Molecular Simulation on Competitive Adsorptions of CO2, CH4, and N2 in Deep Coal Seams
In this paper we have simulated the competitive adsorption of CO 2 , CH 4, and N 2 gases in deep coal seams by building a graphite supercell structure and discussed the impact of pressure, pore size, and multicomponent composition on CH 4 desorption. The results show that the adsorption capacity of...
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| Veröffentlicht in: | Chemistry and technology of fuels and oils 2020, Vol.56 (4), p.619-626 |
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| creator | Yang, Zhaozhong Yang, Su Han, Jinxuan Li, Xiaogang Lu, Yanjun Ji, Guofa Fu, Qiang |
| description | In this paper we have simulated the competitive adsorption of CO
2
, CH
4,
and N
2
gases in deep coal seams by building a graphite supercell structure and discussed the impact of pressure, pore size, and multicomponent composition on CH
4
desorption. The results show that the adsorption capacity of a single component gas changes is in the order of CO
2
> CH
4
> N
2
. For the CH
4
/CO
2
competitive adsorption, absorbed CO
2
can reach saturation at low pressure conditions. CO
2
has an adsorptive advantage compared with CH
4
. It is shown that CO
2
can promote the CH
4
desorption by the displacement mechanism. For CH
4
/N
2
competitive adsorption, the adsorption capacity of N
2
is weaker than that of CH
4
, demonstrating that improvement in coalbed methane (CBM) production by N
2
injection is achieved by reducing the partial pressure and creating flow channels. The presence of H
2
O has a greater impact on the gas with a stronger adsorption capacity in the binary component system. For the CH/CO
2
/N
2
competitive adsorption, the CO
2
adsorption is dominant in 1 nm slit pores, while CH
4
adsorption is dominant in 2 nm slit pores. This indicates that when the pore diameter increases, the CO
2
/N
2
injection does not promote CH
4
desorption. H
2
O also has a significant impact on the competitive adsorption in the ternary component system. The strong interaction between H
2
O and CO
2
weakens the CO
2
adsorption capacity. |
| doi_str_mv | 10.1007/s10553-020-01175-x |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_journals_2473811081</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2473811081</sourcerecordid><originalsourceid>FETCH-LOGICAL-c271x-8937326ed71f6d6650269a935b4fa9d8ee17c61223d28bfe1e3622c70d9bfcc83</originalsourceid><addsrcrecordid>eNp9kF9LwzAUxYMoOKdfwKeAr4vem6xN-zjqnwnTPUx9DVmbSkfb1KST-u3NrOCbcOFwueecCz9CLhGuEUDeeIQoEgw4MECUERuOyAQjKVgiEI7JBABSJiDlp-TM-91hlVxMyNuTrU2-r7Wjm6oJ2le2pWEy23Smr_rq09BF4a3rDhdPbUmzNZ_RbDmfUd0W9JnTqqW3xnQho2u6Mbrx5-Sk1LU3F786Ja_3dy_Zkq3WD4_ZYsVyLnFgSSqk4LEpJJZxEccR8DjVqYi281KnRWIMyjxGzkXBk21p0IiY81xCkW7LPE_ElFyNvZ2zH3vje7Wze9eGl4rPpUgQIcHg4qMrd9Z7Z0rVuarR7kshqAM_NfJTgZ_64aeGEBJjyAdz-27cX_U_qW-tqXEL</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2473811081</pqid></control><display><type>article</type><title>Molecular Simulation on Competitive Adsorptions of CO2, CH4, and N2 in Deep Coal Seams</title><source>SpringerNature Journals</source><creator>Yang, Zhaozhong ; Yang, Su ; Han, Jinxuan ; Li, Xiaogang ; Lu, Yanjun ; Ji, Guofa ; Fu, Qiang</creator><creatorcontrib>Yang, Zhaozhong ; Yang, Su ; Han, Jinxuan ; Li, Xiaogang ; Lu, Yanjun ; Ji, Guofa ; Fu, Qiang</creatorcontrib><description>In this paper we have simulated the competitive adsorption of CO
2
, CH
4,
and N
2
gases in deep coal seams by building a graphite supercell structure and discussed the impact of pressure, pore size, and multicomponent composition on CH
4
desorption. The results show that the adsorption capacity of a single component gas changes is in the order of CO
2
> CH
4
> N
2
. For the CH
4
/CO
2
competitive adsorption, absorbed CO
2
can reach saturation at low pressure conditions. CO
2
has an adsorptive advantage compared with CH
4
. It is shown that CO
2
can promote the CH
4
desorption by the displacement mechanism. For CH
4
/N
2
competitive adsorption, the adsorption capacity of N
2
is weaker than that of CH
4
, demonstrating that improvement in coalbed methane (CBM) production by N
2
injection is achieved by reducing the partial pressure and creating flow channels. The presence of H
2
O has a greater impact on the gas with a stronger adsorption capacity in the binary component system. For the CH/CO
2
/N
2
competitive adsorption, the CO
2
adsorption is dominant in 1 nm slit pores, while CH
4
adsorption is dominant in 2 nm slit pores. This indicates that when the pore diameter increases, the CO
2
/N
2
