Industrial applications of multi-phase thermochemical simulation

Research output: Contribution to journalArticle in a proceedings journalScientificpeer-review

2 Citations (Scopus)

Abstract

The multi-component Gibbs energy simulation provides an efficient tool for quantifying measured data in complex industrial systems. The advantages of the multi-phase methods have been recognized and they are becoming widely accepted in different applications, ranging from metallurgy and mate rials processing to chemistry and energy and environmental technologies. The thermodynamic multi-phase theory provides an effective method to support industrial process development by quantitative process analysis. By using the Gibb senergy, based calculations the chemical equilibria in complex multi-phase systems are determined and quantitative results are received for all that can be defined with the thermody namic properties of their constituents. The multiphase Gibbs energy method enables simult aneous computation of chemical and energy changes. Further, the thermochemical approach provides a method to solve the bulk chemistry together with the speciation of man y minor constituents, such as harmful trace compounds.

Recent development has brought new phenomena, such as ion exchange and surface properties to the Gibbsian multi-phase domain. The thermochemical calculations can be applied e.g. on aqueous pulp suspensions to follow the chemical composition and alkalinity of the pulp and paper-making processes. New advanced algorithms also allow for the use of reaction rate constraints in multi-phase Gibbsian simulations. Combination of reaction rates with the thermochemical, method brings about simultaneous and interdependent models for chemical and energy changes in such reactors that involve endo-and exothermic reactions together with operator controlled heat and mass transfer effects. The practical applications include process internsification, optimization, troubleshooting, scale-up, study of new chemical concepts and search for new, more economic process alternatives.
Original languageEnglish
Pages (from-to)889-894
JournalComputer Aided Chemical Engineering
Volume25
DOIs
Publication statusPublished - 2008
MoE publication typeA4 Article in a conference publication
Event18th European Symposium on Computer Aided Process Engineering. Lyon, France, 1 - 4 June 2008 -
Duration: 1 Jan 2008 → …

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Industrial applications
Gibbs free energy
Reaction rates
Pulp
Environmental technology
Exothermic reactions
Metallurgy
Alkalinity
Surface properties
Ion exchange
Suspensions
Mass transfer
Thermodynamics
Heat transfer
Economics
Processing
Chemical analysis

Keywords

  • Gibbs energy method
  • industrial models
  • multi-phase modeling
  • process intensification

Cite this

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title = "Industrial applications of multi-phase thermochemical simulation",
abstract = "The multi-component Gibbs energy simulation provides an efficient tool for quantifying measured data in complex industrial systems. The advantages of the multi-phase methods have been recognized and they are becoming widely accepted in different applications, ranging from metallurgy and mate rials processing to chemistry and energy and environmental technologies. The thermodynamic multi-phase theory provides an effective method to support industrial process development by quantitative process analysis. By using the Gibb senergy, based calculations the chemical equilibria in complex multi-phase systems are determined and quantitative results are received for all that can be defined with the thermody namic properties of their constituents. The multiphase Gibbs energy method enables simult aneous computation of chemical and energy changes. Further, the thermochemical approach provides a method to solve the bulk chemistry together with the speciation of man y minor constituents, such as harmful trace compounds.Recent development has brought new phenomena, such as ion exchange and surface properties to the Gibbsian multi-phase domain. The thermochemical calculations can be applied e.g. on aqueous pulp suspensions to follow the chemical composition and alkalinity of the pulp and paper-making processes. New advanced algorithms also allow for the use of reaction rate constraints in multi-phase Gibbsian simulations. Combination of reaction rates with the thermochemical, method brings about simultaneous and interdependent models for chemical and energy changes in such reactors that involve endo-and exothermic reactions together with operator controlled heat and mass transfer effects. The practical applications include process internsification, optimization, troubleshooting, scale-up, study of new chemical concepts and search for new, more economic process alternatives.",
keywords = "Gibbs energy method, industrial models, multi-phase modeling, process intensification",
author = "Risto Pajarre and Pertti Koukkari and Karri Penttil{\"a}",
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}

Industrial applications of multi-phase thermochemical simulation. / Pajarre, Risto; Koukkari, Pertti; Penttilä, Karri.

In: Computer Aided Chemical Engineering, Vol. 25, 2008, p. 889-894.

Research output: Contribution to journalArticle in a proceedings journalScientificpeer-review

TY - JOUR

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AU - Pajarre, Risto

AU - Koukkari, Pertti

AU - Penttilä, Karri

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AB - The multi-component Gibbs energy simulation provides an efficient tool for quantifying measured data in complex industrial systems. The advantages of the multi-phase methods have been recognized and they are becoming widely accepted in different applications, ranging from metallurgy and mate rials processing to chemistry and energy and environmental technologies. The thermodynamic multi-phase theory provides an effective method to support industrial process development by quantitative process analysis. By using the Gibb senergy, based calculations the chemical equilibria in complex multi-phase systems are determined and quantitative results are received for all that can be defined with the thermody namic properties of their constituents. The multiphase Gibbs energy method enables simult aneous computation of chemical and energy changes. Further, the thermochemical approach provides a method to solve the bulk chemistry together with the speciation of man y minor constituents, such as harmful trace compounds.Recent development has brought new phenomena, such as ion exchange and surface properties to the Gibbsian multi-phase domain. The thermochemical calculations can be applied e.g. on aqueous pulp suspensions to follow the chemical composition and alkalinity of the pulp and paper-making processes. New advanced algorithms also allow for the use of reaction rate constraints in multi-phase Gibbsian simulations. Combination of reaction rates with the thermochemical, method brings about simultaneous and interdependent models for chemical and energy changes in such reactors that involve endo-and exothermic reactions together with operator controlled heat and mass transfer effects. The practical applications include process internsification, optimization, troubleshooting, scale-up, study of new chemical concepts and search for new, more economic process alternatives.

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