Extension of the simultaneous-solution and inside-outside algorithms to distillation with chemical reactions

The equations describing the steady state operation of distillation towers with chemical reactions were solved by two algorithms: (1) simultaneous solution after linearization; and (2) the inside-outside method, a tearing algorithm. The two algorithms were compared using a 13 tray ethyl acetate prod...

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Bibliographic Details
Published inComputers & chemical engineering Vol. 15; no. 5; pp. 337 - 348
Main Authors Simandl, J., Svrcek, W.Y.
Format Journal Article
LanguageEnglish
Published Oxford Elsevier Ltd 01.05.1991
Elsevier
Subjects
Applied sciences
Chemical engineering
Distillation
Exact sciences and technology
Water
Temperature distribution
Flow rate
Ethanol
Multicomponent mixture
Digital simulation
Algorithm
Modeling
Steady state
Distillation with reaction
Acetic acid
Mathematical model
Distillation column
Concentration distribution
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Summary:The equations describing the steady state operation of distillation towers with chemical reactions were solved by two algorithms: (1) simultaneous solution after linearization; and (2) the inside-outside method, a tearing algorithm. The two algorithms were compared using a 13 tray ethyl acetate producing column. The inside-outside algorithm converged to the solution faster than the simultaneous-solution algorithm. The robustness of the two methods was similar, as measured by the size of the domain within which the initialized variables had to lie for convergence to take place. The temperature and concentration column profiles generated by the two methods were the same since identical thermodynamic and kinetic functions were used. The predicted column profiles matched available experimental data within 15%.
ISSN:0098-1354
1873-4375
DOI:10.1016/0098-1354(91)80007-I