Macromolecular Theory and Simulations
SCOPUS (1992-2023)SCIE-ISI
1521-3919
1022-1344
Đức
Cơ quản chủ quản: WILEY-V C H VERLAG GMBH , Wiley-VCH Verlag
Lĩnh vực:
Condensed Matter PhysicsPolymers and PlasticsOrganic ChemistryMaterials ChemistryInorganic Chemistry
Các bài báo tiêu biểu
Modelling free‐radical copolymerization kinetics—evaluation of the pseudo‐kinetic rate constant method, 1. Molecular weight calculations for linear copolymersAbstract The moment equations for binary copolymerization in the context of the terminal model have been solved numerically for a batch reactor operating over a wide range of conditions. Calculated number‐ and weight‐average molecular weights were compared with those found using pseudo‐kinetic rate constants with the method of moments and with the instantaneous prop... ... hiện toàn bộ
Tập 2 Số 3 - Trang 421-454 - 1993
Modelling free‐radical copolymerization kinetics—evaluation of the pseudo‐kinetic rate constant method, 2. Molecular weight calculations for copolymers with long chain branchingAbstract The full moment equations and equations using pseudo‐kinetic rate constants for binary copolymerization with chain transfer to polymer in the context of the terminal model have been developed and solved numerically for a batch reactor operating over a wide range of conditions. Calculated number‐ and weight‐average molecular weights (M̄n ... ... hiện toàn bộ
Tập 2 Số 3 - Trang 455-483 - 1993
Monte Carlo Simulation of Degradation of Porous Poly(lactide) Scaffolds, 1Abstract Summary: Monte Carlo method was used to simulate the degradation of porous PLA scaffolds. The simulated volume was assumed to be divided homogeneously between the pore and solid PLA with the ratio equal to the bulk porosity of the scaffold. The volume was divided into surface and bulk elements where the surface elements were in direct...
Tập 15 Số 9 - Trang 643-653 - 2006
Size‐Dependent Melting Temperature of PolymersAbstract A general model for all kinds of size‐dependent melting points, free of any adjustable parameter, is extended to illustrate the size‐dependence of the melting temperature of polyethylene (PE). The model prediction for the depression of the melting temperature of PE is consistent with the calorimetric experimental results as shown in the Figure where the mel... ... hiện toàn bộ
Tập 12 Số 1 - Trang 57-60 - 2003
Predictors of Cavitation in Glassy Polymers under Tensile Strain: A Coarse‐Grained Molecular Dynamics InvestigationAbstract The nucleation of cavities in a homogeneous polymer under tensile strain is studied in a coarse‐grained MD simulation. To establish a causal relation between local microstructure and the onset of cavitation, a detailed analysis of some local properties is presented. In contrast to common assumptions, the nucleation of a cavity is neither correlated to a loc... ... hiện toàn bộ
Tập 20 Số 9 - Trang 826-836 - 2011
Simulation of free radical addition reactions modified by the presence of cobalt macrocyclesAbstract Free radical addition reactions in the presence of cobaloximes and related compounds have been modelled. Several mechanisms are presented and similarities with the “persistent radical effect” noted by Daikh and Finke are discussed. Cobaloximes and salophen hiện toàn bộ
Tập 4 Số 1 - Trang 195-208 - 1995
Influence of micromixing on the free‐radical polymerization in a discontinuous processAbstract With the help of a simple reaction‐diffusion model with constant striation thickness the influence of micromixing on free‐radical polymerization was investigated for several test reactions with discontinuous prepolymerization and jerky addition of selected reactants. Monomer conversion or mean values of molar mass and chemical composition cannot be expected... ... hiện toàn bộ
Tập 3 Số 5 - Trang 855-883 - 1994
Toward a General Methodology for Modeling Diffusive-Controlled Reactions in Free Radical Polymerization
Tập 25 Số 1 - Trang 28-44 - 2016