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dc.contributor.authorRos, Jasper
dc.contributor.authorBrilman, Derk
dc.contributor.authorBernhardsen, Ida
dc.contributor.authorKnuutila, Hanna K
dc.date.accessioned2020-01-31T13:10:43Z
dc.date.available2020-01-31T13:10:43Z
dc.date.created2020-01-16T16:44:38Z
dc.date.issued2019
dc.identifier.citationComputer-aided chemical engineering. 2019, 46 1087-1092.nb_NO
dc.identifier.issn1570-7946
dc.identifier.urihttp://hdl.handle.net/11250/2639079
dc.description.abstractFor the modelling of novel solvent systemsfor CO2-capture in AspenPlus®, data fitting of physical-chemical properties is needed. In this work the challenges and results are presented for fitting such experimental data for aqueous solutions of 2-(diethylamino) ethanol (DEEA) and 3-(methylamino)propylamine (MAPA). Without CO2 present, the default regression tool of AspenPlus® gave good data fits for the binary systems H2O-MAPA and H2O-DEEA. In the presence of CO2, regression of parameters was not successful and an additional Particle Swarm Optimization (PSO) algorithm was needed to determine the many molecule-ion parameters for the ELECNRTL model. With this, for DEEA a good fit to experimental data has been obtained, whereas for MAPA, due to the high number of ionic species, the results were still not satisfactory. To resolve this, independent measurement of equilibrium constants for the ionic equilibria is recommended.nb_NO
dc.language.isoengnb_NO
dc.publisherElseviernb_NO
dc.titleDescribing CO2-Absorbent Properties in AspenPlusnb_NO
dc.typeJournal articlenb_NO
dc.typePeer reviewednb_NO
dc.description.versionacceptedVersionnb_NO
dc.source.pagenumber1087-1092nb_NO
dc.source.volume46nb_NO
dc.source.journalComputer-aided chemical engineeringnb_NO
dc.identifier.doihttps://doi.org/10.1016/B978-0-12-818634-3.50182-X
dc.identifier.cristin1713128
dc.description.localcodeThis article will not be available due to copyright restrictions (c) 2019 by Elseviernb_NO
cristin.unitcode194,66,30,0
cristin.unitnameInstitutt for kjemisk prosessteknologi
cristin.ispublishedtrue
cristin.fulltextpostprint
cristin.qualitycode1


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