Chemical thermodynamics of aqueous electrolyte systems for industrial and environmental applications

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en
dc.contributor.author Salminen, Justin
dc.date.accessioned 2012-02-13T12:40:31Z
dc.date.available 2012-02-13T12:40:31Z
dc.date.issued 2004-03-20
dc.identifier.isbn 951-22-6936-8
dc.identifier.uri https://aaltodoc.aalto.fi/handle/123456789/2399
dc.description.abstract This thesis consists of studies of chemical thermodynamics of aqueous electrolytes for industrial and environmental applications. Calculations have been used to represent vapor-liquid-solid equilibria and chemical equilibria for aqueous systems including solubility of gases. Modern simulation methods combined with experiments provide a useful tool for the research and design of new processes as well as evaluating changes in the operational conditions of chemical processes. The Gibbs energy minimization methods ChemSage, and ChemSheet have been used along with activity coefficient models including Pitzer ion interaction model. The calculated results were compared if possible with experiments or with reference data. Further this work consists of studies on oxygen-pressurized peroxide bleaching, which is an important sequence of total chlorine free (TCF) bleaching for environmental reasons. The solution properties like pH have been measured and modelled both in pure H2O2-NaOH-H2O system and in bleaching conditions. Further, the thermodynamic multicomponent model was used with kinetic constraints for pH calculations in reactive solution. The knowledge of the pulp- and solution properties along with the results of the model calculations could be used for optimisation of the bleaching process with respect to reaction time and temperature. Thermodynamics provides a practical tool for the estimation of the chemical states of pulp and paper solutions as well as in hydrometallurgical applications. Such a fundamental approach relates to the chemical energy, chemical reactions, solubility of gases and salts, and an important online process parameter pH. The Gibbs energy approach was further applied to equilibrium and reaction dynamic studies of multiphase CO2-CaCO3-H2O system. en
dc.format.extent 54, [49]
dc.format.mimetype application/pdf
dc.language.iso en en
dc.publisher Helsinki University of Technology en
dc.publisher Teknillinen korkeakoulu fi
dc.relation.haspart Salminen J., Koukkari P., Jäkärä J. and Paren A., 2000. Thermochemical experiments and modelling of the PO bleaching stage. Journal of Pulp and Paper Science 26, number 12, pages 441-447.
dc.relation.haspart Kaskiala T. and Salminen J., 2003. Oxygen solubility in industrial process development. Industrial & Engineering Chemistry Research 42, number 8, pages 1827-1831.
dc.relation.haspart Salminen J. and Antson O., 2002. Physicochemical modeling of a bleaching solution and reaction. Industrial & Engineering Chemistry Research 41, number 13, pages 3312-3316.
dc.relation.haspart Koukkari P., Pajarre R., Pakarinen H. and Salminen J., 2001. Practical multiphase models for aqueous process solutions. Industrial & Engineering Chemistry Research 40, number 22, pages 5014-5020.
dc.relation.haspart Salminen J., Kobylin P., Chiavone-Filho O. and Liukkonen S., 2004. Gibbs energy approach for aqueous processes with HF, HNO<sub>3</sub> and CO<sub>2</sub>-CaCO<sub>3</sub>. AIChE Journal 50, number 6, accepted for publication.
dc.subject.other Chemistry en
dc.title Chemical thermodynamics of aqueous electrolyte systems for industrial and environmental applications en
dc.type G5 Artikkeliväitöskirja fi
dc.description.version reviewed en
dc.contributor.department Department of Chemical Technology en
dc.contributor.department Kemian tekniikan osasto fi
dc.subject.keyword Gibbs energy en
dc.subject.keyword modelling en
dc.subject.keyword aqueous en
dc.subject.keyword electrolyte en
dc.subject.keyword process en
dc.identifier.urn urn:nbn:fi:tkk-003445
dc.type.dcmitype text en
dc.type.ontasot Väitöskirja (artikkeli) fi
dc.type.ontasot Doctoral dissertation (article-based) en
dc.contributor.lab Laboratory of Physical Chemistry and Electrochemistry en
dc.contributor.lab Fysikaalisen kemian ja sähkökemian laboratorio fi


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