injection does not promote CH
4
desorption. H
2
O also has a significant impact on the competitive adsorption in the ternary component system. The strong interaction between H
2
O and CO
2
weakens the CO
2
adsorption capacity.</description><identifier>ISSN: 0009-3092</identifier><identifier>EISSN: 1573-8310</identifier><identifier>DOI: 10.1007/s10553-020-01175-x</identifier><language>eng</language><publisher>New York: Springer US</publisher><subject>Adsorption ; Adsorptivity ; Carbon dioxide ; Chemistry ; Chemistry and Materials Science ; Coalbed methane ; Competition ; Desorption ; Geotechnical Engineering & Applied Earth Sciences ; Industrial Chemistry/Chemical Engineering ; Low pressure ; Methane ; Mineral Resources ; Partial pressure ; Pore size ; Porosity ; Strong interactions (field theory)</subject><ispartof>Chemistry and technology of fuels and oils, 2020, Vol.56 (4), p.619-626</ispartof><rights>Springer Science+Business Media, LLC, part of Springer Nature 2020</rights><rights>Springer Science+Business Media, LLC, part of Springer Nature 2020.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c271x-8937326ed71f6d6650269a935b4fa9d8ee17c61223d28bfe1e3622c70d9bfcc83</citedby></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s10553-020-01175-x$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1007/s10553-020-01175-x$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,780,784,27924,27925,41488,42557,51319</link.rule.ids></links><search><creatorcontrib>Yang, Zhaozhong</creatorcontrib><creatorcontrib>Yang, Su</creatorcontrib><creatorcontrib>Han, Jinxuan</creatorcontrib><creatorcontrib>Li, Xiaogang</creatorcontrib><creatorcontrib>Lu, Yanjun</creatorcontrib><creatorcontrib>Ji, Guofa</creatorcontrib><creatorcontrib>Fu, Qiang</creatorcontrib><title>Molecular Simulation on Competitive Adsorptions of CO2, CH4, and N2 in Deep Coal Seams</title><title>Chemistry and technology of fuels and oils</title><addtitle>Chem Technol Fuels Oils</addtitle><description>In this paper we have simulated the competitive adsorption of CO
2
, CH
4,
and N
2
gases in deep coal seams by building a graphite supercell structure and discussed the impact of pressure, pore size, and multicomponent composition on CH
4
desorption. The results show that the adsorption capacity of a single component gas changes is in the order of CO
2
> CH
4
> N
2
. For the CH
4
/CO
2
competitive adsorption, absorbed CO
2
can reach saturation at low pressure conditions. CO
2
has an adsorptive advantage compared with CH
4
. It is shown that CO
2
can promote the CH
4
desorption by the displacement mechanism. For CH
4
/N
2
competitive adsorption, the adsorption capacity of N
2
is weaker than that of CH
4
, demonstrating that improvement in coalbed methane (CBM) production by N
2
injection is achieved by reducing the partial pressure and creating flow channels. The presence of H
2
O has a greater impact on the gas with a stronger adsorption capacity in the binary component system. For the CH/CO
2
/N
2
competitive adsorption, the CO
2
adsorption is dominant in 1 nm slit pores, while CH
4
adsorption is dominant in 2 nm slit pores. This indicates that when the pore diameter increases, the CO
2
/N
2
injection does not promote CH
4
desorption. H
2
O also has a significant impact on the competitive adsorption in the ternary component system. The strong interaction between H
2
O and CO
2
weakens the CO
2
adsorption capacity.</description><subject>Adsorption</subject><subject>Adsorptivity</subject><subject>Carbon dioxide</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Coalbed methane</subject><subject>Competition</subject><subject>Desorption</subject><subject>Geotechnical Engineering & Applied Earth Sciences</subject><subject>Industrial Chemistry/Chemical Engineering</subject><subject>Low pressure</subject><subject>Methane</subject><subject>Mineral Resources</subject><subject>Partial pressure</subject><subject>Pore size</subject><subject>Porosity</subject><subject>Strong interactions (field theory)</subject><issn>0009-3092</issn><issn>1573-8310</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><recordid>eNp9kF9LwzAUxYMoOKdfwKeAr4vem6xN-zjqnwnTPUx9DVmbSkfb1KST-u3NrOCbcOFwueecCz9CLhGuEUDeeIQoEgw4MECUERuOyAQjKVgiEI7JBABSJiDlp-TM-91hlVxMyNuTrU2-r7Wjm6oJ2le2pWEy23Smr_rq09BF4a3rDhdPbUmzNZ_RbDmfUd0W9JnTqqW3xnQho2u6Mbrx5-Sk1LU3F786Ja_3dy_Zkq3WD4_ZYsVyLnFgSSqk4LEpJJZxEccR8DjVqYi281KnRWIMyjxGzkXBk21p0IiY81xCkW7LPE_ElFyNvZ2zH3vje7Wze9eGl4rPpUgQIcHg4qMrd9Z7Z0rVuarR7kshqAM_NfJTgZ_64aeGEBJjyAdz-27cX_U_qW-tqXEL</recordid><startdate>2020</startdate><enddate>2020</enddate><creator>Yang, Zhaozhong</creator><creator>Yang, Su</creator><creator>Han, Jinxuan</creator><creator>Li, Xiaogang</creator><creator>Lu, Yanjun</creator><creator>Ji, Guofa</creator><creator>Fu, Qiang</creator><general>Springer