Computing multi-species chemical equilibrium with an algorithm based on the reaction extents

Computers and Chemical Engineering

Volumn 58, Issue , 2013, Pages 135-143

  Paz García, Juan Manuel ^a   Johannesson, Björn ^a   Ottosen, Lisbeth M ^a   Ribeiro, Alexandra B ^b   Rodríguez Maroto, José Miguel ^c  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b UNIVERSIDADE NOVA DE LISBOA   (Portugal)

^c UNIVERSITY OF MÁLAGA   (Spain)

Author keywords

Chemical equilibrium; Reaction extent; Reactive transport; Speciation

Indexed keywords

CHEMICAL EQUILIBRIUMS; HETEROGENEOUS REACTIONS; MASS BALANCE EQUATIONS; REACTION EXTENT; REACTIVE TRANSPORT; REACTIVE TRANSPORT MODELS; RESIDUAL FUNCTIONS; SPECIATION;

MATHEMATICAL MODELS;

NEWTON-RAPHSON METHOD;

EID: 84881007193     PISSN: 00981354     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.compchemeng.2013.06.013     Document Type: Article

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