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Modeling of Supercritical CO(2) Adsorption for Low-Permeability Coal Seam of Huainan–Huaibei Coalfield, China

[Image: see text] Investigating the coal adsorption behavior on supercritical CO(2) (ScCO(2)) is crucial for long-term CO(2) geological storage. In this paper, low-permeability coal samples from the Huainan–Huaibei coalfields in China were selected. The high-pressure isothermal adsorption of CO(2) w...

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Autores principales: Fan, Zhengpu, Liu, Huihu, Liu, Junlin, Xue, Sheng, Zhang, Kun, Xu, Hongjie, Fang, Huihuang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10666229/
https://www.ncbi.nlm.nih.gov/pubmed/38027326
http://dx.doi.org/10.1021/acsomega.3c06599
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author Fan, Zhengpu
Liu, Huihu
Liu, Junlin
Xue, Sheng
Zhang, Kun
Xu, Hongjie
Fang, Huihuang
author_facet Fan, Zhengpu
Liu, Huihu
Liu, Junlin
Xue, Sheng
Zhang, Kun
Xu, Hongjie
Fang, Huihuang
author_sort Fan, Zhengpu
collection PubMed
description [Image: see text] Investigating the coal adsorption behavior on supercritical CO(2) (ScCO(2)) is crucial for long-term CO(2) geological storage. In this paper, low-permeability coal samples from the Huainan–Huaibei coalfields in China were selected. The high-pressure isothermal adsorption of CO(2) was carried out at 36, 42, and 48 °C. The results of adsorption experiments were analyzed by fitting 9 types of modified adsorption models, including three different adsorption theories. Considering that different adsorption mechanisms may exist for CO(2) in coal, 14 mixed adsorption models were established. The accuracy of the coefficient of determination (R(2)) and root-mean-square error (RMSE) for ScCO(2) excess adsorption capacity was analyzed, mainly focusing on the accuracy of the key model parameters such as the adsorption phase density and the theoretical adsorption capacity. These parameters were discussed, combined with the predicted adsorption phase density of CO(2) based on the intercept method. The results indicate that among the 9 types of modified adsorption considered, based on the adsorption phase density screening, the deviation of the predicted adsorption capacity from the experimental value was then considered. The Dubinin–Radushkevich (DR) model can effectively fit the adsorption behavior of CO(2) at low pressure (<7.5 MPa). The Langmuir (L), Langmuir–Freundlich (LF), Extended-Langmuir (EL), and TOTH models can effectively fit the adsorption behavior of CO(2) at high pressure (7.5–20 MPa), while the multimolecular layer models were unsuitable for fitting ScCO(2) adsorption. The model fitting results showed that only the monomolecular layer and micropore-filled adsorption models were suitable for fitting the ScCO(2) adsorption capacity. The DR-LF model best fits the adsorption data based on its key parameters of adsorption phase density and theoretical adsorption capacity. The established mixed model DR-LF fitting results showed that the CO(2) in coal was dominated by microporous filling adsorption. The higher the temperature, the greater the contribution of microporous filling adsorption to the total adsorption. There still exists deviation in the adsorption phase density and theoretical adsorption capacity. The contribution percentage of different adsorption mechanisms of CO(2) in coal needs to be further investigated.
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spelling pubmed-106662292023-11-10 Modeling of Supercritical CO(2) Adsorption for Low-Permeability Coal Seam of Huainan–Huaibei Coalfield, China Fan, Zhengpu Liu, Huihu Liu, Junlin Xue, Sheng Zhang, Kun Xu, Hongjie Fang, Huihuang ACS Omega [Image: see text] Investigating the coal adsorption behavior on supercritical CO(2) (ScCO(2)) is crucial for long-term CO(2) geological storage. In this paper, low-permeability coal samples from the Huainan–Huaibei coalfields in China were selected. The high-pressure isothermal adsorption of CO(2) was carried out at 36, 42, and 48 °C. The results of adsorption experiments were analyzed by fitting 9 types of modified adsorption models, including three different adsorption theories. Considering that different adsorption mechanisms may exist for CO(2) in coal, 14 mixed adsorption models were established. The accuracy of the coefficient of determination (R(2)) and root-mean-square error (RMSE) for ScCO(2) excess adsorption capacity was analyzed, mainly focusing on the accuracy of the key model parameters such as the adsorption phase density and the theoretical adsorption capacity. These parameters were discussed, combined with the predicted adsorption phase density of CO(2) based on the intercept method. The results indicate that among the 9 types of modified adsorption considered, based on the adsorption phase density screening, the deviation of the predicted adsorption capacity from the experimental value was then considered. The Dubinin–Radushkevich (DR) model can effectively fit the adsorption behavior of CO(2) at low pressure (<7.5 MPa). The Langmuir (L), Langmuir–Freundlich (LF), Extended-Langmuir (EL), and TOTH models can effectively fit the adsorption behavior of CO(2) at high pressure (7.5–20 MPa), while the multimolecular layer models were unsuitable for fitting ScCO(2) adsorption. The model fitting results showed that only the monomolecular layer and micropore-filled adsorption models were suitable for fitting the ScCO(2) adsorption capacity. The DR-LF model best fits the adsorption data based on its key parameters of adsorption phase density and theoretical adsorption capacity. The established mixed model DR-LF fitting results showed that the CO(2) in coal was dominated by microporous filling adsorption. The higher the temperature, the greater the contribution of microporous filling adsorption to the total adsorption. There still exists deviation in the adsorption phase density and theoretical adsorption capacity. The contribution percentage of different adsorption mechanisms of CO(2) in coal needs to be further investigated. American Chemical Society 2023-11-10 /pmc/articles/PMC10666229/ /pubmed/38027326 http://dx.doi.org/10.1021/acsomega.3c06599 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Fan, Zhengpu
Liu, Huihu
Liu, Junlin
Xue, Sheng
Zhang, Kun
Xu, Hongjie
Fang, Huihuang
Modeling of Supercritical CO(2) Adsorption for Low-Permeability Coal Seam of Huainan–Huaibei Coalfield, China
title Modeling of Supercritical CO(2) Adsorption for Low-Permeability Coal Seam of Huainan–Huaibei Coalfield, China
title_full Modeling of Supercritical CO(2) Adsorption for Low-Permeability Coal Seam of Huainan–Huaibei Coalfield, China
title_fullStr Modeling of Supercritical CO(2) Adsorption for Low-Permeability Coal Seam of Huainan–Huaibei Coalfield, China
title_full_unstemmed Modeling of Supercritical CO(2) Adsorption for Low-Permeability Coal Seam of Huainan–Huaibei Coalfield, China
title_short Modeling of Supercritical CO(2) Adsorption for Low-Permeability Coal Seam of Huainan–Huaibei Coalfield, China
title_sort modeling of supercritical co(2) adsorption for low-permeability coal seam of huainan–huaibei coalfield, china
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10666229/
https://www.ncbi.nlm.nih.gov/pubmed/38027326
http://dx.doi.org/10.1021/acsomega.3c06599
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