Industrial and mine water chemistry: Advanced aqueous database for modelling industrial processes

Research output: Book/ReportReport

Abstract

Within this report, the basic theory of modelling concentrated aqueous solutions based on thermodynamic approach is given. For complex industrial solutions, it is important to take into account the non-ideality of the solutions to gain reliable results with engineering calculations. The well-known Pitzer formalism for describing the activity coefficients in the concentrated aqueous solutions has been used with an extended database of Pitzer interaction parameters ranging from 25°C to 95°C. The database allows for reliable predictive simulations of the major metal cations (in particular Na , K , Ca² , Mg² ; Al³ ,Fe³ , Cu² , Mn² ) that most commonly occur in industrial sulphate, carbonate and chloride solutions. The database can also include solubility data of complex salts and mineral compounds from selected inter-national geochemical databases. The data is used in multicomponent reactor modules, which are connected to modular process modelling software typically used in chemical and process engineering. The application of data is given for selected examples, including
• The leaching process for alkaline (soda) ash
• Neutralisation treatment of acidic mine water (AMD)
• Simulation of a mining water sulfate treatment cycle
• Recovery of rare earth compounds from acidic leachate
Alternative dosage for neutralisation, pH control and solubility controls as well as optional connections in a multi-stage hydrometallurgical plant or within a set of water treatment units can be simulated with fair accuracy. The models provide a fast and inexpensive tool for both troubleshooting and problem solving as well as for developing new economical and environmentally benign approaches for industrial and mine water management.
Original languageEnglish
Place of PublicationEspoo
PublisherVTT Technical Research Centre of Finland
Number of pages85
ISBN (Electronic)978-951-38-8620-2
ISBN (Print)978-951-38-8622-6
Publication statusPublished - Jan 2018
MoE publication typeD4 Published development or research report or study

Publication series

SeriesVTT Technology
Number321
ISSN2242-1211

Fingerprint

water chemistry
neutralization
modeling
solubility
aqueous solution
sulfate
engineering
activity coefficient
simulation
water management
water treatment
ash
cation
thermodynamics
leaching
chloride
salt
software
carbonate
water

Keywords

  • industrial and mine waters
  • sulphate control
  • solubility
  • process simulation

Cite this

Pajarre, R., Koukkari, P., & Kangas, P. (2018). Industrial and mine water chemistry: Advanced aqueous database for modelling industrial processes. Espoo: VTT Technical Research Centre of Finland. VTT Technology, No. 321
Pajarre, Risto ; Koukkari, Pertti ; Kangas, Petteri. / Industrial and mine water chemistry : Advanced aqueous database for modelling industrial processes. Espoo : VTT Technical Research Centre of Finland, 2018. 85 p. (VTT Technology; No. 321).
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Pajarre, R, Koukkari, P & Kangas, P 2018, Industrial and mine water chemistry: Advanced aqueous database for modelling industrial processes. VTT Technology, no. 321, VTT Technical Research Centre of Finland, Espoo.

Industrial and mine water chemistry : Advanced aqueous database for modelling industrial processes. / Pajarre, Risto; Koukkari, Pertti; Kangas, Petteri.

Espoo : VTT Technical Research Centre of Finland, 2018. 85 p. (VTT Technology; No. 321).

Research output: Book/ReportReport

TY - BOOK

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T2 - Advanced aqueous database for modelling industrial processes

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AU - Koukkari, Pertti

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N2 - Within this report, the basic theory of modelling concentrated aqueous solutions based on thermodynamic approach is given. For complex industrial solutions, it is important to take into account the non-ideality of the solutions to gain reliable results with engineering calculations. The well-known Pitzer formalism for describing the activity coefficients in the concentrated aqueous solutions has been used with an extended database of Pitzer interaction parameters ranging from 25°C to 95°C. The database allows for reliable predictive simulations of the major metal cations (in particular Na , K , Ca² , Mg² ; Al³ ,Fe³ , Cu² , Mn² ) that most commonly occur in industrial sulphate, carbonate and chloride solutions. The database can also include solubility data of complex salts and mineral compounds from selected inter-national geochemical databases. The data is used in multicomponent reactor modules, which are connected to modular process modelling software typically used in chemical and process engineering. The application of data is given for selected examples, including• The leaching process for alkaline (soda) ash• Neutralisation treatment of acidic mine water (AMD)• Simulation of a mining water sulfate treatment cycle• Recovery of rare earth compounds from acidic leachateAlternative dosage for neutralisation, pH control and solubility controls as well as optional connections in a multi-stage hydrometallurgical plant or within a set of water treatment units can be simulated with fair accuracy. The models provide a fast and inexpensive tool for both troubleshooting and problem solving as well as for developing new economical and environmentally benign approaches for industrial and mine water management.

AB - Within this report, the basic theory of modelling concentrated aqueous solutions based on thermodynamic approach is given. For complex industrial solutions, it is important to take into account the non-ideality of the solutions to gain reliable results with engineering calculations. The well-known Pitzer formalism for describing the activity coefficients in the concentrated aqueous solutions has been used with an extended database of Pitzer interaction parameters ranging from 25°C to 95°C. The database allows for reliable predictive simulations of the major metal cations (in particular Na , K , Ca² , Mg² ; Al³ ,Fe³ , Cu² , Mn² ) that most commonly occur in industrial sulphate, carbonate and chloride solutions. The database can also include solubility data of complex salts and mineral compounds from selected inter-national geochemical databases. The data is used in multicomponent reactor modules, which are connected to modular process modelling software typically used in chemical and process engineering. The application of data is given for selected examples, including• The leaching process for alkaline (soda) ash• Neutralisation treatment of acidic mine water (AMD)• Simulation of a mining water sulfate treatment cycle• Recovery of rare earth compounds from acidic leachateAlternative dosage for neutralisation, pH control and solubility controls as well as optional connections in a multi-stage hydrometallurgical plant or within a set of water treatment units can be simulated with fair accuracy. The models provide a fast and inexpensive tool for both troubleshooting and problem solving as well as for developing new economical and environmentally benign approaches for industrial and mine water management.

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Pajarre R, Koukkari P, Kangas P. Industrial and mine water chemistry: Advanced aqueous database for modelling industrial processes. Espoo: VTT Technical Research Centre of Finland, 2018. 85 p. (VTT Technology; No. 321).