A. Yazdi, Azam Najafloo, Hossein Sakhaeinia, Amirhossein Saali, V. Pirouzfar
{"title":"The comparative modeling of solubility of carbon dioxide in amine solutions using SAFT-HR and PC-SAFT equation of state","authors":"A. Yazdi, Azam Najafloo, Hossein Sakhaeinia, Amirhossein Saali, V. Pirouzfar","doi":"10.3233/mgc-220064","DOIUrl":null,"url":null,"abstract":"In this paper, we applied PC-SAFT and SAFT-HR equations of state so as to reproduce the solubility of carbon dioxide in aqueous diethanolamine solution. By using these equations, we have been able to model the solubility of carbon dioxide in aqueous amine solution in more than 350 experimental data points with wide range of amine molar concentration (0.01–0.12), temperature (300 K –478 K), carbon dioxide partial pressure (0.0001 KPa –5473 KPa), and carbon dioxide loading (0.04 –1.1). Ternary systems including water, carbon dioxide and diethanolamine have also been modeled by PC-SAFT and SAFT-HR equations of state based on bubble pressure algorithm. Binary interaction parameters are set to zero to show the genuine capability of equations of state in reproducing such experimental data. Provided modeling results have been obtained from MATLAB R2019b software for PC-SAFT equation of state are less deviated with experimental data. Overall average relative deviation of SAFT-HR and PC-SAFT are 45.452% and 4.374% respectively which show that PC-SAFT is a robust equation of state in predicting the solubility data of carbon dioxide in aqueous alkanolamine solutions.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.3000,"publicationDate":"2022-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Main Group Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.3233/mgc-220064","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
In this paper, we applied PC-SAFT and SAFT-HR equations of state so as to reproduce the solubility of carbon dioxide in aqueous diethanolamine solution. By using these equations, we have been able to model the solubility of carbon dioxide in aqueous amine solution in more than 350 experimental data points with wide range of amine molar concentration (0.01–0.12), temperature (300 K –478 K), carbon dioxide partial pressure (0.0001 KPa –5473 KPa), and carbon dioxide loading (0.04 –1.1). Ternary systems including water, carbon dioxide and diethanolamine have also been modeled by PC-SAFT and SAFT-HR equations of state based on bubble pressure algorithm. Binary interaction parameters are set to zero to show the genuine capability of equations of state in reproducing such experimental data. Provided modeling results have been obtained from MATLAB R2019b software for PC-SAFT equation of state are less deviated with experimental data. Overall average relative deviation of SAFT-HR and PC-SAFT are 45.452% and 4.374% respectively which show that PC-SAFT is a robust equation of state in predicting the solubility data of carbon dioxide in aqueous alkanolamine solutions.
期刊介绍:
Main Group Chemistry is intended to be a primary resource for all chemistry, engineering, biological, and materials researchers in both academia and in industry with an interest in the elements from the groups 1, 2, 12–18, lanthanides and actinides. The journal is committed to maintaining a high standard for its publications. This will be ensured by a rigorous peer-review process with most articles being reviewed by at least one editorial board member. Additionally, all manuscripts will be proofread and corrected by a dedicated copy editor located at the University of Kentucky.