Modeling of Mass Transfer and Reactions with the Moment Method

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en Liu, Zheng 2015-02-11T10:00:22Z 2015-02-11T10:00:22Z 2015
dc.identifier.isbn 978-952-60-6044-6 (electronic)
dc.identifier.isbn 978-952-60-6043-9 (printed)
dc.identifier.issn 1799-4942 (electronic)
dc.identifier.issn 1799-4934 (printed)
dc.identifier.issn 1799-4934 (ISSN-L)
dc.description.abstract In 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.extent 65 + app. 47
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher Aalto University en
dc.publisher Aalto-yliopisto fi
dc.relation.ispartofseries Aalto University publication series DOCTORAL DISSERTATIONS en
dc.relation.ispartofseries 5/2015
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.subject.other Chemistry en
dc.title Modeling of Mass Transfer and Reactions with the Moment Method en
dc.type G5 Artikkeliväitöskirja fi Kemian tekniikan korkeakoulu fi School of Chemical Technology en
dc.contributor.department Biotekniikan ja kemian tekniikan laitos fi
dc.contributor.department Department of Biotechnology and Chemical Technology en
dc.subject.keyword modeling en
dc.subject.keyword mass transfer en
dc.subject.keyword reaction kinetics en
dc.subject.keyword chromatography en
dc.subject.keyword hot water extraction en
dc.subject.keyword moment method en
dc.subject.keyword parameter estimation en
dc.identifier.urn URN:ISBN:978-952-60-6044-6
dc.type.dcmitype text en
dc.type.ontasot Doctoral dissertation (article-based) en
dc.type.ontasot Väitöskirja (artikkeli) fi
dc.contributor.supervisor Alopaeus, Ville, Prof. Dr., Aalto University, Department of Biotechnology and Chemical Technology, Finland
dc.opn von Lieres, Eric, Dr., Forschungszentrum Jülich GmbH, Germany 2014-11-18
dc.contributor.lab Research Group of Chemical Engineering en
dc.contributor.lab Kemian laitetekniikan tutkimusryhmä fi
dc.rev Rodrigues, Alírio E., Prof. Dr., Universidade do Porto, Portugal
dc.rev Gu, Tingyue, Prof. Dr., Ohio University, USA 2015-02-27

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