LEADER 05145nam 2200661Ia 450 001 9910449850803321 005 20200520144314.0 010 $a1-280-22604-8 010 $a9786610226047 010 $a1-904602-32-0 035 $a(CKB)1000000000001638 035 $a(EBL)202445 035 $a(OCoLC)212816638 035 $a(SSID)ssj0000278117 035 $a(PQKBManifestationID)11225407 035 $a(PQKBTitleCode)TC0000278117 035 $a(PQKBWorkID)10242972 035 $a(PQKB)10151215 035 $a(PQKBManifestationID)16032384 035 $a(PQKB)21206691 035 $a(MiAaPQ)EBC202445 035 $a(Au-PeEL)EBL202445 035 $a(CaPaEBR)ebr10064333 035 $a(CaONFJC)MIL22604 035 $a(EXLCZ)991000000000001638 100 $a20030404d2003 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 10$aComputational materials science of polymers$b[electronic resource] /$fAndrey Aleksandrovich Askadskii 210 $aCambridge [England] $cCambridge International Science Pub.$d2003 215 $a1 online resource (711 p.) 300 $aDescription based upon print version of record. 311 $a1-898326-62-2 320 $aIncludes bibliographical references and index. 327 $aPREFACE; INTRODUCTION; Chapter I. Brief information on types of polymers and their chemical structure; Chapter II. Packing of macromolecules and polymer density; II.1. Increments method and basic physical assumptions; II.2. Relationship between free volume of polymers, coefficient of molecular packing and porous structure; Chapter III. Temperature coefficient of volumetric expansion; Chapter IV. Glass transition temperature of polymers; IV.1. Thermomechanical and other methods of evaluation of the glass transition temperature of polymers; IV.2. Mechanism of glass transition 327 $aIV.3. Calculation of the glass transition temperature of linear polymersIV.4. Influence of plasticization on the glass transition temperature of polymers; IV.5. Calculation of the glass transition temperature of polymer networks; Chapter V. Temperature of transition into the viscous flow state for amorphous polymers; V.1 Estimation of temperature of transition into the viscous flow state of polymers; V.2 Dependence of Newtonian viscosity on molecular mass of polymer in a wide range of its change; Chapter VI. Melting point of polymers 327 $aChapter VII. Temperature of onset of intense thermal degradation of polymersChapter VIII. Optical and opto-mechanical properties of polymers; VIII.1 Refractive index; VIII.2 Stress-optical coefficient; Chapter IX. Dielectric constant of polymers and organic solvents; Chapter X. Equilibrium rubbery modulus for polymer networks; X.1 Calculations of the equilibrium modulus; Chapter XI. Description of relaxation processes in polymers; XI.1 Stress relaxation; XI.2 Sorption and swelling processes; Chapter XII. Solubility of polymers 327 $aXII.1 Specific cohesive energy of organic liquids and polymers Hildebrand solubility parameterXII.2 Solubility criterion; XII.3 Influence of molecular mass and degree of macromolecule orientation on solubility; Chapter XIII. Surface properties of organic liquids and polymers; XIII.1. Surface tension of organic liquids; XIII.2. Surface tension of polymers; Chapter XIV. Miscibility of polymers; Chapter XVI. Thermophysical properties of polymers; XVI.1 Heat capacity; XVI.2 Thermal diffusivity and heat conductivity 327 $aChapter XVII. Molecular design and computer synthesis of polymers with predetermined propertiesAppendix 1. Examples of solution of direct problems of polymer synthesis; Appendix 2. Examples of solving the reverse problem of polymer synthesis; Appendix 3. The example of solving the complex problem ... analysis of the chemical structure of phenol formaldehyde resin; Appendix 4. Application of the approach to multicomponent copolymers; Appendix 5. Influence of strong intermolecular interaction occurring between two dissimilar polymers on their miscibility 327 $aAppendix 6. On formation of super-molecular structures in amorphous polymers 330 $aAn approach to the quantitative analysis of the effect of the chemical structure of linear and network polymers on their properties is described. The approach is based on the representation of the repeating unit of the polymer in the form of a set of anharmonic oscillators which describe the thermal motion of atoms in the field of intra- and intermolecular forces, including weak dispersion forces, dipole-dipole interactions, hydrogen and valency bonds. 606 $aPolymers$xMathematical models 606 $aPlastics 608 $aElectronic books. 615 0$aPolymers$xMathematical models. 615 0$aPlastics. 676 $a668.9 700 $aAskadskii?$b A. A$g(Andrei? Aleksandrovich)$0865207 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910449850803321 996 $aComputational materials science of polymers$91931120 997 $aUNINA