Macromolecular Theory and Simulations
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Recently Published Articles
- Cell Dynamic Simulations of Diblock Copolymer/Colloid Systems
Javier Díaz, Marco Pinna, Andrei V. Zvelindovsky, Adelchi Asta and Ignacio Pagonabarraga
Version of Record online: 29 AUG 2016 | DOI: 10.1002/mats.201600050
Cell Dynamic Simulation combined with Brownian Motion are used to describe a mixture of block copolymer and nanoparticles, respectively. The changes in the morphology of the matrix are studied when including colloids, as well as its assembly depending on their size and affinity with one of the blocks. Several experiments are reproduced.
- Effects of Blockiness and Polydispersity on the Phase Behavior of Random Block Copolymers
Gordon Vanderwoude and An-Chang Shi
Version of Record online: 23 AUG 2016 | DOI: 10.1002/mats.201600044
A generic model of random block copolymers is developed, in which each chain is modeled as a series of segments, the sequences of which are drawn from a distribution. The model is used to study the effects of blockiness and compositional dispersity on the phase behavior.
- Molecular Weight Distribution of Core Cross-Linked Star Polymers
Version of Record online: 22 AUG 2016 | DOI: 10.1002/mats.201600037
General analytic formulas for the number- and weight-average molecular weights of the core cross-linked star polymers, applicable to any type of arm and core polymer distributions, are proposed. The method to extract important structural information from the experimentally measurable quantities is discussed for the arm-first method. The full molecular weight distribution profile can be estimated by using the Monte Carlo simulation method.
- Selective Adsorption of Aqueous Phase Co-Oligomers on Latex Particles Part 1: Influence of Different Initiator Systems
Pooja Daswani and Alex van Herk
Version of Record online: 22 AUG 2016 | DOI: 10.1002/mats.201600047
Experimental determination of co-oligomer composition in the aqueous phase of an emulsion copolymerization as determined with MALDI-ToF MS. The diagram shows an experimentally determined chemical composition distribution with superimposed model description on how the selective adsorption of co-oligomers relates to solubility and surface activity.
- You have full text access to this OnlineOpen articleRandom Graph Approach to Multifunctional Molecular Networks
Ivan Kryven, Jorien Duivenvoorden, Joen Hermans and Piet D. Iedema
Version of Record online: 8 AUG 2016 | DOI: 10.1002/mats.201600052
An elegant, topology-based, model describing assembly of polymer networks is presented. The model combines such concepts as random graphs, centrality measures, shortest path, clustering, modularity, etc. It is shown that heterogeneous structures may appear spontaneously for certain parameter values. The drying of linseed oil is chosen to introduce the concepts.