and its de- rivatives, namely its copolymer with 3-oxyvalerate (PHBV) and the blend makes possible to compare the degradation behavior for two read more..

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    60 Polymers and Polymeric Composites intensity of methyl group of HV (0.89 ppm) and total integral intensity the same group and HB group (1.27 ppm). This value is 21 mol%. 5.2.3 MOLECULAR WEIGHT DETERMINATION The viscosity-averaged molecular weight (MW) was determined by the viscosity ( η - tions of MW have been made in accordance with Mark-Houwink equation [17]: [ η] = 7.7 read more..

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    Trends in Polyblend Compounds Part 2 61 using an Orion 420+ pH-meter (Thermo Electron Corporation, USA). For polymer weight measurements films were taken from the buffer solution weighed with a balance. The film samples weighed 50–70 mg each. The loss of polymer weight due to degradation was determined gravimetrically using a AL-64 balance (Acculab, USA). Every three days the read more..

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    62 Polymers and Polymeric Composites 5.3 RESULTS AND DISCUSSION The in vitro degradation of PHB with different molecular weight (MW) and its derivatives (PHBV, blend PHB/PLA) prepared as films was ob- served by the changes of total weight loss, MW, and morphologies (AFM, XRD) during the period of 91 days. 5.3.1 THE HYDROLYSIS KINETICS OF PLA, PHB, AND ITS DERIVATIVES The read more..

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    Trends in Polyblend Compounds Part 2 63 Having compare destruction behavior of the homopolymer PHB and the copolymer PHBV, we can see that the introduction of hydrophobic entity (HV) into the PHB molecule via copolymerization reveals the hy- drolytic stability of PHBV molecules. For PHBV an hydrolysis induction time is the longest among the other polymer systems and over read more..

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    64 Polymers and Polymeric Composites FIGURE 5.1 Weight loss in the phosphate buffer for PHB and its derivatives with 500, and 1000 kDa, respectively; PHBV 1050 ( ); and PHB-PLA blend ( ). read more..

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    Trends in Polyblend Compounds Part 2 65 by other literature data [21]. Here it is worth to remark that during biosyn- thesis of the PHBV two opposite effects of water sorption acting reversely each other occur. On the one side, while the methyl groups are replaced by ethyl groups, the total hydrophobicity of the copolymer is enhanced, on the other side, this replacement read more..

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    66 Polymers and Polymeric Composites time the mean length of PHB intermediates is fairly large and the molar ratio of the terminal hydrophilic groups to the basic functional groups in a biodegradable fragment is too small to provide the solubility in aqueous media. This situation is true for the PHB samples with middle and high stable during all time of observation but the read more..

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    Trends in Polyblend Compounds Part 2 67 5.3.3 CRYSTALLINITY OF PHB AND PHBV We have above revealed that during hydrolytic degradation, PHB and PHBV show the MW reduction (Section 2) and the total weight decrease (Section 1). Additionally, by the X-ray diffraction technique (XRD) we have measured the crystallinity degree of PHB and PHBV that varied de- pending on time in read more..

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    68 Polymers and Polymeric Composites compose the perfect crystalline entities because of a relatively high con- centration of terminal groups performing as crystalline defects (Fig. 5.3). FIGURE 5.3 (a) Crystallinity evolution during the hydrolysis for PHB and PHBV films (denoted values of temperature and MW). (b) Crystallinity as function of initial MW for PHB films prepared by read more..

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    Trends in Polyblend Compounds Part 2 69 Thus, at physiological temperature the crystallinity, measured during degradation by XRD technique has an slightly extreme character. On the initial stage of PHB degradation the crystalline/amorphous ratio is in- creased owing to additional crystallization through involvement of poly- reaching the critical MW values (see Section 2), the following read more..

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    70 Polymers and Polymeric Composites FIGURE 5.4 AFM topographic images of PHB films (170 kDa) with a scan size of 18 × surface of fresh-prepared sample (exposed to glass); (c) the sample exposed to phosphate days. General magnificence is 300. Inequality of morphology between two surfaces gets clearly evident when quantitative parameters of roughness (r n) were compared. A rough- read more..

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    Trends in Polyblend Compounds Part 2 71 The variance of characteristics is related with solvent desorption con- - Simultaneously, during evaporation the morphology and texture on the impact of solvent transport. The morphology of the latter surface depends on energy interaction conditions (interface glass-biopolymer tension) pre- days) lead to a threefold growth of roughness characteristics read more..

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    72 Polymers and Polymeric Composites stable, the crystallinity degree is constant as well and even it may grow up due to additional crystallization. On the second stage of hydrolysis, when the MW of intermediates attain the “critical” value, which is equal about 30 kDa, these intermediates can dissolve and diffuse from the polymer into buffer. Within this period the weight loss read more..

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    Trends in Polyblend Compounds Part 2 73 REFERENCES 1. Sudesh, K., Abe, H., & Doi, Y. (2000). Synthesis, Structure and Properties of Poly- hy-Droxyalkanoates: Biological Polyesters. Progress in Polymer Science (Oxford), 25(10), 1503–1555. 2. Lenz, R. W., & Marchessault, R. H. (2005). Bacterial Polyesters: Biosynthesis, Biode- gradable Plastics and Biotechnology. Biomacromolecules, 6(1), 1–8. 3. read more..

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    74 Polymers and Polymeric Composites droxybutyrate Produced by Azotobacter Chroococcum 7B. Applied Biochemistry and Microbiology, 44(5), 482–486. 16. Myshkina, V. L., Ivanov, E. A., Nikolaeva, D. A., Makhina, T. K., Bonartsev, A. P., Filatova, E. V., Ruzhitsky, A. O., & Bonartseva, G. A. (2010). Biosynthesis of Poly 3-Hydroxybutyrate–3-Hydroxyvalerate Copolymer by Azotobacter Chroococcum read more..

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    Trends in Polyblend Compounds Part 2 75 31. Siepmann, J., Siepmann, F., & Florence, A. T . (2006). Local Controlled Drug Delivery to the Brain: Mathematical Modeling of the Underlying Mass Transport Mechanisms. International Journal of Pharmaceutics, 314(2), 101–119. 32. Zhang, T. C., Fu, Y. C., Bishop, P. L., et al. (1995). Transport and Biodegradation of Toxic read more..

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    CHAPTER 6 POLYMERIC NANOCOMPOSITES REINFORCEMENT G. V. KOZLOV, YU. G. YANOVSKII, and G. E. ZAIKOV CONTENTS Abstract ................................................................................................... 78 6.1 Introduction .................................................................................... 78 6.2 Experimental Part ........................................................................... 80 6.3 Results and read more..

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    78 Polymers and Polymeric Composites ABSTRACT In this chapter, different methods of filler structure (distribution) determi- nation in polymer matrix; both experimental and theoretical are discussed in detail. 6.1 INTRODUCTION The experimental analysis of particulate-filled nanocomposites butadiene- styrene rubber/fullerene-containing mineral (nanoshungite) was fulfilled with the aid of force-atomic read more..

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    Polymeric Nanocomposites Reinforcement 79 since its intensity can be the one, that nanofiller particles aggregates size exceeds 100 nm the value, which is assumed (though conditionally enough [6]) as an upper dimensional limit for nanoparticle. In other words, the ag- gregation process can result to the situation when primordially supposed nanocomposite ceases to be one. Therefore, at read more..

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    80 Polymers and Polymeric Composites condition that it was in a very dispersed state and it could be dispersed in necessary and, probably, the main requirement for reinforcement effect realization in rubbers. Using modern terminology, one can say, that for process is suppressed as far as possible, would be the most effective ones Proceeding from the said above, this chapter read more..

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    Polymeric Nanocomposites Reinforcement 81 - cal microscopes and so on. The given package possesses the whole func- tions number, which are necessary at images precise analysis, in a number of which the following ones are included: the possibility of three-dimensional reflecting objects obtaining, dis- tortions automatized leveling, including Z-error mistakes removal for examination of read more..

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    82 Polymers and Polymeric Composites matrix-nanofiller boundary. The measurements of 34 such steps (interfa- cial layers) width on the processed in SPIP images of interfacial layer various section gave the mean experimental value l if=8.7 nm. Besides, na- noindentation results (Fig. 6.1, figures on the right) showed, that interfa- cial layers elasticity modulus was only by 23–45% read more..

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    Polymeric Nanocomposites Reinforcement 83 l=l if. In this case it can be written [21]: () 2/ surf dd d p if R la a − ⎛⎞ ≈ ⎜⎟ ⎝⎠ , (1) where a is a lower linear scale of fractal behavior, which is accepted for polymers as equal to statistical segment length l st [22], R p is a nanofiller particle (more precisely, particles aggregates) radius, which for read more..

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    84 Polymers and Polymeric Composites 410 surf dd up SR − = , (4) where S u is nanoshungite particles specific surface, calculated as follows [28]: 3 u np S R ρ = , (5) where ρ n is the nanofiller particles aggregate density, determined accord- ing to the formula [3]: ()1/3 0.188 np R ρ = . (6) The calculation according to the Eqs. (4)–(6) gives d surf=2.44. read more..

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    Polymeric Nanocomposites Reinforcement 85 Let us note in conclusion the important experimental observation, which follows from the processed by program SPIP results of the studied nanocomposite surface scan (Fig. 6.1). As one can see, at one nanoshungite particle surface from one to three (in average two) steps can be observed, width (or l if surface) step width. Therefore, the read more..

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    86 Polymers and Polymeric Composites The calculation according to the Eqs. (11) and (12) gave the following E n/Em values: 4.60 and 6.65, respectively. Since the experimental value E n/ E m=6.10 is closer to the value, calculated according to the Eq. (12), then this means that both interfacial layers are a reinforcing element for the in the equations for value l if read more..

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    Polymeric Nanocomposites Reinforcement 87 FIGURE 6.2 The images, obtained in the force modulation regime, for nanocomposites, filled with technical carbon (a), nanoshungite (b), microshungite (c) and corresponding to them fractal dimensions ag f d . read more..

