Predicting the solubility of the sparingly soluble solids 1,2,4,5-tetramethylbenzene, phenanthrene, and fluorene in various organic solvents by molecular simulation

Journal of Chemical and Engineering Data

Volumn 56, Issue 4, 2011, Pages 1587-1595

  Paluch, Andrew S ^a   Cryan, Dan D ^a   Maginn, Edward J ^a  

^a University of Notre Dame   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

1-OCTANOL; ABSOLUTE ERROR; ACCEPTANCE RATIO METHOD; DESCRIPTORS; DIFFERENT SOLVENTS; DRIVING FORCES; EXPERIMENTAL DATA; FLUORENES; FREE ENERGY SIMULATIONS; MOLECULAR SIMULATIONS; REFERENCE STATE; SIMPLE METHOD; SOLID-PHASE; SOLUBILITY DATA; SOLUBLE SOLIDS; SOLUTE MOLECULES; SOLVATION MODELS;

ANTHRACENE; BENZENE; ETHANOL; ETHERS; FLUORINE CONTAINING POLYMERS; HEXANE; SOLUBILITY;

ORGANIC SOLVENTS;

EID: 79954618686     PISSN: 00219568     EISSN: 15205134     Source Type: Journal    
DOI: 10.1021/je101251n     Document Type: Article

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