Modelling of pure CO2 and flue gas sorption data on South African coals using Langmuir, Freundlich, Temkin, and Extended Langmuir isotherm models

Modelling of pure CO2 and flue gas sorption data on South African coals using Langmuir, Freundlich, Temkin, and Extended Langmuir isotherm models | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Research Modelling of pure CO 2 and flue gas sorption data on South African coals using Langmuir, Freundlich, Temkin, and Extended Langmuir isotherm models Major Mabuza, Kasturie Premlall, Michael O. Daramola This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-1019889/v1 This work is licensed under a CC BY 4.0 License Status: Under Review Version 1 posted 7 You are reading this latest preprint version Abstract Greenhouse gases (GHGs) have sharply increased over the past four decades due to intensifying industrial activities; as a result, the earth has been faced with global warming in which the major contributor is the anthropogenic carbon dioxide (CO 2 ) emissions. Carbon sequestration in unmineable coal seams has been proposed as one of the most attractive technologies to mitigate CO 2 emissions in which CO 2 is stored in the microporous structure of the coal matrix in an adsorbed state. The CO 2 adsorption process is hence considered one of the more effective methodologies in environmental sciences. Thus, adsorption isotherm measurements and modelling are key important scientific measures required in understanding the adsorption system, mechanism, and process optimization in coalbeds. In this paper, three renowned adsorption isotherm models were employed including Langmuir, Freundlich, and Temkin for pure CO 2 adsorption data, and the Extended-Langmuir model for multicomponent, such as flue gas mixture-adsorption data as investigated in this research work. The adsorption data was acquired from a high-pressure volumetric sorption system (HPVSS) experiment involving two South African coal samples from Ermelo and Somkhele coalfields with pure CO 2 and synthetic industrial flue gas to simulate emissions that are representative of a typical coal-fired power plant (12% CO 2 , 5.5% O 2 , 82% N 2 , 0.38% SO 2 , and 0.12% NO 2 ). The adsorption data was measured on 10 g samples with a mean size of 2 mm at temperatures ranging from 30 ºC to 60 ºC and pressure up to 9.0 MPa using the HPVSS. The statistical evaluation of the goodness-of-fit was done using three (3) statistical data analysis methods including correlation coefficient (R 2 ), standard deviation ( σ ), and standard error (SE). The Langmuir isotherm model conventionally fits the pure CO 2 gas experimental data better than Freundlich and Temkin. The Extended Langmuir gives best experimental data fit for the flue gas. Chemical Engineering Materials Engineering Global Warming Flue Gas Adsorption Unmineable Coal Adsorption Models Full Text Cite Share Download PDF Status: Under Review Version 1 posted Reviewer # 2 agreed at journal 27 Oct, 2021 Reviewers invited by journal 27 Oct, 2021 Reviewer # 1 agreed at journal 27 Oct, 2021 Editor assigned by journal 26 Oct, 2021 Submission checks completed at journal 26 Oct, 2021 Editor invited by journal 26 Oct, 2021 First submitted to journal 24 Oct, 2021 You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. As a division of Research Square Company, we’re committed to making research communication faster, fairer, and more useful. We do this by developing innovative software and high quality services for the global research community. Our growing team is made up of researchers and industry professionals working together to solve the most critical problems facing scientific publishing. Also discoverable on Platform About Our Team In Review Editorial Policies Advisory Board Help Center Resources Author Services Accessibility API Access RSS feed Manage Cookie Preferences © Research Square 2026 | ISSN 2693-5015 (online) Privacy Policy Terms of Service Do Not Sell My Personal Information {"props":{"pageProps":{"initialData":{"identity":"rs-1019889","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Research","associatedPublications":[],"authors":[{"id":59600815,"identity":"c99fdc98-979b-4efb-8306-fc631ed40b61","order_by":0,"name":"Major Mabuza","email":"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAZAAAAAyAQMAAABI0h/eAAAABlBMVEX///8AAABVwtN+AAAACXBIWXMAAA7EAAAOxAGVKw4bAAAAvElEQVRIiWNgGAWjYHCCBCC2IV1LGgMDG4k2HSZBi277gYePK3POJ26438D44QdDnTxBLWZnEpINz267nbjhGAOzZA8Dm2EDQS0HEtIkG7fdNjY4xsAgzcDAw0hYy/kHIC3nQFqYfzMwSNgT1nIDbMsBOaAWNqAtBolEaHmQbNi4LVlO8lhim2WPQUIyEQ7LSXzYuM2Oh+/w4cM3flTU2RLUAvRwApQB8rgBYfVAwH6AKGWjYBSMglEwggEApMQ7ESgkBjAAAAAASUVORK5CYII=","orcid":"https://orcid.org/0000-0001-5315-6496","institution":"Vaal University of Technology","correspondingAuthor":true,"submittingAuthor":false,"prefix":"","firstName":"Major","middleName":"","lastName":"Mabuza","suffix":""},{"id":59600816,"identity":"df591122-fe09-4433-8a95-276c9ed5382a","order_by":1,"name":"Kasturie Premlall","email":"","orcid":"","institution":"Tshwane University of Technology","correspondingAuthor":false,"submittingAuthor":false,"prefix":"","firstName":"Kasturie","middleName":"","lastName":"Premlall","suffix":""},{"id":59600817,"identity":"8583a389-738a-4d61-a140-4a884b7849bb","order_by":2,"name":"Michael O. Daramola","email":"","orcid":"","institution":"University of Pretoria","correspondingAuthor":false,"submittingAuthor":false,"prefix":"","firstName":"Michael","middleName":"O.","lastName":"Daramola","suffix":""}],"badges":[],"createdAt":"2021-10-26 11:01:34","currentVersionCode":1,"declarations":"","doi":"10.21203/rs.3.rs-1019889/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-1019889/v1","draftVersion":[],"editorialEvents":[],"editorialNote":"","failedWorkflow":false,"files":[{"id":15034062,"identity":"68f5dd5b-92bc-4898-a9b1-f0c50600dcb6","added_by":"auto","created_at":"2021-10-29 16:26:45","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":913165,"visible":true,"origin":"","legend":"","description":"","filename":"SorptionDataModellingMabuzaMMDr.pdf","url":"https://assets-eu.researchsquare.com/files/rs-1019889/v1_covered.pdf"}],"financialInterests":"","formattedTitle":"\u003cp\u003eModelling of pure CO\u003csub\u003e2\u003c/sub\u003e and flue gas sorption data on South African coals using Langmuir, Freundlich, Temkin, and Extended Langmuir isotherm models\u003c/p\u003e","fulltext":[{"header":"Full Text","content":"This preprint is available for \u003ca href='/article/rs-1019889/latest.pdf' target='_blank'\u003edownload as a PDF\u003c/a\u003e."}],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":false,"hideJournal":false,"highlight":"","institution":"","isAcceptedByJournal":false,"isAuthorSuppliedPdf":true,"isDeskRejected":"","isHiddenFromSearch":false,"isInQc":false,"isInWorkflow":false,"isPdf":false,"isPdfUpToDate":true,"isWithdrawnOrRetracted":false,"journal":{"display":true,"email":"[email protected]","identity":"international-journal-of-coal-science-and-technology","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":false,"externalIdentity":"coal","sideBox":"Learn more about [International Journal of Coal Science \u0026 Technology](https://link.springer.com/journal/volumesAndIssues/40789)","snPcode":"","submissionUrl":"https://www.editorialmanager.com/COAL/default.aspx","title":"International Journal of Coal Science \u0026 Technology","twitterHandle":"","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"em","reportingPortfolio":"BMC/SO AJ","inReviewEnabled":false,"inReviewRevisionsEnabled":true},"keywords":"Global Warming, Flue Gas, Adsorption, Unmineable Coal, Adsorption Models","lastPublishedDoi":"10.21203/rs.3.rs-1019889/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-1019889/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"Greenhouse gases (GHGs) have sharply increased over the past four decades due to intensifying industrial activities; as a result, the earth has been faced with global warming in which the major contributor is the anthropogenic carbon dioxide (CO 2 ) emissions. Carbon sequestration in unmineable coal seams