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    88 Polymers and Polymeric Composites In case of “seeds” high concentration c 0 for the variant A the following relationship was obtained [31]: max 0 / ag f d RN c c == , (14) where R max is nanoparticles cluster (aggregate) greatest radius, N is nanoparticles number per one aggregate, c is nanoparticles concentration, c 0 is “seeds” number, which is equal to read more..

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    Polymeric Nanocomposites Reinforcement 89 where k n is proportionality coefficient, in the present work accepted em- pirically equal to 0.9. TABLE 6.1 The Parameters of Irreversible Aggregation Model of Nanofiller Particles Aggregates Growth Nanofiller R ag, nm r n, nm N T Rmax , nm T ag R , nm R c, nm Technical carbon 34.6 10 35.4 34.7 34.7 33.9 Nanoshungite 83.6 20 51.8 45.0 90.0 71.0 read more..

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    90 Polymers and Polymeric Composites limited by mean displacement of statistical walks, by which nanoparticles are simulated. The relationship between L n and ξ can be expressed analyti- cally as follows: ξ ≈ 6 . 9 n L , nm. (18) FIGURE 6.3 The initial particles diameter (a), their aggregates size in nanocomposite (b) and distance between nanoparticles aggregates (c) for read more..

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    Polymeric Nanocomposites Reinforcement 91 The second important aspect of the model [31] in reference to nano- concentration c or ϕ n effect, which takes place in any real systems. This effect is realized at the condition ξ ≈R ag, that occurs at the critical value R ag(Rc), determined according to the relationship [31]: ~ ag f dd c cR − . (19) The Eq. (19) right side read more..

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    92 Polymers and Polymeric Composites where η 0 and η are initial polymer and its mixture with nanofiller viscos- ity, accordingly. The calculation according to the equations (21) and (22) shows, that D changes as 1.32–1.14–0.44 relative units, that is, reduces in three times, that was ex- pected. This apparent contradiction is due to the choice of the condition t=const (where read more..

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    Polymeric Nanocomposites Reinforcement 93 ln ln n N D ρ = , (23) where N is a number of particles with size ρ. Particles sizes were established on the basis of atomic-power micros- copy data (see Fig. 6.2). For each from the three studied nanocomposites no less than 200 particles were measured, the sizes of which were united into 10 groups and mean values N and ρ read more..

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    94 Polymers and Polymeric Composites The calculated according to the indicated method dimensions D n are adduced in Table 6.2. As it follows from the data of this table, the values D n for the studied nanocomposites are varied within the range of 1.10– 1.36, that is, they characterize more or less branched linear formations - ites polyhydroxiether/graphite the value D n read more..

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    Polymeric Nanocomposites Reinforcement 95 FIGURE 6.6 The dependences of covering quadrates number N i on their area S i, corresponding to the Eq. (25), in double logarithmic coordinates for nanocomposites on the basis of BSR. The designations are the same, that in Fig. 6.5. As it has been shown in Ref. [44], the usage for self-similar fractal 1 ~ n D ii i NN S − − read more..

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    96 Polymers and Polymeric Composites makes up 311–1510 nm, that corresponds well enough to the indicated above self-similarity range. FIGURE 6.7 The dependences of (N i–Ni+1) on the value 2 / n D i S − , corresponding to the relationship (26), for nanocomposites on the basis of BSR. The designations are the same, that in Fig. 6.5. In Refs. [38, 39] it has been shown, read more..

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    Polymeric Nanocomposites Reinforcement 97 /2 max min 2 n D S S μ ⎛⎞ > ⎜⎟ ⎝⎠ . (28) Using the indicated above values of the included in the inequality Eq. (28) parameters, μ=1.42–1.75 is obtained for the studied nanocomposites, that is, in our experiment conditions self-similarity iterations number is larger than unity, that again confirms correctness of the value D n read more..

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    98 Polymers and Polymeric Composites (aggregates of particles) “chains” in elastomeric nanocomposites are physical fractal within self-similarity (and, hence, fractality [41]) range of ~500–1450 nm. In this range their dimension D n can be estimated accord- ing to the Eqs. (23), (25) and (29). The cited examples demonstrate the necessity of the measurement scales range correct choice. read more..

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    Polymeric Nanocomposites Reinforcement 99 strains are typical for polymer materials in general and are due to intermo- lecular bonds anharmonicity [46]. In Ref. [47], it has been shown that the dependence E(h pl h pl processes and has a purely elastic origin. The elasticity modulus E on this part changes in proportion to h pl as: 00 pl EE B h =+ , (30) where E 0 is read more..

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    100 Polymers and Polymeric Composites Calculation according to the Eq. (31) has given the following values γ L: γ L adduced values is typical for intermolecular bonds, whereas the second value γ L is much closer to the corresponding value of Grüneisen parameter G for intrachain modes [46]. Poisson’s ratio ν can be estimated by γ L (or G) known values according to read more..

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    Polymeric Nanocomposites Reinforcement 101 Let us consider further E reduction at h pl growth (Fig. 6.9) within the ψ can be estimated as follows [22]: n T kT K ρ ψ = , (35) where ρ n is nanocomposite density, k is Boltzmann constant, T is test- ing temperature, K T is isothermal modulus of dilatation, connected with Young’s modulus E by the relationship read more..

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    102 Polymers and Polymeric Composites layers separation, is widespread at a relationships derivation in microcom- posite models. FIGURE 6.10 The schematic images of Berkovich indentor and nanoindentation process. It is obvious, that the Eq. (35) is inapplicable to nanosystems, since ψ →0 assumes K T→∞ that is physically incorrect. Therefore, the value E 0, obtained by the read more..

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    Polymeric Nanocomposites Reinforcement 103 FIGURE 6.11 The dependence of density fluctuation ψ on volume of deformed in nanoindentation process material V def in logarithmic coordinates for nanocomposites BSR/ TC. Hence, the stated above results have shown, that elasticity modulus - posites is due to a number of causes, which can be elucidated within the nanocomposites during nano read more..

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    104 Polymers and Polymeric Composites ()1/ 15.2 1 t n surf m E dd E ⎡⎤ =− − ⎢⎥ ⎣⎦ , (37) where t is index percolation, equal to 1.7 [28]. - ticles) surface dimension d surf is the parameter, controlling nanocomposites reinforcement degree [53]. This postulate corresponds to the known prin- ciple about numerous division surfaces decisive role in nanomaterials as the read more..

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    Polymeric Nanocomposites Reinforcement 105 In Fig. 6.13, two theoretical dependences of E n/Em - ticles size (diameter D p), calculated according to the Eqs. (4)–(6) and (37), are adduced. However, at the curve 1 calculation the value D p for the initial - ticles aggregates size ag p D (see Fig. 6.3). As it was expected [5], the growth E n/Em at D p or ag p D read more..

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    106 Polymers and Polymeric Composites 15 10 100 En/Em Dp, nm 200 0 - 4 - 5 - 6 5 1 2 3 FIGURE 6.13 The theoretical dependences of reinforcement degree E n/Em on nanofiller particles size D p, calculated according to the Eqs. (4)–(6) and (37), at initial nanoparticles (1) and nanoparticles aggregates (2) size using. 3 – the boundary value D p, read more..

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    Polymeric Nanocomposites Reinforcement 107 KEYWORDS • Nanocomposites • Nanofillers • Polymer reinforcement REFERENCES 1. Yanovskii, Yu. G., Kozlov, G. V., & Karnet, Yu. N. (2011). Mekhanika Kompozitsion- nykh Materialov i Konstruktsii, 17(2), 203–208. 2. Malamatov, A. Kh., Kozlov, G. V., & Mikitaev, M. A. (2006). Reinforcement Mecha- nisms of Polymer Nanocomposites. Moscow, read more..

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    108 Polymers and Polymeric Composites 17. Kornev, Yu. V., Yumashev, O. B., Zhogin, V. A., Karnet, Yu. N., & Ya novskii, Yu. G. (2008). Kautschuk, i Rezina, 6, 18–23. 18. Oliver, W. C., & Pharr, G. M. (1992). J. Mater. Res, 7(6), 1564–1583. 19. Kozlov, G. V., Yanovskii, Yu. G., & Lipatov, Yu. S. (2002). Mekhanika Kompozitsion- nykh Materialov i read more..

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    Polymeric Nanocomposites Reinforcement 109 48. Kubat, J., Rigdahl, M., & Welander, M. (1990). J. Appl. Polymer Sci., 39(5), 1527– 1539. 49. Yanovskii, Yu. G., Kozlov, G. V., Kornev, Yu. V., Boiko, O. V., & Karnet, Yu. N. (2010). Mekhanika Kompozitsionnykh Materialov i Konstruktsii, 16(3), 445–453. 50. Yanovskii, Yu. G., Kozlov, G. V., & Aloev, V. Z. read more..

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    CHAPTER 7 AROMATIC POLYESTERS ZINAIDA S. KHASBULATOVA and GENNADY E. ZAIKOV CONTENTS Abstract ..................................................................................................112 7.1 Introduction ...................................................................................112 7.2 Aromatic Polyesters ......................................................................115 7.3 Aromatic Polyesters of N-Oxybenzoic Acid read more..

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    112 Polymers and Polymeric Composites ABSTRACT The data on aromatic polyesters based on phthalic and n-oxybenzoic acid derivatives have been presented and various methods of synthesis of such polyesters developed by scientists from different countries for last 50 years have been reviewed. 7.1 INTRODUCTION The important trend of modern chemistry and technology of polymeric materials is the read more..

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    Aromatic Polyesters 113 lymers. The thermal and mechanical properties and also the stability of industrial block-copolymers vary in broad limits. The range of operating temperatures and the thermal stability of TPEs have lately been extended owing to the use of solid blocks of high T glass (of polysulfones or polycarbonates for instance) combined with soft blocks of low T glass. read more..

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    114 Polymers and Polymeric Composites Russian and foreign scientists remarkably succeeded in both areas of - tion polymers and areas of development of methods of performing poly- condensation and studying of the mechanism of reactions grounding the polycondensation processes [1–6]. The reactions of polycondensation are the bases of producing the most important classes of heterochain read more..

