Modeling solubilities of additives in polymer microstructures: Single-step perturbation method based on a soft-cavity reference state

Macromolecules

Volumn 41, Issue 13, 2008, Pages 5055-5061

  Özal, Tugba A ^a   Peter, Christine ^a   Hess, Berk ^a   Van Der Vegt, Nico F A ^a  

^a MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADDITIVES; CHLORINE COMPOUNDS; DIMETHYL SULFOXIDE; FREE ENERGY; MOLECULAR DYNAMICS; POLYMER MELTS; SOLUBILITY;

BISPHENOL A POLYCARBONATES; EXCESS CHEMICAL POTENTIALS; LENNARD-JONES PARTICLES; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SIMULATIONS; POLYMER MICROSTRUCTURES; STATISTICAL ACCURACY; THERMODYNAMIC PERTURBATION;

PERTURBATION TECHNIQUES;

EID: 47949090442     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma702329q     Document Type: Article

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