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Multi-scale modelling and simulation of Ca-looping cycle process for CO2 post-combustion capture

2018-07Journal article Restricted access
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dc.contributor.authorPinheiro, Carla
dc.contributor.authorFilipe, Rui
dc.contributor.authorTorres, Miguel Abreu
dc.contributor.authorSilva, João
dc.contributor.authorMatos, Henrique A.
dc.date.accessioned2018-07-25T08:26:46Z
dc.date.available2018-07-25T08:26:46Z
dc.date.issued2018-07
dc.description.abstractThe present work focuses on one of the more promising new post-combustion technologies using calcium-based materials, known as the “Ca-looping cycle” process, which endeavors to scrub CO2 from flue gases and syngases by using natural lime-based sorbents and which appears to potentially offer limited CO2 capture costs. So, the major driving force is to improve overall efficiency, reduce the cost, and minimize adverse environmental impacts of post-combustion Ca-looping cycle CO2 capture, as compared to more conventional technologies (e.g., amine-based solvent scrubbing). There is a large energy penalty with amine scrubbing, the closest to market technology. The main objective of this work is to develop a first principles model to simulate different natural sorbents looping cycle performance in a fixed bed reactor laboratory scale system. A rigorous non-linear dynamic model of the looping cycle process was developed in gPROMS, based on the multiscale concept. The multiscale modeling is an emerging technique, where the characteristic length for each phenomena that occurs is taken into consideration, leading to a set of submodels with different scale lengths. These submodels when coupled together allow the simulation of a macrosystem (Hangos and Cameron, 2001). After the identification of the characteristic dimensions involved in the models, the first step is the development of a single particle model, which takes into account the energy and material transport, undergoing reactions (carbonation and calcination) and structural changes inside the particle. The material and heat transport inside the particle take into account the structural changes. Detailed models of single particle undergoing cycles of calcination and carbonation are developed. An improved decay approach is introduced in the model for those sorbents exhibiting carbonation decay with the number of cycles. The experimental characterization of the samples gave vital information on the physicochemical changes occurring during testing that need to be described in the model in the carbonation decay function. The conversion decay does not only depend on the number of cycles, but also on the conditions of the previous cycles, temperature, pressure, gas phase composition and characteristics of the material used for the carbonation. Model parameters are estimated from experimental results obtained for different sorbents tested (Santos et al., 2012)(Pinheiro et al., 2016). Several simulations for different sorbents and operating conditions were performed and the model was validated with experimental data obtained in a fixed bed reactor. It was also important to ensure that the model is numerically stable within a large range of values.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationPINHEIRO, Carla I. C.; [et al] – Multi-scale modelling and simulation of Ca-looping cycle process for CO2 post-combustion. Computer Aided Chemical Engineering. ISSN 1570-7946. Vol. 43 (2018), pp. 291-292pt_PT
dc.identifier.doihttps://doi.org/10.1016/B978-0-444-64235-6.50053-Xpt_PT
dc.identifier.issn1570-7946
dc.identifier.urihttp://hdl.handle.net/10400.21/8711
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherElsevierpt_PT
dc.relationCarbon Emissions Reduction in the Cement Industry
dc.subjectSimulationpt_PT
dc.subjectCO2 capturept_PT
dc.subjectCalcium loopingpt_PT
dc.subjectCarbon emissions reductionpt_PT
dc.subjectMulti-scale modellingpt_PT
dc.titleMulti-scale modelling and simulation of Ca-looping cycle process for CO2 post-combustion capturept_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleCarbon Emissions Reduction in the Cement Industry
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/5876/UID%2FQUI%2F00100%2F2013/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/3599-PPCDT/PTDC%2FAAG-MAA%2F6195%2F2014/PT
oaire.citation.endPage292pt_PT
oaire.citation.startPage291pt_PT
oaire.citation.titleComputer Aided Chemical Engineeringpt_PT
oaire.citation.volume43pt_PT
oaire.fundingStream5876
oaire.fundingStream3599-PPCDT
person.familyNameCosta Pinheiro
person.familyNameFilipe
person.familyNameSilva
person.familyNameMatos
person.givenNameCarla Isabel
person.givenNameRui
person.givenNameJoão Miguel Alves da
person.givenNameHenrique
person.identifier1739836
person.identifier1334412
person.identifierfWmw7kEAAAAJ
person.identifier118375
person.identifier.ciencia-id6C10-AF41-F63A
person.identifier.ciencia-id5614-1790-85E3
person.identifier.ciencia-id3D1F-BD3A-4A9D
person.identifier.ciencia-idF215-6622-49CC
person.identifier.orcid0000-0002-2568-3974
person.identifier.orcid0000-0002-7093-316X
person.identifier.orcid0000-0003-1244-6483
person.identifier.orcid0000-0001-8128-7346
person.identifier.ridK-7263-2012
person.identifier.ridB-4925-2008
person.identifier.ridA-4946-2012
person.identifier.scopus-author-id7004773622
person.identifier.scopus-author-id22034515600
person.identifier.scopus-author-id16317291000
person.identifier.scopus-author-id6701829745
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsclosedAccesspt_PT
rcaap.typearticlept_PT
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