Transferable intermolecular potentials for carboxylic acids and their phase behavior

AIChE Journal

Volumn 56, Issue 2, 2010, Pages 485-505

  Vahid, Amir ^a   Elliott, J Richard ^a  

^a UNIVERSITY OF AKRON   (United States)

Author keywords

Compressibility factor; Molecular simulation; Phase equilibria; Vapor pressure

Indexed keywords

ACID SYSTEMS; AQUEOUS ACIDS; AQUEOUS SYSTEM; ATTRACTIVE FORCE; AVERAGE ABSOLUTE DEVIATION; BINARY SOLUTIONS; BONDING ENERGIES; BUBBLE PRESSURE; CARBON RATIO; CARBONYL OXYGEN; COMPRESSIBILITY FACTOR; DISCONTINUOUS MOLECULAR DYNAMICS; HYDROGEN BONDINGS; INTERACTION CORRECTIONS; INTERMOLECULAR POTENTIALS; LIQUID DENSITY; MOLECULAR SIMULATION; MOLECULAR SIMULATIONS; N-ALKANES; POTENTIAL MODEL; SATURATED VAPOR; SELF-INTERACTION ENERGY; SIMULATION RESULT; SITE TYPES; THERMODYNAMIC PERTURBATION THEORY; THREE PARAMETERS; TRANSFERABLE POTENTIALS; TRANSFERABLE STEP POTENTIALS;

BINARY MIXTURES; CARBOXYLIC ACIDS; COMPRESSIBILITY; DENSITY OF LIQUIDS; HYDROGEN BONDS; HYDROSTATIC PRESSURE; LIQUIDS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; ORGANIC ACIDS; OXYGEN; PARAFFINS; PERTURBATION TECHNIQUES; VAPOR PRESSURE; WATER VAPOR;

PHASE EQUILIBRIA;

EID: 74349101921     PISSN: 00011541     EISSN: 15475905     Source Type: Journal    
DOI: 10.1002/aic.11966     Document Type: Article

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