Modelling black liquor combustion with the constrained Gibbs energy method

Petteri Kangas, Pertti Koukkari, D. Lindberg, M. Hupa

Research output: Contribution to journalArticleScientificpeer-review

Abstract

A simulation model based on multiphase thermodynamics has been developed for the combustion of black liquor in a recovery boiler. The model provides a quantitative description of the observed super-equilibrium of excess sodium, potassium, sulphur, and chlorine in recoveryboiler fumes and the respective effects of super-equilibrium on the condensed phases. The methodology is based on the constrained free energy (CFE) technique, which is an extension of the conventional Gibbs free-energy minimization method used to estimate kinetically controlled and local equilibria of multiphase chemical systems. This work extends the Na-K-S-Cl-C-O-H-N system used for ash-chemistry studies by introducing additional constraints on the volatility of Na, K, S, and Cl. The methodology presented here enables simultaneous estimation of chemical reactions and heat of combustion in the recovery boiler.
Original languageEnglish
Pages (from-to)6-15
Number of pages10
JournalJ-FOR: Journal of Science & Technology for Forest Products and Processes
Volume3
Issue number3
Publication statusPublished - 2014
MoE publication typeA1 Journal article-refereed

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Gibbs free energy
Ashes
Boilers
Recovery
Fumes
Chlorine
Sulfur
Free energy
Potassium
Chemical reactions
Sodium
Thermodynamics
Hot Temperature

Cite this

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title = "Modelling black liquor combustion with the constrained Gibbs energy method",
abstract = "A simulation model based on multiphase thermodynamics has been developed for the combustion of black liquor in a recovery boiler. The model provides a quantitative description of the observed super-equilibrium of excess sodium, potassium, sulphur, and chlorine in recoveryboiler fumes and the respective effects of super-equilibrium on the condensed phases. The methodology is based on the constrained free energy (CFE) technique, which is an extension of the conventional Gibbs free-energy minimization method used to estimate kinetically controlled and local equilibria of multiphase chemical systems. This work extends the Na-K-S-Cl-C-O-H-N system used for ash-chemistry studies by introducing additional constraints on the volatility of Na, K, S, and Cl. The methodology presented here enables simultaneous estimation of chemical reactions and heat of combustion in the recovery boiler.",
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Modelling black liquor combustion with the constrained Gibbs energy method. / Kangas, Petteri; Koukkari, Pertti; Lindberg, D.; Hupa, M.

In: J-FOR: Journal of Science & Technology for Forest Products and Processes, Vol. 3, No. 3, 2014, p. 6-15.

Research output: Contribution to journalArticleScientificpeer-review

TY - JOUR

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AU - Kangas, Petteri

AU - Koukkari, Pertti

AU - Lindberg, D.

AU - Hupa, M.

PY - 2014

Y1 - 2014

N2 - A simulation model based on multiphase thermodynamics has been developed for the combustion of black liquor in a recovery boiler. The model provides a quantitative description of the observed super-equilibrium of excess sodium, potassium, sulphur, and chlorine in recoveryboiler fumes and the respective effects of super-equilibrium on the condensed phases. The methodology is based on the constrained free energy (CFE) technique, which is an extension of the conventional Gibbs free-energy minimization method used to estimate kinetically controlled and local equilibria of multiphase chemical systems. This work extends the Na-K-S-Cl-C-O-H-N system used for ash-chemistry studies by introducing additional constraints on the volatility of Na, K, S, and Cl. The methodology presented here enables simultaneous estimation of chemical reactions and heat of combustion in the recovery boiler.

AB - A simulation model based on multiphase thermodynamics has been developed for the combustion of black liquor in a recovery boiler. The model provides a quantitative description of the observed super-equilibrium of excess sodium, potassium, sulphur, and chlorine in recoveryboiler fumes and the respective effects of super-equilibrium on the condensed phases. The methodology is based on the constrained free energy (CFE) technique, which is an extension of the conventional Gibbs free-energy minimization method used to estimate kinetically controlled and local equilibria of multiphase chemical systems. This work extends the Na-K-S-Cl-C-O-H-N system used for ash-chemistry studies by introducing additional constraints on the volatility of Na, K, S, and Cl. The methodology presented here enables simultaneous estimation of chemical reactions and heat of combustion in the recovery boiler.

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