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    Aromatic Polyesters 115 Obtained copoly and block-copolyestersulfoneketones, as well as polyarylates based of dichloranhydrides of phthalic acids and chloranhy- dride of 3,5-dibromine-n-oxybenzoic acid and copolyester with groups of terephthaloyl-bis(n-oxybenzoic) acid possess high mechanical and dielec- - ity. The regularities of acceptor-catalyst method of polycondensation and high-temperature read more..

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    116 Polymers and Polymeric Composites tons of wood while the economy of labor expenses reaches 800 man-hours per 1 ton of polymers. About 50% of all polymers used in engineering industry are consumed in electrotechnique and electronics. The 80% of all the production of electrotechnique and up to 95% of that of engineering industry has been produced with help of polymers. The read more..

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    Aromatic Polyesters 117 Starting with these and mutually complementing the properties, materials of high operation properties, and thermo-stable plastics of constructional Some widely used and attractive classes of polymers of constructional assignment are considered in detail below. 7.3 AROMATIC POLYESTERS OF N-OXYBENZOIC ACID The n-hydroxybenzoic (n-oxybenzoic) acid has been extensively used at read more..

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    118 Polymers and Polymeric Composites condensation, because the phenol hydroxyl possesses low reaction ability. Usually more reactive chloranhydrides are used. The polycondensation of n-oxybenzoic acid with blocked hydroxyl group (or of corresponding n- acetoxybenzoic acid [23, 24] or the n-oxybenzoic acid mixed with acyla- tion agent Ac 2O [25–27] at presence of standard catalyst (in two read more..

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    Aromatic Polyesters 119 oxybenzoic acid [37, 38]. The presence of fragments of n-oxybenzoic acid in macromolecular chain of the polymer not only increases the thermal resistance but improves the physic-chemical characteristics of polymeric materials. Obtained polyesters, consisting of monomers of n-oxybenzoic acid and n-dioxyarylene (of formula HO-Ar-OH, where Ar denotes bi- sphenylene, read more..

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    120 Polymers and Polymeric Composites by single-stage polycondensation of the melt of 30–60 mol % of n-oxy- benzoic acid mixed with other ingredients [46]. TABLE 7.1 Physic-Mechanical Properties of Aromatic Polyesters Based on N-Oxybenzoic Acid Composition of polyesters Bending str ength, MPa Flex modulus, N/sm 2 Br eaking str ength, MPa Elasticity modulus when br eak, N/ sm 2 oxybenzoic read more..

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    Aromatic Polyesters 121 materials. The introduction of such agents in small amounts would not diminish properties of polyesters. Accounting for the aforesaid, one can assume that the chemical modi- of solider component (halogen-containing n-oxybenzoic acid) can help to - ening of their properties. It is obvious [49] that to replace one should in- tentionally use bromine atoms, which read more..

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    122 Polymers and Polymeric Composites m-acetoxybenzoic acid by means of polycondensation in melt. All the co- polyesters are thermotropic and form nematic phase. The types of LQPs of n-oxybenzoic acid are given in Table 7.2. LQPs can be characterized by high physic-chemical parameters, see Table 7.3. of such copolyesters at high temperatures. The synthesis of totally aromatic read more..

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    Aromatic Polyesters 123 Company Country Trade label Remarks Celanese Corp. A – 130 B – 130 A – 230 A – 540 A – 900 A – 950 Eastman Kodak Co USA Vectron Copolyesters based on n-oxybenzoic acid and polyethyleneterephthalate LCC – 10108 LCC – 10109 BASF Germany Ultrax Re-replaced complex aromatic polyester Bayer A.G. Germany Ultrax Aromatic polyester ICI Great Britain read more..

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    124 Polymers and Polymeric Composites TABLE 7.3 Physic-Mechanical Properties of Some Liquid-Crystal Polyesters of N-Oxybenzoic Acid Property Xydar Vectra SRT- 300 SRT- 350 FSR- 315 A-625 (chem. stable) (highly (wear resistant) with glass (highly thermal resistant) Density, g/ cm3 1.35 1.35 1.4 1.54 1.48 1.88 1.57 1.57 Tensile limit, MPa 115.8 125.5 81.4 170 180 140 200 165 Modulus in tension, GPa read more..

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    Aromatic Polyesters 125 ported in Refs. [65–68]. Each repetitive link is in certain amounts within the polymer. All these copolymers are used as protective covers. The thermotropic liquid-crystal copolyesters can be synthesized also on the basis of n-oxybenzoic and 2,6-oxynaphthoic acid at presence of catalysts (sodium and calcium acetates) [69, 70]. The catalyst sodium ac- etate read more..

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    126 Polymers and Polymeric Composites tion. Increasing pressure, decreasing free volume and mobility in the mix, one can delay the reaction between the compounds. The investigation of the properties of liquid-crystal copolyesters based on n-oxybenzoic acid/polyethyleneterephthalate and their mixes with iso- tactic polypropylene (PP), polymethylmethacrylate, polysulfone, polyeth- ylene-2,6-naphthalate, read more..

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    Aromatic Polyesters 127 geneous and heterogeneous melts of copolyesters based on polyethylene- terephthalate and acetoxybenzoic acid [108]. with increasing molar mass and decreasing temperature. Essentially higher quantities of molecular orientation and strength correspond to extrudates obtained from the homogeneous melt compared to extrudates produced process of disorientation of the structure and read more..

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    128 Polymers and Polymeric Composites Electronics and electrotechnique are considered as promising areas of application of liquid-crystal polymers. In electronics, however, liquid- crystal polymers meet acute competition from cheaper epoxide resins and polysulfone. Another possible areas of using high-heat-resistant liquid of combustibility: noncombustible, hard-to-burn and combustible. Aro- matic read more..

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    Aromatic Polyesters 129 the combination of aromatic polyesters with halogen-containing com- pounds and the use of halogen-involving coupling agents [114, 115]. Very different components (aromatic and aliphatic) can become modi- to attach some new features to polymers but also improve their physical properties. 7.4 AROMATIC POLYESTERS OF TEREPHTHALOYL-BIS-(N- OXYBENZOIC) ACID Among known classes of read more..

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    130 Polymers and Polymeric Composites (CH2) 10 OC O OC O C O O n The study of polyesters with terephthaloyl-bis(n-oxybenzoate) groups continues in Refs. [120–123]. The oxyethylene (CH 2CH2O)n and oxypro- pylene (CH 2CHCH3O)n - - ible decoupling was found to be responsible for the formation of ordered that polymers are able to form smectic and nematic liquid-crystal phases, read more..

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    Aromatic Polyesters 131 All polymers were obtained by means of high-temperature acceptor- free polycondensation of terephthaloyl-bis(n-oxybenzoylchloride) with bis-4-oxybenzoyl derivatives of corresponding polyethylene glycols in solutions of high-boiling dissolvent in current inert gas. Copolyesters with mesogenic groups, extended up to 5 phenylene cycles and up to 15–17 oxyethylene links, are read more..

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    132 Polymers and Polymeric Composites The relatively low contribution of adverse reactions compared to the polyesters of following chemical constitution were studied in Ref. [132]: n- oxybenzoic) acid, terephthalic acid, phenylhydroquinone and resorcinol) entering to the polymeric chain in quantities 2:3:5. Terephthalic acid was replaced with monomer containing phenylene cycle in meta-place in read more..

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    Aromatic Polyesters 133 ester groups: OC O OC O C O O C O OR n R=CH(CH 3)CH2CH2CH2CH2 2CH2(II, I) 3)2 (II) or CH 2CH2(CH3) (III). The polymer I was synthesized by means of high-temperature accep- tor-free polycondensation from dichloranhydride of terephthaloyl-bis(n- oxybenzoic) acid and 2-methylhexa-methylene-1,5-diol in inert dissolvent (bisphenyloxide at 200 °C). The phase state of polymer I at room read more..

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    134 Polymers and Polymeric Composites It was determined that the length of statistic Kuhn segment A was 2 )1/ 2=1.08, the interval of molar masses started with 3.1 and ended 29.9 103. The analysis of literature data shows that the use of bisphenyl deriva- tives as elements of structure of polymeric chain allows one to produce liquid crystal polyesters, reprocessible from the read more..

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    Aromatic Polyesters 135 2 2OCH2 2 2CH2 2 2CH2 - ethylene decouplings; polyethylene glycols (PEG) PEG 200, PEG 300, PEG 400, PEG 600, PEG 1000 – polyoxyethylene decouplings of various - ments of regularity within the main chain: links of terephthalic acid – links of terephthaloyl-bis(n-oxybenzoic) The synthesized in Ref. [136] were the block-copolymers contain- ing the links of read more..

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    136 Polymers and Polymeric Composites II was determined in Ref. [138]. The distribution of triad sequences ap- proximated to the characteristic one for statistical copolymer with in- creasing of the exposure time. The relaxation of liquid-crystal thermotropic polymethyleneterephtha- loyl-bis(n - above 20 ° was established thin the presence of ordering both in crystals and in nem- atic read more..

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    Aromatic Polyesters 137 2 n where R stands for aromatic radical. - polysulfones are hardly reprocessible due to the high temperature of melt and are not used for technical purposes. Aromatic polysulfones are basically linear amorphous polyerylensul- fonoxides. They are constructional thermoplasts, which have sulfonic groups – SO 2 – in their main chain along with simple ester read more..

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    138 Polymers and Polymeric Composites The other bisphenols than bisphenylolpropane (diane) can be used for synthesizing polysulfones, and the constitution of ingredients make con- siderable effect on the properties of polymers. Linear polysulfones based on bisphenylolpropane and containing iso- propylidene groups in the chain are easily reprocessible into the articles and have high hydrolysis read more..

  • Page - 163

    Aromatic Polyesters 139 polycarbonate. Impact strength on Izod is 7–8 kJ/m2 at 23 C with notch. The strength and durability of polysulfones keep well at high tempera- tures. This fact opens possibilities to compete with metals in such areas where other thermoplasts are worthless. The possibilities of using polysulfones in parts of high-precision articles arise from its low read more..

