Directed diffusion approach for preparing atomistic models of crosslinked epoxy for use in molecular simulations

Macromolecular Theory and Simulations

Volumn 21, Issue 5, 2012, Pages 322-327

  Khare, Ketan S ^a   Khare, Rajesh ^a  

^a Department of Electrical and Computer Engineering   (United States)

Author keywords

crosslinking; epoxy; glass transition; molecular dynamics; simulations

Indexed keywords

ATOMISTIC MODELS; CROSS-LINKERS; CROSSLINKED; DIRECTED DIFFUSION; EPOXY; EQUILIBRIUM VALUE; EXPERIMENTAL DATA; MOLECULAR SIMULATIONS; RELAXATION STRATEGIES; SIMULATIONS; SLOW DIFFUSION; UNREACTED MONOMERS; VOLUMETRIC PROPERTIES;

CROSSLINKING; GLASS TRANSITION; MODEL STRUCTURES; POLYMERIZATION; VOLUMETRIC ANALYSIS;

MOLECULAR DYNAMICS;

EID: 84862552058     PISSN: 10221344     EISSN: 15213919     Source Type: Journal    
DOI: 10.1002/mats.201100119     Document Type: Article

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