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Computers & Chemical Engineering
Article . 2014 . Peer-reviewed
License: Elsevier TDM
Data sources: Crossref
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Ideal adsorbed solution theory solved with direct search minimisation

Authors: Santori, Giulio; Luberti, Mauro; Ahn, Hyungwoong;

Ideal adsorbed solution theory solved with direct search minimisation

Abstract

Abstract The ideal adsorbed solution theory (IAST) is the most widespread theory for multicomponent adsorption interpretation. It postulates the existence of an adsorbed phase which behaves as a Raoult ideal solution. The theory results in a system of nonlinear algebraic equations which are solved to know the composition of the adsorbed mixture at equilibrium. In this paper an investigation on an alternative method for the IAST equations solution is proposed which is based on the minimisation of an objective function representing the iso-spreading pressure condition. This approach to the solution of the IAST equations reduces in some cases the computational effort and mitigates the issues of the currently adopted approaches (inversion of functions and initial guess). For binary systems, direct search minimisation approach is faster than the classic IAST equations solution approach up to 19.0 (Dual Langmuir isotherm) and 22.7 times (Toth isotherm). In ternary systems, this difference decreases to 10.4 (O’Brien and Myers isotherm) times. Compared to FASTIAS approach, direct search minimisation is up to 4.2 times slower in ternary systems.

Country
United Kingdom
Related Organizations
Keywords

Adsorption thermodynamics, Ideal adsorbed solution theory, MIXTURES, BINARY, ideal adsorbed solution theory, Adsorption equilibria, MODEL, adsorption equilibria, solution algorithm, EQUILIBRIUM, METHANE, GAS, Solution algorithm, adsorption thermodynamics, ACTIVATED CARBON, COMPETITIVE ADSORPTION-ISOTHERM, OPTIMIZATION, DIOXIDE

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    20
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Top 10%
    influence
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    Top 10%
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    Average
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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
20
Top 10%
Top 10%
Average
bronze