  • Page - 164

    140 Polymers and Polymeric Composites should be dried out for approximately 1.8 104 moisture is more than 0.05%. The quality of articles based on polysul- fone worsens at higher moists though the polymer itself does not change its properties. The polysulfones are reprocessible at temperatures 315– The high thermal stability of aromatic polysulfones allows one to con- duct read more..

  • Page - 165

    Aromatic Polyesters 141 The polysulfone has following main characteristics: water absorp- tion – 1.8% (within 5.64 × 104 0.8%; electric inductivity at a frequency 60 Hz – 3.94; dielectric loss tan- gent at 60 Hz – 0.003 [154–157]. The polysulphones have good resistance to the effect of acids, alkalis, engine oils, oil products and aliphatic hydrocarbons. The polysulfone read more..

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    142 Polymers and Polymeric Composites Several types of polysulfone “Victrex” can be distinguished: 100P – powder for solutions and glues; 200P – casting polymer; 300P – with in- creased molecular weight for extrusion and casting of articles operating under the load at increased temperature in aggressive media; and others. The polysulfone “Victrex” represents amorphous read more..

  • Page - 167

    Aromatic Polyesters 143 The consumption of polysulfones in Western Europe has reached 50% in electronics/electrotechnique, 23% in transport, 12% in medicine, 7% in space/aviation and 4% in other areas since 1980 till 2006 [170]. The polysulfones are used for manufacturing of printed-circuit sub- strates, moving parts of relays, coils, clamps, switches, pipes socles, po- tentiometers read more..

  • Page - 168

    144 Polymers and Polymeric Composites The aromatic polysulfones with the degree of crystallinity of 36% can be synthesized [179] with help of reaction of 2,2-bis(4-hydroxy-4-tret-butylphe- carbonate in the environment of polar solvent 1,3-dimethyl-2-imidasolidi- limit = 0.5 dL/g. The possibility to use the synthesized aromatic polysulfone as antipy- renes of textile materials was shown in read more..

  • Page - 169

    Aromatic Polyesters 145 For example, it is reported in Ref. [186] on the synthesis of block- copolyesters and their properties in dependence on the composition and structure of oligoesters. The oligoesters used were oligoformals on the basis of diane with the degree of condensation 10 and oligosulfones on the basis of phenolphthalein with the degree of condensation 10. The read more..

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    146 Polymers and Polymeric Composites catalyzed by alkali, results, with exclusion of bisphenol A and introduction segments of simple ester, in formation of segmented block-copolymer [189]. The Refs. [190–199] are devoted to the problem of synthesis of sta- tistical copolymers of polysulfones, production of mixes on the basis of polysulfones and study of their properties as well read more..

  • Page - 171

    Aromatic Polyesters 147 carbonated and bicarbonates. All components used are applicable without preliminary drying. The novel polyarylenestersulfoneketone containing from the cyclohexane and phthalasynone fragments is produced via the reaction of nucleophylic - sphenylsulfone and 4-(3,5-dimethyl-4-hydroxyphenyl)-2,3phthalasine-1-one. The polymer is described by means of IR-spectroscopy with read more..

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    148 Polymers and Polymeric Composites in which phenylene rings are connected by the oxygen bridges (simple ester) and carbonic groups (ketones). The polyarylenesterketones include polyesterketone, polyesteresterketone and others distinguishing in the se- quence of elements and ratio E/K (of ester groups to ketone ones). This ratio influences on the glassing temperature and melting point: read more..

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    Aromatic Polyesters 149 There is a lot of information available now on the structure and proper- ties of polyesteresterketones [216, 217]. The polyesteresterketone is specially designed material meeting the - mability, products combustions and chemical resistance [218, 219]. “Vic- trexR” owns the unique combination of properties: thermal characteristics and combustion parameters quite unusual read more..

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    150 Polymers and Polymeric Composites polyesteresterketone then it occurs that the least smoke is released by polyesteresterketone, while the greatest amount of smoke is produced by ABC-plastic. “VictrexR” exhibits good resistance to water reagents and pH-factor of different materials starting with 60% sulfuric acid and 50% potassium hydroxide. The polyesteresterketone dissolves only in proton read more..

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    Aromatic Polyesters 151 The chemical stability of polyesterester ketone “VictrexR” is about the The manufacture of the polyesteresterketones in Japan is organized by companies “Mitsui Toatsu Chem” under the labels “Talpa-2000”, “ICI Japan,” “Sumitoma Kogaku Koge.” The Japanese polyesteresterketones have glassing temperature 143 C and melting point 334 C [224, 225]. The read more..

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    152 Polymers and Polymeric Composites physical-mechanical properties (Table 7.4). The unreinforced polymer has polyesterester ketone. At the moment the polyesteresterketones labeled “Hostatec” are being produced with 10, 20 and 30 weight % of glass - The constructional thermoplast “Hostatec” dominates polyoxymeth- ylene, polyamide and complex polyesters on many parameters. The polyesteresterketones read more..

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    Aromatic Polyesters 153 The big attention to polyesteresterketones is paid in aircraft and space have become stricter within the last years. Unreinforced polyesteresterk- UL 94 at thickness 0.8 mm. In addition, this polymer releases few smoke and toxic substances in combustion (is used in a subway). The polyes- teresterketone is used for coating of wires and cables, used in read more..

  • Page - 178

    154 Polymers and Polymeric Composites cost of one kilogram of such polymer is 5–20 times larger than the cost of usual constructional polymers (polycarbonates, polyamides, and poly- formaldehydes). But, despite the high prices the polyesteresterketones and compositions on their basis, owing to the high level of consumer charac- production volumes is observed every year. It is known, read more..

  • Page - 179

    Aromatic Polyesters 155 The polymers synthesis is recommended to be carried out in inert gas at- - - none and bisphenolates of alkali metals and dihydroxynaphthalenes can be the monatomic phenols [251–253]. The synthesis of polyesterketones and polyesteresterketones accord- ing to the Friedel-Crafts reaction is lead in mild conditions [265–283]. So, solidifying thermo-stable aromatic read more..

  • Page - 180

    156 Polymers and Polymeric Composites The synthesis of polyesterketones based on aromatic ether acids is pos- data of 13 - esterketone comprise only the n-substituted benzene rings. When using the N-cyclohexyl-2-pyrrolidone as a solvent when synthesizing polyphen- ylenesterketones and polyphenylenethioesterketones the speed of poly- condensation and the molecular mass of polymers [288] increase. read more..

  • Page - 181

    Aromatic Polyesters 157 er bifunctional sulfur-involving compounds, and also of their mixes with different bisphenols in environment of polar organic solvents. As in case of polyesterketones, the synthesis of their thioanalogs is recommended presence of catalyst (hydroxides, carbonates and hydrocarbonates of alkali metals). The aromatic polyesterketones can also be produced by polyconden- sation read more..

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    158 Polymers and Polymeric Composites polyesterketone “Ultrapek.” It is widely used in electronics, electrician, for extrusion of tubes and pipes operating in aggressive media and at low temperatures. The polyesteresterketones and polyester ketones are used for multilayer coating as the basis of printed planes. The conservation of mechanical strength in conditions of high humidity and temperature, read more..

  • Page - 183

    Aromatic Polyesters 159 ane) in the presence of aluminum chloride is proposed in Ref. [331]. The in concentrated H 2SO4 - It is possible to produce polyketones by the reaction of aromatic di- carboxylic acid and aromatic compound containing two reactive groups [332]. The reaction is catalyzed by the mix of phosphoric acid and car- boxylic acid anhydride having the formula of read more..

  • Page - 184

    160 Polymers and Polymeric Composites produced from bisphenoxybenzophenone (0.005 mole) or isophthaloyl- chloride (0.005 mole) in 100 milliliters of 1,2-dichloroethane. Some of obtained particles have highly organized the needle-shaped structure (the whisker crystals). The use of isophthaloyl instead of terephthaloyl at the same low concentration of monomer results in formation of additionally read more..

  • Page - 185

    Aromatic Polyesters 161 It is known that the presence of bulk lateral groups essentially improves the solubility of polyketones, and also improves their thermo-stability. In (instead of chloranhydride) was used as initial material for condensation with aromatic hydrocarbons [350]. According to the Friedel-Crafts reac- tion of electrophylic substitution in variant of low-temperature precipita- read more..

  • Page - 186

    162 Polymers and Polymeric Composites the presence of bisphenyl structure in that fragment. Owing to the presence of The crystallizing carding polyarylenesterketones, in difference from amorphous ones, dissolve in organic solvents very badly, they are well soluble in concentrated sulfuric acid at room temperature and when heat- ing to boiling in m-cresol (precipitate on cooling) [354, read more..

  • Page - 187

    Aromatic Polyesters 163 There exist several reports on syntheses of polyarylketones, contain- ing bisphthalasinone and methylene [361, 362], naphthalene [363–367] links; containing sulfonic groups [368], carboxyl group in side chain Ref. - rol or n-sthylstirol [373]. It is shown that methylene and bisphthalasinone links in main chain of polyketones are responsible for its good solubility read more..

  • Page - 188

    164 Polymers and Polymeric Composites polymers leads to increasing of glass transition temperature and lowering of crystallinity degree, melting temperature and activation energy. The methyl-substituted polyarylesterketones have been produced in Ref. [375] be means of electrophylic polymerization of 4,4{}bis-(0-methylphe- noxy)bisphenylketone or 1,4-bis(4-(methylphenoxy)benzoyl)benzene with terephthaloyl or read more..

  • Page - 189

    Aromatic Polyesters 165 solution of 1,2-dichloroethane in the presence of AlCl 3 and N-methyl- 2-pyrrolidone. It has been found that with increasing content of links of - tion temperatures increase, but melting point and temperature of crystal- lization decrease. The new copolyesterketones have been produced in Ref. [384] also bisphenyl-1,1{}-diol and hydroquinone by the copolycondensation read more..

  • Page - 190

    166 Polymers and Polymeric Composites degree and the melting point of copolymers decrease while the glass tran- sition temperature increase. The temperature of 5%of copolymers mass 2). Copolymers, containing 30–40 weight % of links of I, possess higher and organic solvents. The copolymers of polyarylesterketones, containing lateral methyl groups, can be produced by low-temperature read more..

