Introducing mechanistic kinetics to the Lagrangian Gibbs energy calculation

Computers and Chemical Engineering

Volumn 30, Issue 6-7, 2006, Pages 1189-1196

  Koukkari, Pertti ^a   Pajarre, Risto ^a  

^a VTT TECHNICAL RESEARCH CENTRE OF FINLAND   (Finland)

Author keywords

Gibbs energy minimization; Kinetic constraints; Lagrange multipliers; Process modeling; Reaction rate

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; CONSTRAINT THEORY; LAGRANGE MULTIPLIERS; MATHEMATICAL MODELS; MATRIX ALGEBRA; REACTION KINETICS; STOICHIOMETRY;

GIBBS ENERGY MINIMIZATIONS; KINETIC CONSTRAINTS; PROCESS MODELING; REACTION RATE;

GIBBS FREE ENERGY;

ALGORITHMS; COMPUTER SIMULATION; CONSTRAINT THEORY; GIBBS FREE ENERGY; LAGRANGE MULTIPLIERS; MATHEMATICAL MODELS; MATRIX ALGEBRA; REACTION KINETICS; STOICHIOMETRY;

EID: 33646168483     PISSN: 00981354     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.compchemeng.2006.03.001     Document Type: Article

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