Simulation of the RAFT polymerization in 3D: steric restrictions and incompatibility between species
Alexey A. Gavrilov, Alexander V. Chertovich
Abstract
RAFT polymerization model for dissipative particle dynamics is developed. The question of how to choose parameters for the model is discussed. The incompatibility between the species is shown to have a dramatic effect on the polymerization results.
Topics & Concepts
Dissipative particle dynamicsPolymerizationRaftReversible addition−fragmentation chain-transfer polymerizationSteric effectsDissipative systemChemistryChain transferPolymer chemistryPolymerRadical polymerizationThermodynamicsPhysicsOrganic chemistryAdvanced Polymer Synthesis and CharacterizationBlock Copolymer Self-AssemblyPolymer Surface Interaction Studies