  • Page - 191

    Aromatic Polyesters 167 [397, 398]; the kinetics, thermal and liquid-crystal properties of block- copolymers have been studied. The polyarylenesterketones have been obtained [399], which contain blocks of polyarylesterketones, block of triphenylphosphite oxide and - als on their basis are used as polymer binder in thermal control coatings. using different initial compounds. n polymers. They read more..

  • Page - 192

    168 Polymers and Polymeric Composites - ter, acetonitrile, the polyketone particles of size 0.01–100 micrometers transform the polyesters by the oxidation under the peroxide agents: per- 2 2 and urea or arsenic acid [405, 406]. For increasing of basic physical-mechanical characteristics and repro- cessing, in particular of solubility, the synthesis of aromatic polyketones is lead through read more..

  • Page - 193

    Aromatic Polyesters 169 So, availing the method of high-temperature polycondensation in en- vironment of dimethylsulfoxide, the oligoketones are produced with edge hydroxyl groups with the degree of condensation 1–20 from bisphenols (diane or phenolphthalein) and dichlorbenzophenone. The condensation on the second stage is carried out at room temperature in 1,2-dichloroeth- ane in the read more..

  • Page - 194

    170 Polymers and Polymeric Composites of the degree of sulfonation. Polyestersulfoneketones gain solubility in dichloroethane, chloroform, dimethylformamide. The combination of el- ementary links of polysulfone with elementary links of polyesterketone The Refs. [424–433] report on various methods of production of poly- estersulfoneketones. The 4,4{}-bis(phenoxy)bisphenylsulfone has been synthesized by read more..

  • Page - 195

    Aromatic Polyesters 171 The block-copolyesters based on oligoesterketones and oligoestersul- fones of various degree of condensation have been produced in Ref. [430] by means of acceptor-catalyst polycondensation; the products contain simple and complex ester bonds. Polyestersulfoneketones possessing lower glassing temperatures and excellent solubility have been synthesized in Ref. [431] by means read more..

  • Page - 196

    172 Polymers and Polymeric Composites KEYWORDS • Monomers • N-oxybenzoic acid • Oligoesters • Polycondensation • Polyesters • Synthesis • Tere- and isophthalic acids REFERENCES 1. Sokolov, L. V. (1976). The Synthesis of Polymers: Polycondensation Method. Mos- cow: Himia, 332 p. [in Russian]. 2. Morgan, P. U. (1970). Polycondensation Processes of Polymers read more..

  • Page - 197

    Aromatic Polyesters 173 15. Tebbat Tom. (1975). Engineering Plastics: Wonder Materials of Expensive Polymer Plauthings Eur. Chem. News, 27, 707. 16. Stoenesou, F. A. (1981). Tehnopolimeri. Rev. Chem, 32(8), 735–759. 17. Nevskii, L. B., Gerasimov, V. D., & Naumov, V. S. (1984). In Abstracts of the All- Union Conference “Exploiting Properties of Constructional Polymer read more..

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    174 Polymers and Polymeric Composites 36. Sugijama, H., Lewis, D., & White, J. Structural Characteristics, Rheological Prop- erties, Extrusion and Melt Spinning of 60/40 Poly(Hydroxybenzoic Acidcoethylene Terephtalate). 37. Blackwell, J., Dutierrez, G., & Chivers, R. (1985). X-ray Studies of Thermotropic Copolyesters in Proceedings of the 2nd Symposium “Div. Polym. Chem. Polym. Liq. Cryst.” read more..

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    Aromatic Polyesters 175 53. Yerlikaya Zekeriya, Aksoy Serpil, & Bayramli Erdal. (2002). Synthesis and Melt Spin- ning of Fully Aromatic Thermotropic Liquid Crystalline Copolyesters Containing m- hydroxybenzoic Acid Units. J. Appl. Polym. Sci., 85(12), 2580–2587. 54. Wang Yu-Zhang, Cheng Xiao-Ting, & Ta ng Xu-Dong. (2002). Synthesis, Character- ization, and Thermal Properties of read more..

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    176 Polymers and Polymeric Composites 68. Choi Woon-Seop, Padias Anne Buyle, & Hall, H. K. (2000). LCP Aromatic Polyesters by Esterolysis Melt Polymerization. J. Polym. Sci. A, 38(19), 3586–3595. 69. Chung Tai-Shung, & Cheng Si-Xue. (2000). Ef fect of Catalysts on Thin-Film Po- lymerization of Thermotropic Liquid Crystalline Copolyester. J. Polym. Sci. A, 38(8), 1257–1269. 70. read more..

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    Aromatic Polyesters 177 83. Ishaq, M., Blackwell, J., & Chvalun, S. N. (1996). Molecular Modeling of the Struc- ture of the Copolyester Prepared from p-hydroxybenzoic Acid, Bisphenol and Tere- phthalic Acid. Polym, 37(10), 1765–1774. 84. Cantrell, G. R., McDowell, C. C., Freeman, B. D., & Noel, C. (1999). The Influence of Annealing on Thermal Transitions in a Nematic Copolyester. J. read more..

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    178 Polymers and Polymeric Composites Chemistry and Physics of Polymers in the Beginning of the 21 Century. Chernogo- lovka, Part 1. P. 1/13. [in Russian]. 98. Garbarczyk, J., & Kamyszek, G. (2000). Influence of Magnetic and Electric Field on the Structure of IPP in Blends with Liquid Crystalline Polymers. In Abstracts of the 38-th Macromolecular IUPAK Symposium. Warsaw, 3, 1195. 99. read more..

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    Aromatic Polyesters 179 112. Li Xin-Gui., Huang Mei-Rong, Guan Gui-He., & Sun Tong. (1996). Glass Transition of Thermotropic Polymers Based upon Vanillic Acid, p-hydroxybenzoic Acid, and Poly(ethyleneterephthalate). J. Appl. Polym. Sci., 59(1), 1–8. 113. Additives and Modifiers Plast. Compound, 1987–1988(4), 10, 14–16, 18, 20, 24, 26, 28, 30, 32, 34, 36, 38–40, 42–44, read more..

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    180 Polymers and Polymeric Composites 135. Stepanova, A. R. (1992). Abstracts of the Thesis for the Scientific Degree of Candidate of Chemical Sciences. Sankt–Petersburg, 24 p. [in Russian]. 136. He Xiao-Hua., & Wa ng Xia-Yu. (2002). Synthesis and Properties of Thermotropic Liquid-Crystalline Block-Copolymers Containing Links of Polyarylate and Thermo- Natur. Sci. J. read more..

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    Aromatic Polyesters 181 159. Bringer, R. P., & Morneau, G. A. (1969). Polymer 360, a New Thermoplastic Poly- Polym. Symp, (11), 189–208. 160. Andree, U. (1974). Polyarilsulfon Ein Ansergewohnliecher Termoplast Kunststof Kunststoffe, Bild. 64, (11), S. 684. 161. Giorgi, E. O. (1971). Termoplastico De Engenharia Ideal Para as Condicoes Brasilei- ras. Rev. Guim. Ind, 40(470), 16–18. 162. read more..

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    182 Polymers and Polymeric Composites 185. Mackinnon Sean, M., Bender Timothy, P., & Wa ng Zhi Yuan. (2000). Synthesis and Properties of Polyestersulfones J. Polym. Sci. A, 38(1), 9–17. 186. Khasbulatova, Z. S., Asueva, L. A., & Shustov, G. B. (2009). Polymers on the Basis of Aromatic Oligosulfones / in Chemistry and Physicochemistry of Oligomers. Volgograd, 100. [in read more..

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    Aromatic Polyesters 183 203. Magagnini, P. L., Paci, M., La Mantia, F. P., Surkova, I. N., & Va snev, V. A. (1995). Morphology and Rheology of Mixes from Sulfone and Polyester Vectra–A 950 J. Appl. Polym. Sci., 55(3), 461–480. 204. Garcia, M., Eguiazabal, J. L., & Nuzabal, J. (2004). Morphology and Mechanical Properties of Polysulfones Modified with Liquid-Crystalline read more..

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    184 Polymers and Polymeric Composites 221. Rigby Rhymer, B. (1984). Polyesteretperketone PEEK. Polymer News, 9, 325–328. 222. Attwood, T. E., Dawson, P. C., & Freeman, I. L. (1979). Synthesis and Properties of Polyarylesterketones. Amer. Chem. Soc. Polym. Prepr, 20(1), 191–194. 223. Kricheldorf, H. R., & Bier , G. (1984). New polymer synthesis 11 Preparation of Aro- matic read more..

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    Aromatic Polyesters 185 254. Process for Producing Aromatic Polyesterketones. US Patent 4638944. 255. Method for Producing Crystalline Aromatic Simple Polyesterketones. Japan Patent Application 62–7730. 256. Method for Producing Thermoplastic Aromatic Simple Polyesters. Japan Patent Ap- plication 62–148524. 257. Method for Producing Thermoplastic Polyesterketones. Japan Patent Application read more..

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    186 Polymers and Polymeric Composites 280. Method for Producing Aromatic Simple Poly(thio)Esterketones. Japan Patent Ap- plication 63–317. 281. Method for Producing Aromatic Simple Poly(thio)Esterketones. Japan Patent Ap- plication 63–316. 282. Method for Producing Polyarylesterketones. US Patent 471611. 283. Gileva, N. G., Solotuchin, M. G., & Salaskin, S. N. (1988). Synthese Von Aroma- read more..

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    Aromatic Polyesters 187 301. Aromatic Copolyketones and Method for Producing Same. Japan Patent Application 63–10627. 302. Crystalline Aromatic Polyesterketones and Method for Producing same. Japan Patent Application 61–91165. 303. Aromatic Polyesterthioesterketones and Method for Producing same. Japan Patent Application 61–283622. 304. Producing of Polyarylenoxides using Carbonates of read more..

