Multi-phase thermodynamic modelling of pulp suspensions: Review of the methodology

Research output: Contribution to journalArticleScientificpeer-review

6 Citations (Scopus)

Abstract

Thermodynamic models have been increasingly applied to describe the multi-component chemistry of pulp suspensions. Their advantage is the inclusion of a great number of phases and chemical species in fibre line and paper-making furnish. The equilibrium models may consider both non-selective ionexchange (Donnan equilibrium) and ion-specific complex formation in order to predict the distribution of ions between the fibre and aqueous phases. In this work, an extended Gibbs free energy method, also combined with reaction kinetics, was used. The Pitzer formalism was introduced to describe the activities of the solution phases. The constructed model was then applied to papermaking applications. Additionally, the multi-phase model was used in creating a neural network-based meta-model of pulp suspension pH. The Gibbsian method appears to be the best option for the calculation of chemical equilibrium in the multi-phase pulp suspension. The meta-models can be further used for ad-hoc applications, such as soft sensors.
Original languageEnglish
Pages (from-to)604-612
Number of pages8
JournalNordic Pulp and Paper Research Journal
Volume27
Issue number3
DOIs
Publication statusPublished - 2012
MoE publication typeA1 Journal article-refereed

Fingerprint

thermodynamics
Pulp
pulp
Suspensions
Thermodynamics
methodology
modeling
papermaking
Ions
ions
Gibbs free energy
chemical equilibrium
chemical speciation
Papermaking
ion
Fibers
reaction kinetics
Reaction kinetics
neural networks
sensors (equipment)

Keywords

  • gibbs free energy
  • constrained equilibrium
  • meta-model
  • papermaking chemistry

Cite this

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title = "Multi-phase thermodynamic modelling of pulp suspensions: Review of the methodology",
abstract = "Thermodynamic models have been increasingly applied to describe the multi-component chemistry of pulp suspensions. Their advantage is the inclusion of a great number of phases and chemical species in fibre line and paper-making furnish. The equilibrium models may consider both non-selective ionexchange (Donnan equilibrium) and ion-specific complex formation in order to predict the distribution of ions between the fibre and aqueous phases. In this work, an extended Gibbs free energy method, also combined with reaction kinetics, was used. The Pitzer formalism was introduced to describe the activities of the solution phases. The constructed model was then applied to papermaking applications. Additionally, the multi-phase model was used in creating a neural network-based meta-model of pulp suspension pH. The Gibbsian method appears to be the best option for the calculation of chemical equilibrium in the multi-phase pulp suspension. The meta-models can be further used for ad-hoc applications, such as soft sensors.",
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author = "Petteri Kangas and Risto Pajarre and Marja Nappa and Pertti Koukkari",
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Multi-phase thermodynamic modelling of pulp suspensions : Review of the methodology. / Kangas, Petteri; Pajarre, Risto; Nappa, Marja; Koukkari, Pertti.

In: Nordic Pulp and Paper Research Journal, Vol. 27, No. 3, 2012, p. 604-612.

Research output: Contribution to journalArticleScientificpeer-review

TY - JOUR

T1 - Multi-phase thermodynamic modelling of pulp suspensions

T2 - Review of the methodology

AU - Kangas, Petteri

AU - Pajarre, Risto

AU - Nappa, Marja

AU - Koukkari, Pertti

PY - 2012

Y1 - 2012

N2 - Thermodynamic models have been increasingly applied to describe the multi-component chemistry of pulp suspensions. Their advantage is the inclusion of a great number of phases and chemical species in fibre line and paper-making furnish. The equilibrium models may consider both non-selective ionexchange (Donnan equilibrium) and ion-specific complex formation in order to predict the distribution of ions between the fibre and aqueous phases. In this work, an extended Gibbs free energy method, also combined with reaction kinetics, was used. The Pitzer formalism was introduced to describe the activities of the solution phases. The constructed model was then applied to papermaking applications. Additionally, the multi-phase model was used in creating a neural network-based meta-model of pulp suspension pH. The Gibbsian method appears to be the best option for the calculation of chemical equilibrium in the multi-phase pulp suspension. The meta-models can be further used for ad-hoc applications, such as soft sensors.

AB - Thermodynamic models have been increasingly applied to describe the multi-component chemistry of pulp suspensions. Their advantage is the inclusion of a great number of phases and chemical species in fibre line and paper-making furnish. The equilibrium models may consider both non-selective ionexchange (Donnan equilibrium) and ion-specific complex formation in order to predict the distribution of ions between the fibre and aqueous phases. In this work, an extended Gibbs free energy method, also combined with reaction kinetics, was used. The Pitzer formalism was introduced to describe the activities of the solution phases. The constructed model was then applied to papermaking applications. Additionally, the multi-phase model was used in creating a neural network-based meta-model of pulp suspension pH. The Gibbsian method appears to be the best option for the calculation of chemical equilibrium in the multi-phase pulp suspension. The meta-models can be further used for ad-hoc applications, such as soft sensors.

KW - gibbs free energy

KW - constrained equilibrium

KW - meta-model

KW - papermaking chemistry

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DO - 10.3183/NPPRJ-2012-27-03-p604-612

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JO - Nordic Pulp and Paper Research Journal

JF - Nordic Pulp and Paper Research Journal

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