Modeling of the phase equilibria of polyisobutylene in diisobutylketone with molecular mechanics

Computational and Theoretical Polymer Science

Volumn 10, Issue 1-2, 2000, Pages 125-131

  Jonsdottir S O ^a   Welsh, W J ^b  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b UNIVERSITY OF MISSOURI ST LOUIS   (United States)

Author keywords

2,2,4 trimethylpentane; Computer simulation; Diisobutylketone; Liquid liquid equilibria; Molecular interactions; Polyisobutylene; Polymer solutions; Solvent activities; Theory

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; CONFORMATIONS; KETONES; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PHASE EQUILIBRIA;

CONSISTENT FORCE FIELD; DIISOBUTYLKETONE; ENERGY MINIMIZATIONS; INTERACTION ENERGIES; LIQUID-LIQUID EQUILIBRIA; MOLECULAR INTERACTIONS; POLYISOBUTYLENE; POLYMER SOLUTIONS; SOLVENT ACTIVITIES; TRIMETHYLPENTANE;

POLYBUTENES;

POLYMER;

EID: 0141916689     PISSN: 10893156     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1089-3156(99)00065-3     Document Type: Article

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