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    188 Polymers and Polymeric Composites 329. Khasbulatova, Z. S. (1989). Diversity of Methods for Synthesizing Polyesterketones / in Abstracts of the II Regional Conference “Chemists of the Northern Caucasus–to National Economy”. Grozny, 267. [in Russian]. 330. Reimer Wolfgang. (1999). Polyarylesterketone (PAEK) Kunststoffe, Bild. 89, (10), S. 150, 152, 154. 331. Takeuchi Hasashi, read more..

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    Aromatic Polyesters 189 344. Richter Alexander, Schiemann Vera, Gunzel Berna, Jilg Boris, & Uhlich Wilfried. (2007). Verfahren Zur Herstellung Von Polyarylenesterketon Germany Patent Ap- 345. Chen Liang, Yu Youhai, Mao Huaping, Lu Xiaofeng, Yao Lei., & Zhang Wa njin. (2005). Synthesis of a new Electroactive Poly(aryl ester ketone) Polymer, 46(8), 2825–2829. 346. Maikhailin Yu. read more..

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    190 Polymers and Polymeric Composites 361. Zhang Shaoyin, Jian Xigao, Xiao Shude, Wang Huiming, & Zhang Jie. (2002). Syn- thesis and Properties of Polyarylketone Containing Bisphthalasinone and Methylene Groupings. Acta Polym. Sin, 6, 842–845. 362. Chen Lianzhou, Jian Xigao, Gao Xia., & Zhang Shouhai. (1999). Synthesis and Properties of Polyesterketones Containing Links of read more..

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    Aromatic Polyesters 191 / in “Novel Polymeric Composite Materials”: Proceedings of the 2-nd Russian Re- search-Practical Conference. Nalchik, 225–228. [in Russian]. 377. Koumykov, R. M., Bulycheva, E. G., Ittiev, A. B., Mikitaev, A. K., & Rusanov, A. L. (2008). Plast. Massy, 3, 22–24. 378. Polyester Ketone and Method of Producing the Same US Patent 7217780. Interna- 379. read more..

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    192 Polymers and Polymeric Composites eral Links, and their user at Manufacturing Proton-Exchange Membranes. Macro- molecules, 37(18), 6748–6754. 393. Mohwald Helmut, Fischer Andreas, Frambach Klaus, Hennig Ingolf, & Thate Sven. (2004). Verfahren zur Herstellung Eines Zum Protonenaustausch Befahigter Poly- mersystems Auf Der Basis Von Polyarylesterketonen Germany Patent Application 394. read more..

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    Aromatic Polyesters 193 407. Matyushov, V. F., & Golovan’ S. V. (2003). Method for Producing Non-Saturated 61/12. 408. Matyushov, V. F., & Golovan, S. V . (2003). Method for Producing Non-Saturated Oligoarylesterketones RF Patent Application 2001109440/04. International Patent 409. Matyushov, V. F., Golovan, S. V., & Malisheva, T. L. (2000). Method for Producing read more..

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    194 Polymers and Polymeric Composites 424. Wen Hong-Li., Song Cai-Sheng, Tong Yong-Fen., Chen Lie., & Liu Xiao-Ling. (2005). Synthesis and Properties of Poly(aryl ester sulfone ester ketone ketone) (PESEKK) J. Appl. Polym. Sci., 96(2), 489–493. 425. Li Wei., & Cai Ming-Zhong Ying. (2004). Chin. J. Appl. Chem, 21(7), 669–672. 426. Sheng Shou-Ri., Luo Qiu-Yan.,Yi-Huo., Luo read more..

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    CHAPTER 8 ON THERMO-ELASTOPLASTIC PROPERTIES: A CASE STUDY MARIA RAJKIEWICZ, MARCIN L CZKA, and JAKUB CZAKAJ CONTENTS Abstract ................................................................................................. 196 8.1 Introduction .................................................................................. 196 8.2 Experimental Part ......................................................................... 201 8.3 read more..

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    196 Polymers and Polymeric Composites ABSTRACT The structure and physical properties of the thermoplastic vulcanizates (TPE-V) produced in the process of the reactive processing of polypropyl- ene (PP) and ethylene-octene elastomer (EOE) in the form of alloy, using the cross-linking system was analyzed. With the DMTA, SEM and DSC it has been demonstrated that the dynamically produced read more..

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    On Thermo-Elastoplastic Properties: A Case Study 197 and structure, are a function of its type, structure and content of both phas- es, nature and value of interphase actions and manner the phases are linked in the system. The progress in the area of TPE is connected with the research oriented to improve thermal stability of the rigid phase (higher T g) and to increase read more..

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    198 Polymers and Polymeric Composites system, which, due to presence of the double bonds, may be cross-linked with conventional systems, which are of relatively low price, good con- tents miscibility and ability to be used within the temperature range 233– 408 –K [11–15]. - ment of the metallocene catalysts and their use in stereo block polymeriza- other monomers, leading to read more..

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    On Thermo-Elastoplastic Properties: A Case Study 199 are widely used in the industrial production. The grounds for distinguish- ing them are technological equipment and procedure. It is one-phase and two-phase method and a “dry silane method,” available only under license [20]. The mechanism of cross-linking PE with the cross-linking system: silane/peroxide/moisture is shown read more..

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    200 Polymers and Polymeric Composites The process of catalytic hydrolyzes of the alcoxylene groups of the grafted silane to the silane groups and, then, the catalytic condensation of the silane groups leads to production of the cross-linked structure through the siloxane groups. The hydrolyze and the condensation take place in an increased temperature with presence of the catalyst read more..

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    On Thermo-Elastoplastic Properties: A Case Study 201 8.2 EXPERIMENTAL PART 8.2.1 RAW MATERIALS Isotactic polypropylene Malen P-F401 iPP, for extrusion, made by Orlen SA; flow index 2.4–33.2 g/10 min, yield point in stretching 28.4 MPa, crystallinity level 95%. The ethylene-n-octene elastomer s EOE type Engage, synthesized according to the Insite technological process, manufactured by read more..

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    202 Polymers and Polymeric Composites The test were made aimed for determining a threshold value of content of elastomer in the iPP/EOE mixture, which was subject of the dynamic variable properties of iPP. A series of tests was made, in which the propor- tions of PP and elastomer Engage I were changed in the range 15–60%, with continuous addition of the cross-linking read more..

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    On Thermo-Elastoplastic Properties: A Case Study 203 metric analysis (TGA), electron microscopy (SEM), differential scanning calorimetry (DSC) and dynamic thermal analysis of mechanical properties (DMTA). The samples were heated in the ambient temperature in temperature thermo balance TGA manufactured by “Perkin Elmer.” Turning points were made after freezing the samples in the liquid read more..

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    204 Polymers and Polymeric Composites III, with the lowest octene content, were characterized by slightly lower variables of tensile strength (tension at the tear off), elongation and hard- ness, but by a much higher tension at the yield point and high flow index. TABLE 8.2 Selected Properties of the Dynamically Cross Linked Blends in Relations To PP/EOE Ratio Ratio PP/Engage read more..

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    On Thermo-Elastoplastic Properties: A Case Study 205 TABLE 8.3 Effect of Type of Elastomer Engage Modified With Silane A-174 on the Properties of the Dynamically Cross-Linked PP/EOE–55/45% Blends Elastomer Engage I Engage II Engage III Blend properties MFR, g/10 min 1.86 1.80 4.07 42/39 42/40 39/38 ∈ B, % 720 752 660 M, MPa 25.2 29.5 21.9 100%, MPa 11.1 12.6 11.0 y, MPa 11.1 12.6 11.1 read more..

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    206 Polymers and Polymeric Composites TABLE 8.4 Results of the Thermogravimetric Analysis of Ipp/EOE-55/45% Blend (Engage I) PL-1(Silane A-172) PL-2 (Silane A-174) Temperature, °C Decrease of weight, % Temperature, °C Decrease of weight, % 230 0.23 230 0.36 300 7.43 300 7.66 352 25.97 378 54.36 363 40.06 405 89.63 430 94.05 426 94.36 of temperature caused the progressive degradation process. read more..

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    On Thermo-Elastoplastic Properties: A Case Study 207 In Fig. 8.5, course of changes of the storage modulus E,’ loss modulus content of 85/15, 70/30 and 55/45% in relation to temperature has been shown. For iPP/EOE blends two, clear relaxation transitions in the range of glass transition are visible, near glass points of iPP and EOE. FIGURE 8.5 The dynamic mechanical read more..

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    208 Polymers and Polymeric Composites that here the phenomena such, as degradation of iPP in conditions of the high-temperature processing change of semicrystal structure of iPP may have occurred. In order to compare the properties of iPP/Engage I blend with content of 55/45%, produced with periodical method and in the one-stage or two-stage continuous process, a series of read more..

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    On Thermo-Elastoplastic Properties: A Case Study 209 Properties PP TE-1 (Silane A-174) TE-2 (Silane A-172 Properties PP TE-1 (Silane A-174) TE-2 (Silane A-172 Tensile shear modulus, MPa 1455 476 430 Bending strength, MPa 39.6 13.0 10.4 Tensile bending modulus, MPa 1499 504 415 Young modulus, MPa 1520 515 502 50.5 38 38 Izod notched impact strength, kJ/m2 3.16 46.7 43.0 8.4 CONCLUSIONS The conducted read more..

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    210 Polymers and Polymeric Composites KEYWORDS • Ethylene-octane • Polypropylene • Thermoplastic composites REFERENCES 1. Rzymski, W., & Radusch, H. J. (2002). Polimery, 47, 229. 2. Spontak, J. Richard, & Patel Nikunj, P. (2000). Current Opinion in Colloids and Inter- face. Science, 5, 333. 3. Rzymski, W., & Radusch, H. J. (2005). Polimery, 50 , 247. 4. Radusch, H. J., read more..

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    CHAPTER 9 CONTENTS Abstract ................................................................................................. 212 9.1 Introduction .................................................................................. 212 9.2 Material Modeling Methods ........................................................ 215 9.3 Carbon Nano Tubes (CNT): Structure and Properties ................. 229 9.4 Simulation of CNT’s Mechanical read more..

