Modeling of Mass Transfer and Reactions with the Moment Method

dc.contributorAalto Universityen
dc.contributor.authorLiu, Zheng
dc.contributor.departmentBiotekniikan ja kemian tekniikan laitosfi
dc.contributor.departmentDepartment of Biotechnology and Chemical Technologyen
dc.contributor.labResearch Group of Chemical Engineeringen
dc.contributor.labKemian laitetekniikan tutkimusryhmäfi
dc.contributor.schoolKemian tekniikan korkeakoulufi
dc.contributor.schoolSchool of Chemical Technologyen
dc.contributor.supervisorAlopaeus, Ville, Prof. Dr., Aalto University, Department of Biotechnology and Chemical Technology, Finland
dc.description.abstractIn chemical engineering field, mass transfer and reaction process models are needed in many stages of process research and design. These models usually consist of systems of partial differential equations. The focus of this work is to study the moment method as a numerical tool to solve different mass transfer and reaction models, which can be utilized to simulate a number of chemical engineering processes e.g. chromatography, adsorption, extraction etc. The implementation procedures, the features of the moment method are introduced with different application cases in this work. The moment transformation procedure, as the key step of the moment method is discussed in great detail when the moment method is applied to solve the chromatographic model. The important features of the moment method revealed in this work include: 1) Similar with other higher order methods, the moment method reaches desired accuracy with decreased number of variables and reduced computational load; 2) The moment method predicts the chromatographic effluent curve moments with good accuracy, because the moment method is to minimize the errors in the column profile moments; 3) Based on the moment method, the spatial PDE solution inherently conserves mass if 0th order moment is included into the set of equations. Different mass transfer and reaction processes are modeled in this work. From modeling point of view, these models are highly similar to each other except some minor details e.g. boundary conditions. This characteristic naturally is beneficial for the implementation of modeling tasks.en
dc.format.extent65 + app. 47
dc.identifier.isbn978-952-60-6044-6 (electronic)
dc.identifier.isbn978-952-60-6043-9 (printed)
dc.identifier.issn1799-4942 (electronic)
dc.identifier.issn1799-4934 (printed)
dc.identifier.issn1799-4934 (ISSN-L)
dc.opnvon Lieres, Eric, Dr., Forschungszentrum Jülich GmbH, Germany
dc.publisherAalto Universityen
dc.relation.haspart[Publication 1]: Liu, Z., Roininen, J., Pulkkinen, I., Sainio, T., & Alopaeus, V., Moment Based Weighted Residual Method–New Numerical Tool for a Nonlinear Multicomponent Chromatographic General Rate Model, Comput. Chem. Eng (2013), 53, 153-163. doi:10.1016/j.compchemeng.2013.02.008.
dc.relation.haspart[Publication 2]: Liu, Z., Roininen, J., Pulkkinen, I., Saari, P., Sainio, T., & Alopaeus, V., A New Moment Analysis Method to Estimate the Characteristic Parameters in Chromatographic General Rate Model, Comput. Chem. Eng (2013), 55, 50-60. doi:10.1016/j.compchemeng.2013.04.015.
dc.relation.haspart[Publication 3]: Liu, Z., Suntio, V., Kuitunen, S., Roininen, J., & Alopaeus, V., Modeling of mass transfer and reactions in anisotropic biomass particles with reduced computational load, Ind. Eng. Chem. Res (2014), 53, 4096-4103. doi:10.1021/ie403400n.
dc.relation.haspart[Publication 4]: Liu, Z., Ahmad, W., Kuitunen, S., & Alopaeus, V., Modeling of mass transfer and degradation of hemicelluloses in flow-through hot water extraction, Nordic Pulp & Paper Research Journal (2014), 29, 568-583. doi:10.3183/NPPRJ-2014-29-04-p568-583.
dc.relation.ispartofseriesAalto University publication series DOCTORAL DISSERTATIONSen
dc.revRodrigues, Alírio E., Prof. Dr., Universidade do Porto, Portugal
dc.revGu, Tingyue, Prof. Dr., Ohio University, USA
dc.subject.keywordmass transferen
dc.subject.keywordreaction kineticsen
dc.subject.keywordhot water extractionen
dc.subject.keywordmoment methoden
dc.subject.keywordparameter estimationen
dc.titleModeling of Mass Transfer and Reactions with the Moment Methoden
dc.typeG5 Artikkeliväitöskirjafi
dc.type.ontasotDoctoral dissertation (article-based)en
dc.type.ontasotVäitöskirja (artikkeli)fi
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