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Macromolecular Theory and Simulations is a peer-reviewed journal published by Wiley, covering Advanced Polymer Synthesis and Characterization, Polymer crystallization and properties, Material Dynamics and Properties.
| Publisher | Wiley |
|---|---|
| Reference style | Author–year (Chicago) Author–year — (Smith, 2023) in the text Smith, Ada, Ben Jones, and Cara Lee. 2023. "A Representative Article Title." Macromolecular Theory and Simulations 12 (3): 45–58.
Formats any DOI in Macromolecular Theory and Simulations style. No sign-up. |
| Publishes research in | Advanced Polymer Synthesis and Characterization Polymer crystallization and properties Material Dynamics and Properties Block Copolymer Self-Assembly Rheology and Fluid Dynamics Studies |
| ISSN | 1022-1344 |
| Citation impact (2-yr) | 1.22 |
| h-index | 65 |
| i10-index | 897 |
| Total citations | 30,580 |
| Article processing charge | $4,020 |
| Top institutions publishing here | Max Planck Institute for Polymer Research |
| Journal website | onlinelibrary.wiley.com |
| You get | A submission-ready PDF and the editable LaTeX source — ready to submit. |
Citations each year’s papers have accumulated so far — the most recent years are still building up.
Atomistic molecular modeling techniques have proven to be a very useful tool for the investigation of the structure and dynamics of dense amorphous membrane polymers and of transport processes in these materials. As illustrations, the results of extensive atomistic molecular dynamics investigations on the transport of different small molecules in flexible chain rubbery and stiff…
Abstract This article describes the development of a comprehensive solver for the differential equations arising from the modeling of molecular weight distributions in polyreactions. Based on a series of numerical developments, the software package P REDICI combines new directions in mathematics, chemical computing and implementation. The algorithm is based on a so‐called discrete Galerkin h‐p‐method,…
Careful simulations of conversion vs. time plots and full molecular weight distributions have been performed using the PREDICI® program package in conjunction with the kinetic scheme suggested by the CSIRO group for the reversible addition fragmentation chain transfer (RAFT) process to probe RAFT agent mediated polymerizations. In particular, conditions leading to inhibition and rate retardation…
Abstract A plethora of models have been developed quantifying the effect of diffusion‐controlled phenomena on polymerization reactions. The most prominent approaches are reviewed here, including innovative ones that have emerged over the last decade. Free‐radical and step‐growth polymerizations are considered in a way to show that similar models have been used in both mechanisms. In…
A model for the description of the combined process of quiescent and flow-induced crystallization of polymers is presented. The model allows to predict in detail the spatial distribution of the crystalline structure in semi-crystalline products. Based on this structure, the final mechanical properties, shape and dimension stability of those products can be modeled. For quiscent…