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    212 Polymers and Polymeric Composites ABSTRACT In this chapter, new trends in computational chemistry and computational mechanics for the prediction of the structure and properties of CNT mate- rials are presented simultaneously. 9.1 INTRODUCTION It has been known that the mechanical properties of polymeric materi- als like stiffness and strength can be engineered by producing composites read more..

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    Modeling, Simulation, Performance and Evaluation 213 CNT’s and CNT’s nanocomposite properties. Because of the huge cost and technological difficulties associated with experimental analysis at the scale of nano, researchers are encouraged to employ computational meth- ods for simulating the behavior of nanostructures like CNTs from different mechanical points of view. To promote the read more..

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    214 Polymers and Polymeric Composites FIGURE 9.1 Different length and time scale used in determination mechanical properties of polymer nano-composite. FIGURE 9.2 Diagram of material modeling methods. read more..

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    Modeling, Simulation, Performance and Evaluation 215 9.2 MATERIAL MODELING METHODS There are different of modeling methods currently used by the researches. They plan not only to simulate material behavior at a particular scale of in- terest but also to assist in developing new materials with highly desirable properties. These scales can range from the basic atomistic to the much read more..

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    216 Polymers and Polymeric Composites involve the solution of Schrödinger’s equation for each electron, in the self-consistent potential created by the other electrons and the nuclei. Ab initio methods can be applied to a wide range of systems and properties. However, these techniques are computationally exhaustive, making them widely used procedures in Ab initio simulation. These read more..

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    Modeling, Simulation, Performance and Evaluation 217 No mass changes in the system. Equivalently, the number of atoms in the system remains the same. The atomic position, velocities, and accelerations of individual par- ticles that vary with time. The described by track that MD simulation gen- erates and then used to obtain average value of system such as energy, pressure and read more..

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    218 Polymers and Polymeric Composites (2) The first four terms represent bonded interactions, that is, bond stretching U bond, bond-angle bend U angle, dihedral angle torsion U torsion and inversion interaction. U inversion.Vander Waals energy U vdw and electrostatic energy U electrostatic are nonbonded interactions. In the equation,are the positions of the atoms or total numbers read more..

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    Modeling, Simulation, Performance and Evaluation 219 (5) The varlet algorithm is probably the most widely used method. It uses the positions and accelerations at time t, and the positions from the previous step (t– ) to calculate the new positions at , so: (6) (7) (8) The velocities at time t and can be, respectively estimated. (9) read more..

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    220 Polymers and Polymeric Composites The physical problem is translated into an analogous probabilistic or statistical model. The probabilistic model is solved by a numerical stochastic sam- pling experiment. The obtained data are analyzed by using statistical methods. Athwart MD which provides information for nonequilibrium as well as equilibrium properties, MC gives only the information read more..

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    Modeling, Simulation, Performance and Evaluation 221 by arbitrarily chosen and it can be exchanged by an atom of a different kind. This method affects the chemical composition of the system and the move is accepted with a certain probability. However, the energy, U, will be changed by change in composition. < 0, the move of compositional change is accepted. However, if read more..

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    222 Polymers and Polymeric Composites the external forces acting on the medium and the resulting internal stress and strain. Computational approaches range from simple closed-form ana- lytical expressions to micromechanics and complex structural mechanics calculations based on beam and shell theory. In this section, we introduce some continuum methods that have been used in polymer read more..

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    Modeling, Simulation, Performance and Evaluation 223 One a representative volume element is chosen, proper boundary con- ditions are prescribed. Ideally, these boundary conditions must represent the in situ state of stress and strain within the composite. That is, the pre- scribed boundary conditions must be the same as those if the representa- tive volume element were actually in the read more..

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    224 Polymers and Polymeric Composites (18) (19) The composite density calculated as follows: (20) (21) These equations can be used to determine the void fraction: (22) The mass fraction of fibers can be measured by removing the matrix. Based on the first concept, the linear elasticity, the linear relationship be- tween the total stress and infinitesimal read more..

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    Modeling, Simulation, Performance and Evaluation 225 (26) Because of no stress is transmitted in the voids, in and so: (27) Where is composite average stress, is fibers average stress and is matrix average stress. Similarly to the composite stress, the composite strain is defined as the volume average strain, and is obtained as: (28) Despite the read more..

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    226 Polymers and Polymeric Composites (33) Finally, the average composite stiffness can be calculated from the strain concentration tensor A and the reinforcement and matrix properties: (34) 9.2.2.1.2 HALPIN–TSAI MODEL Halpin-Tsai theory is used for prediction elastic modulus of unidirectional composites as function of aspect ratio. The longitudinal stiffness, E 11 and transverse read more..

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    Modeling, Simulation, Performance and Evaluation 227 (38) 9.2.2.1.3 MORI– TANAKA MODEL The Mori-Tanaka model is uses for prediction an elastic stress field for in and around an ellipsoidal reinforcement in an infinite matrix. This method is based on Eshebly’s model. Longitudinal and transverse elastic modulus, E 11 and E 22, for isotropic matrix and directed spherical read more..

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    228 Polymers and Polymeric Composites of numerical method that can be used for solving continuum partial differ- ential equation, the most popular being the finite element method (FEM). solution to a system of partial differential equations the FEM proceeds by dividing the continuum into a number of elements, each connected to the next by nodes. This discretization process converts read more..

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    Modeling, Simulation, Performance and Evaluation 229 u, v and z directions, is achieved using shape function [N] for each ele- ment, such that the total potential energy becomes: (44) where [B] is the matrix containing the derivation of the shape function, and [d] is a vector containing the displacements. 9.3 CARBON NANO TUBES (CNT): STRUCTURE AND PROPERTIES A read more..

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    230 Polymers and Polymeric Composites 9.3.1.1 SINGLE-WALLED CARBON NANOTUBE SWNTs have a diameter of near to 1nanometerand tube length of longer than 109 times. The structure of a SWNT can be explained by wresting a graphene into a seamless cylinder. The way the graphene is wrested is de- picted by a pair of indices (n, m). The integer’s n and m indicate the num- read more..

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    Modeling, Simulation, Performance and Evaluation 231 SWNTs are an important kind of carbon nanotube due to most of their properties change considerably with the (n, m) values, and according to Kataura plot, this dependence is unsteady. Mechanical properties of single SWNTs were predicted remarkable by Quantum mechanics calcu- lations as Young’s modulus of 0.64–1 TPa, Tensile read more..

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    232 Polymers and Polymeric Composites 9.3.2 CNT PROPERTIES 9.3.2.1 STRENGTH In terms of strength, tensile strength and elastic modulus are explained and it has not been discovered any material as strong as carbon nanotubes yet. CNTs due to containing the single carbon atoms, having the covalent sp2 bonds formed between them and they could resist against high tensile stress. Many read more..

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    Modeling, Simulation, Performance and Evaluation 233 9.3.2.3 ELECTRICAL PROPERTIES Because of the regularity and exceptional electronic structure of graphene, the structure of a nanotube affects its electrical properties strongly. It has been concluded that for a given (n, m) nanotube, while , the nanotube is metallic; if is a multiple of 3, then the nanotube is semiconduct- ing read more..

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    234 Polymers and Polymeric Composites heptagon pair by reorganization of the bonds. Having small structure in carbon nanotubes lead to dependency of their tensile strength to the weak- est segment. Also, electrical properties of CNTs can be affected by crystallographic defects. A common result is dropped conductivity through the defective section of the tube. A defect in read more..

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    Modeling, Simulation, Performance and Evaluation 235 laser to produce a variety of metal molecules. When they noticed the ex- istence of nanotubes they substituted the metals with graphite to produce multiwalled carbon nanotubes. In the next year, the team applied a com- posite of graphite and metal catalyst particles to synthesize single walled carbon nanotubes. In laser ablation read more..

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    236 Polymers and Polymeric Composites a process to develop aligned carbon nanotube arrays of 18 mm length on a First Nano ET3000 carbon nanotube growth system. In CVD method, a substrate is prepared with a layer of metal catalyst particles, most usually iron, cobalt, nickel or a combination. The metal nanoparticles can also be formed by other ways, including reduction of read more..

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    Modeling, Simulation, Performance and Evaluation 237 lifetime of the catalyst. Dense millimeter tall nanotube forests, aligned normal to the substrate, were created. The forests expansion rate could be extracted, as: (46) - time. 9.4 SIMULATION OF CNT’S MECHANICAL PROPERTIES 9.4.1 MODELING TECHNIQUES The theoretical efforts in simulation of CNT mechanical properties can be categorized read more..

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    238 Polymers and Polymeric Composites In spite the MD and MC methods depend on the potentials that the forces acting on atoms by differentiating inter atomic potential functions, the Ab initio techniques are accurate methods which are based on an accu- rate solution of the Schrödinger equation. Furthermore, the Ab initio tech- niques are potential-free methods wherein the atoms forces are read more..

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    Modeling, Simulation, Performance and Evaluation 239 nonshallow structure. Only more complex shell is capable of reproducing the results of MD simulations. in the continuum mechanics. For instance, value of 0.34 nm, which is in- terplanar spacing between graphene sheets in graphite, is widely used for tube thickness in many continuum models. - via phenomenological models. The method is read more..

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    240 Polymers and Polymeric Composites The equivalent continuum method developed by providing a correla- tion between computational chemistry and continuum structural mechan- ics. It has considered being equal total molecular potential energy of a nanostructure with the strain energy of its equivalent continuum elements. This method has been proposed for developing structure-property rela- read more..

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    Modeling, Simulation, Performance and Evaluation 241 FIGURE 9.5 Atomistic bond interaction mechanisms. read more..

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    242 Polymers and Polymeric Composites FIGURE 9.6 Schematic interaction for carbon atoms. The nonbonded interaction energies consist of Vander Waalsand elec- trostatic, terms. Depending on the type of material and loading conditions various functional forms may be used for these energy terms. In condition - sure, quantum mechanical calculations can be a source of information for In read more..