US</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>2020</creationdate><title>Molecular Simulation on Competitive Adsorptions of CO2, CH4, and N2 in Deep Coal Seams</title><author>Yang, Zhaozhong ; Yang, Su ; Han, Jinxuan ; Li, Xiaogang ; Lu, Yanjun ; Ji, Guofa ; Fu, Qiang</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c271x-8937326ed71f6d6650269a935b4fa9d8ee17c61223d28bfe1e3622c70d9bfcc83</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>Adsorption</topic><topic>Adsorptivity</topic><topic>Carbon dioxide</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Coalbed methane</topic><topic>Competition</topic><topic>Desorption</topic><topic>Geotechnical Engineering & Applied Earth Sciences</topic><topic>Industrial Chemistry/Chemical Engineering</topic><topic>Low pressure</topic><topic>Methane</topic><topic>Mineral Resources</topic><topic>Partial pressure</topic><topic>Pore size</topic><topic>Porosity</topic><topic>Strong interactions (field theory)</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Yang, Zhaozhong</creatorcontrib><creatorcontrib>Yang, Su</creatorcontrib><creatorcontrib>Han, Jinxuan</creatorcontrib><creatorcontrib>Li, Xiaogang</creatorcontrib><creatorcontrib>Lu, Yanjun</creatorcontrib><creatorcontrib>Ji, Guofa</creatorcontrib><creatorcontrib>Fu, Qiang</creatorcontrib><collection>CrossRef</collection><jtitle>Chemistry and technology of fuels and oils</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Yang, Zhaozhong</au><au>Yang, Su</au><au>Han, Jinxuan</au><au>Li, Xiaogang</au><au>Lu, Yanjun</au><au>Ji, Guofa</au><au>Fu, Qiang</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Molecular Simulation on Competitive Adsorptions of CO2, CH4, and N2 in Deep Coal Seams</atitle><jtitle>Chemistry and technology of fuels and oils</jtitle><stitle>Chem Technol Fuels Oils</stitle><date>2020</date><risdate>2020</risdate><volume>56</volume><issue>4</issue><spage>619</spage><epage>626</epage><pages>619-626</pages><issn>0009-3092</issn><eissn>1573-8310</eissn><abstract>In this paper we have simulated the competitive adsorption of CO
2
, CH
4,
and N
2
gases in deep coal seams by building a graphite supercell structure and discussed the impact of pressure, pore size, and multicomponent composition on CH
4
desorption. The results show that the adsorption capacity of a single component gas changes is in the order of CO
2
> CH
4
> N
2
. For the CH
4
/CO
2
competitive adsorption, absorbed CO
2
can reach saturation at low pressure conditions. CO
2
has an adsorptive advantage compared with CH
4
. It is shown that CO
2
can promote the CH
4
desorption by the displacement mechanism. For CH
4
/N
2
competitive adsorption, the adsorption capacity of N
2
is weaker than that of CH
4
, demonstrating that improvement in coalbed methane (CBM) production by N
2
injection is achieved by reducing the partial pressure and creating flow channels. The presence of H
2
O has a greater impact on the gas with a stronger adsorption capacity in the binary component system. For the CH/CO
2
/N
2
competitive adsorption, the CO
2
adsorption is dominant in 1 nm slit pores, while CH
4
adsorption is dominant in 2 nm slit pores. This indicates that when the pore diameter increases, the CO
2
/N
2
injection does not promote CH
4
desorption. H
2
O also has a significant impact on the competitive adsorption in the ternary component system. The strong interaction between H
2
O and CO
2
weakens the CO
2
adsorption capacity.</abstract><cop>New York</cop><pub>Springer US</pub><doi>10.1007/s10553-020-01175-x</doi><tpages>8</tpages></addata></record> |
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| identifier | ISSN: 0009-3092 |
| ispartof | Chemistry and technology of fuels and oils, 2020, Vol.56 (4), p.619-626 |
| issn | 0009-3092 1573-8310 |
| language | eng |
| recordid | cdi_proquest_journals_2473811081 |
| source | SpringerNature Journals |
| subjects | Adsorption Adsorptivity Carbon dioxide Chemistry Chemistry and Materials Science Coalbed methane Competition Desorption Geotechnical Engineering & Applied Earth Sciences Industrial Chemistry/Chemical Engineering Low pressure Methane Mineral Resources Partial pressure Pore size Porosity Strong interactions (field theory) |
| title | Molecular Simulation on Competitive Adsorptions of CO2, CH4, and N2 in Deep Coal Seams |
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