has been proposed as one of the most attractive technologies to mitigate CO 2 emissions in which CO 2 is stored in the microporous structure of the coal matrix in an adsorbed state. The CO 2 adsorption process is hence considered one of the more effective methodologies in environmental sciences. Thus, adsorption isotherm measurements and modelling are key important scientific measures required in understanding the adsorption system, mechanism, and process optimization in coalbeds. In this paper, three renowned adsorption isotherm models were employed including Langmuir, Freundlich, and Temkin for pure CO 2 adsorption data, and the Extended-Langmuir model for multicomponent, such as flue gas mixture-adsorption data as investigated in this research work. The adsorption data was acquired from a high-pressure volumetric sorption system (HPVSS) experiment involving two South African coal samples from Ermelo and Somkhele coalfields with pure CO 2 and synthetic industrial flue gas to simulate emissions that are representative of a typical coal-fired power plant (12% CO 2 , 5.5% O 2 , 82% N 2 , 0.38% SO 2 , and 0.12% NO 2 ). The adsorption data was measured on 10 g samples with a mean size of 2 mm at temperatures ranging from 30 ºC to 60 ºC and pressure up to 9.0 MPa using the HPVSS. The statistical evaluation of the goodness-of-fit was done using three (3) statistical data analysis methods including correlation coefficient (R 2 ), standard deviation ( σ ), and standard error (SE). The Langmuir isotherm model conventionally fits the pure CO 2 gas experimental data better than Freundlich and Temkin. The Extended Langmuir gives best experimental data fit for the flue gas.","manuscriptTitle":"Modelling of pure CO2 and flue gas sorption data on South African coals using Langmuir, Freundlich, Temkin, and Extended Langmuir isotherm models","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2021-10-29 16:26:32","doi":"10.21203/rs.3.rs-1019889/v1","editorialEvents":[{"type":"communityComments","content":0},{"type":"reviewerAgreed","content":"","date":"2021-10-28T01:00:00+00:00","index":2,"fulltext":""},{"type":"reviewersInvited","content":"","date":"2021-10-28T00:00:00+00:00","index":"","fulltext":""},{"type":"reviewerAgreed","content":"","date":"2021-10-28T00:00:00+00:00","index":1,"fulltext":""},{"type":"editorAssigned","content":"","date":"2021-10-27T00:00:00+00:00","index":"","fulltext":""},{"type":"checksComplete","content":"","date":"2021-10-26T23:00:00+00:00","index":"","fulltext":""},{"type":"editorInvited","content":"","date":"2021-10-26T23:00:00+00:00","index":"","fulltext":""},{"type":"submitted","content":"","date":"2021-10-25T00:00:00+00:00","index":"","fulltext":""}],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"international-journal-of-coal-science-and-technology","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":false,"externalIdentity":"coal","sideBox":"Learn more about [International Journal of Coal Science \u0026 Technology](https://link.springer.com/journal/volumesAndIssues/40789)","snPcode":"","submissionUrl":"https://www.editorialmanager.com/COAL/default.aspx","title":"International Journal of Coal Science \u0026 Technology","twitterHandle":"","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"em","reportingPortfolio":"BMC/SO AJ","inReviewEnabled":false,"inReviewRevisionsEnabled":true}}],"origin":"","ownerIdentity":"d0d849f1-415f-4773-a1f0-03c1b409d717","owner":[],"postedDate":"October 29th, 2021","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"under-review","subjectAreas":[{"id":8181236,"name":"Chemical Engineering"},{"id":8181237,"name":"Materials Engineering"}],"tags":[],"updatedAt":"2021-10-29T16:26:32+00:00","versionOfRecord":[],"versionCreatedAt":"2021-10-29 16:26:32","video":"","vorDoi":"","vorDoiUrl":"","workflowStages":[]},"version":"v1","identity":"rs-1019889","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-1019889","identity":"rs-1019889","version":["v1"]},"buildId":"rHA-KDH7Qsr4HCuvH75dn","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}