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    Modeling, Simulation, Performance and Evaluation 243 atoms. This mechanical representation of the lattice behavior serves as an intermediate step in linking the molecular potential with an equivalent- continuum model. In the truss model, each truss element represented a chemical bond or a nonbonded interaction. The stretching potential of each bond corresponds with the stretching of the read more..

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    244 Polymers and Polymeric Composites where, and are the cross-sectional area and Young’s modulus, respec- tively, of rod m of truss member type n. The term is the stretching of rod m of truss member type n, where and are the undeformed and deformed lengths of the truss elements, respectively. In order to represent the chemical behavior with the truss model, Eq. read more..

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    Modeling, Simulation, Performance and Evaluation 245 TABLE 9.1 MD Methods for Prediction Young’ Modulus of CNT Researchers Year Method Young’s modulus (TPa) Results Liew et al. [1] 2004 Second generation reactive of empirical bond-order (REBO) 1.043 Examining the elastic and plastic properties of CNTs under axial tension H. W. Zhang [2] 2005 Modified Morse Po- tentials and read more..

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    246 Polymers and Polymeric Composites TABLE 9.2 Continuum Simulation Methods for Prediction Young’ Modulus of CNT Researchers Year Method Young’s modulus (TPa) Results Sears and Batra [7] 2004 Equivalent con- tinuum tube 2.52 Results of the molecular- mechanics simulations of a SWNT is used to derive the thickness and values of the two elastic modulus of an isotropic linear elastic read more..

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    Modeling, Simulation, Performance and Evaluation 247 TABLE 9.3 Nano-scale Continuum Methods for Prediction Young’ Modulus of CNT Researchers Year Method Young’s modulus (TPa) Results Li and Chou [13] 2003 Computational model using beam element and nonlin- ear truss rod element 1.05 ± 0.05 Studying of elastic behavior of MWCNTs and investigating the influence of diameter, chirality and read more..

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    248 Polymers and Polymeric Composites Jalalahmadi and Naghdabadi [18] 2007 Finite element modeling employing beam element based on Morse potential 3.296, 3.312, 3.514 Predicting Young’s modulus utilizing FEM and Morse potential to obtain mechanical properties of beam elements, Moreover investigating of wall thickness, diameter and chirality effects on Young’s modulus of SWCNT Meo and Rossi read more..

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    Modeling, Simulation, Performance and Evaluation 249 Avila and Lacerda [22] 2008 FEM using 3D beam element to simulate C–C bond 0.95–5.5 by altering the CNT radius Construct- ing SWCNT (armchair, zigzag and chiral) Model based on mo- lecular mechanic and evaluating its Young’s modulus and Poisson’s ratio Wernik and Meguid [23] 2010 FEM using beam element to model the read more..

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    250 Polymers and Polymeric Composites 9.5.1 BUCKLING BEHAVIOR OF CNTS One of the technical applications on CNT related to buckling properties is the ability of nanotubes to recover from elastic buckling, which allows them to be used several times without damage. One of the most effec- tive parameters on buckling behaviors of CNT on compression and tor- sion is chirality that read more..

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    Modeling, Simulation, Performance and Evaluation 251 behavior of CNTs using molecular dynamic simulation under pure short- ening and twisting. Ghavamian and Öchsner [43] were analyzed the effect of defects on the buckling behavior of single and multiwalled CNT based on FE method considering three most likely atomic defects including impurities, vacan- cies (carbon vacancy) and introduced read more..

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    252 Polymers and Polymeric Composites TABLE 9.4 MD Simulation of CNT Buckling Resear chers Y ear Method Chairality Length (nm) Diameter (nm) Results W ang et al. [30] 2005 Te rsof f–Brenner po- tential (n,n)(n,0) 7–19 0.5–1.7 Obtaining critical stresses and comparing be- tween the buckling behavior in nano and macro- scopic scale Sears and Batra [45] 2006 MM3 class II pair wise read more..

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    Modeling, Simulation, Performance and Evaluation 253 TABLE 9.5 Continuum Simulation of CNT Buckling Resear chers Y ear Method C hairality Length (nm) Diame- ter (nm) Results He et al. [48] 2005 Continuum cylindri- cal shell — Establishing an algorithm for buck- ling analysis of multi-walled CNT s based on derived formula which con- sidering V an der W aals interaction between any two read more..

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    254 Polymers and Polymeric Composites TABLE 9.6 Nano-scale Continuum Simulation of CNT Buckling Resear chers Y ear Method Chairality Length (nm) Diameter (nm) Results Li and Chou [54] 2004 Molecular structural mechanics with 3D space frame-like structures with beams (3,3)(8,8) (5,0)(14,0) — 0.4–1.2 Buckling behaviors under either compression or bending for both single-and double- walled CNT s Chang read more..

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    Modeling, Simulation, Performance and Evaluation 255 using accurate theoretical model to acquire natural frequencies and mode shapes, the elastic modulus of CNTs can be calculated indirectly. Timoshenko’s beam model used by Wang et al. [60] for free vibrations over predicted by the Euler’s beam theory when the aspect ratios are small and when considering high vibration modes. read more..

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    256 Polymers and Polymeric Composites developed an elastic rod model based on local and nonlocal rod theories to investigate the small scale effect on the axial vibrations of SWCNTs. The vibration properties of two and three functioned of carbon nano- tubes considering different boundary conditions and geometries were stud- ied by Fakhrabadi et al. [67]. The results show that the read more..

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    Modeling, Simulation, Performance and Evaluation 257 The performed investigations on the simulation of vibrations properties it can be seen 5–7, 5–8, and 5–9, the majority of investigations used con- tinuum modeling and simply replaced a CNT with hollow thin cylinder to study the vibrations of CNT. This modeling strategy cannot simulate the real behavior of CNT, since the read more..

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    258 Polymers and Polymeric Composites TABLE 9.7 MD Methods for Prediction V ibrational Properties of CNT Resear chers Y ear Method C hairality Aspect ratio (L/D) Results Gupta and Batra [77] 2008 MM3 potential Nineteen armchair , zigzag, and chiral SWCNT s have been discussed 15 Axial, torsion and radial breathing mode (RBM) vibrations of free–free unstressed SWCNT s and identifying read more..

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    Modeling, Simulation, Performance and Evaluation 259 TABLE 9.8 Continuum Methods for Prediction V ibration Properties of CNT s Researchers Y ear Method Chairality Aspect ratio (L/D) Results W ang et al. [60] 2006 T imoshenko beam theory 0 10, 30, 50, 10 Free vibrations of MWCNT s using T imoshenko beam Sun and Liu [80] 2007 Donnell’ s equilibrium equation —— V ibration characteristics read more..

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    260 Polymers and Polymeric Composites TABLE 9.9 Nano-scale Continuum Modeling Simulation for Prediction V ibration Properties of CNT s Resear chers Y ear Method Chairality Aspect ratio (L/D) Results Geor gantzinos et al. [84] 2008 Numerical analysis based on atomis- tic microstructure of nanotube by us- ing linear spring element Armchair and zigzag V arious as- pect ratio Investigating vibration read more..

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    Modeling, Simulation, Performance and Evaluation 261 question. Moreover, it was extensively observed that almost all properties of CNTs (mechanical, buckling, vibrations and thermal properties) depend on the chirality of CNT; thus continuum modeling cannot address this im- portant issue. Recently, nano-scale continuum mechanics methods are developed as computationally intensive like atomistic read more..

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    262 Polymers and Polymeric Composites is incapable to capture the length dependent critical strains for CNTs with small aspect ratios (i.e., L/d < 8). On the other hand, Sanders shell theory is accurate in predicting buckling strains and mode shapes of axially com- pressed CNTs with small aspect ratios. From the dynamic analysis point of view, the replacement of CNT with read more..

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    Modeling, Simulation, Performance and Evaluation 263 6. Ranjbartoreh Ali Reza, & Wa ng Guoxiu. (2010). Molecular Dynamic Investigation of Mechanical Properties of Armchair and Zigzag Double-Walled Carbonnanotubes Under Various Loading Conditions. Phys. Lett. A, 374, 969–974. 7. Sears, A. & Batra, R. C. (2004). Macroscopic Properties of Carbon Nanotubes from Molecular-Mechanics Simulations. Phys. read more..

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    264 Polymers and Polymeric Composites 24. Shokrieh Mahmood, M. & Rafiee Roham. (2010). Prediction of Y oung’s Modulus of Graphene Sheets and Carbon Nanotubes Using Nanoscale Continuum Mechanics Ap- proach. Mater Des, 31, 790–795. 25. Lu Xiaoxing, Hu Zhong. (2012). Mechanical Property Evaluation of Single-Walled Carbon Nanotubes by Finite Element Modeling. Composites Part B, 43, read more..

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    Modeling, Simulation, Performance and Evaluation 265 42. Silvestre Nuno, Faria Bruno, & Canongia Lopes José N. (2012). A Molecular Dynam- ics Study on the Thickness and Post-Critical Strength of Carbon Nanotubes. Compos Struct., 94, 1352–1358. 43. Ghavamian Ali, & Öchsner Andreas. (2012). Numerical Investigation on the Influence of Defects on the Buckling Behavior of Single-and read more..

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    266 Polymers and Polymeric Composites 60. Wang, C. M., Tan, V. B. C. & Zhang, Y. Y. (2006). Timoshenko Beam Model for Vibra- tion Analysis of Multi-Walled Carbon Nanotubes. J. Sound Vib., 294, 1060–1072. 61. Hu Yan-Gao, Liew, K. M. & Wa ng, Q. (2012). Modeling of Vibrations of Carbon Nanotubes. Proc. Eng., 31, 343–347. 62. Li, C. & Chou, T. W. (2003). read more..

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    Modeling, Simulation, Performance and Evaluation 267 79. Ansari, R., Ajori, S. & Arash, B. (2012). Vi brations of Single- and Double-Walled Car- bonnanotubes with Layer-Wise Boundary Conditions: a Molecular Dynamics Study. Curr. Appl. Phys., 12, 707–711. 80. Sun, C. & Liu, K. (2007). Vi bration of Multi-Walled Carbon Nanotubes with Initial Axialloading. Solid State Commun., 143, read more..

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