GEQUAC, an excess Gibbs energy model describing associating and nonassociating liquid mixtures by a new model concept for functional groups

Fluid Phase Equilibria

Volumn 158-160, Issue , 1999, Pages 381-389

  Egner, Katja ^a   Gaube, Johann ^a   Pfennig, Andreas ^b  

^a DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

^b RWTH AACHEN UNIVERSITY   (Germany)

Author keywords

Associating and nonassociating mixtures; Binary parameters; Excess properties; GEQUAC model; Group contribution method; Ternary data prediction

Indexed keywords

BINARY MIXTURES; COMPUTER SIMULATION; GIBBS FREE ENERGY; HYDROGEN BONDS; LIQUIDS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; ORGANIC COMPOUNDS; PHASE EQUILIBRIA; SURFACES;

ASSOCIATING MIXTURE; BINARY PARAMETERS; EXCESS PROPERTIES; GEQUAC MODEL; GROUP CONTRIBUTION METHOD; NONASSOCIATING MIXTURE; TERNARY DATA PREDICTION;

MIXTURES;

2 BUTANONE; ALCOHOL; ALKANE; BUTANOL; FUNCTIONAL GROUP; HEPTANE; HYDROGEN; KETONE;

COMPUTER SIMULATION; CONFERENCE PAPER; ENERGY; HYDROGEN BOND; LIQUID; MATHEMATICAL MODEL; PREDICTION;

EID: 0033150875     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0378-3812(99)00137-5     Document Type: Article

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