Research on adsorption characteristics of H2S, CH4, N2 in coal based on Monte Carlo method
In order to study the adsorption characteristics of H 2 S, CH 4 and N 2 by coal under different conditions, the new macromolecular structure model of Dongqu No. 2 was constructed, and the grand canonical Monte Carlo (GCMC) method was used to simulate the adsorption process of three types of gases in...
Gespeichert in:
| Veröffentlicht in: | Scientific reports 2020-12, Vol.10 (1), p.21882-21882, Article 21882 |
|---|---|
| Hauptverfasser: | , , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | 21882 |
|---|---|
| container_issue | 1 |
| container_start_page | 21882 |
| container_title | Scientific reports |
| container_volume | 10 |
| creator | Wang, Jiren Ding, Cong Gao, Dameng Liu, Hongpeng |
| description | In order to study the adsorption characteristics of H
2
S, CH
4
and N
2
by coal under different conditions, the new macromolecular structure model of Dongqu No. 2 was constructed, and the grand canonical Monte Carlo (GCMC) method was used to simulate the adsorption process of three types of gases in coal. The dependence of adsorption capacity of coal on its temperature, pressure and moisture content was analyzed. The results show that with the increase of pressure and temperature, adsorption isotherms of all the three gases follow Langmuir model. For pressure greater than 2 MPa, the influence of temperature on adsorption capacity was greater than that of pressure. With rise in temperature, the decrease in rate of H
2
S adsorption was least and drops in the heat of adsorption of H
2
S most. This indicates that the adsorption of H
2
S on coal is more stable than those of CH
4
and N
2
. As the water content of coal increased, its adsorption capacity for the present three gases decreased linearly, and the capacity for H
2
S (1.77 mmol/g) changed the most. The reduction of free volume linearly and preferential occupation of adsorption sites by water molecules are the main reasons for the highest change in the adsorbed amount of H
2
S gas. |
| doi_str_mv | 10.1038/s41598-020-78927-6 |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_doaj_</sourceid><recordid>TN_cdi_proquest_miscellaneous_2470280464</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><doaj_id>oai_doaj_org_article_7780c07f965d4e0aaa3008be2e6bb3ba</doaj_id><sourcerecordid>2473192835</sourcerecordid><originalsourceid>FETCH-LOGICAL-c554t-6182d3599e5e1bf6e6ca90c856deff552980798113250c70a6524689c1fff5e83</originalsourceid><addsrcrecordid>eNqNkk1v1DAQhiMEolXpH-AUiQsSDYw_Y1-QUARspQISHxcu1sSZ7GaVjRc7C-Lf422qQjkgfPHI87yvZqy3KB4zeM5AmBdJMmVNBRyq2lheV_peccpBqooLzu__UZ8U5yltIR_FrWT2YXEihGBGKXVafP1IiTD6TRmmErsU4n4ecuk3GNHPFIc0Dz6VoS9X_NNF2azkRfmel0NGAo5li4m6o_ZdmGYqG4xjKHc0b0L3qHjQ45jo_OY-K768ef25WVVXH95eNq-uKq-UnCvNDO-EspYUsbbXpD1a8Ebpjvpe5ZkN1NYwJrgCXwNqxaU21rM-t8mIs-Jy8e0Cbt0-DjuMP13AwV0_hLh2GPMSI7m6NuCh7q1WnSRARAFgWuKk21a0mL1eLl77Q7ujztM0RxzvmN7tTMPGrcP37Cy0MjwbPL0xiOHbgdLsdkPyNI44UTgkx2UN3IDUMqNP_kK34RCn_FVHSjDLjVCZ4gvlY0gpUn87DAN3TIJbkuByEtx1EpzOomeL6Ae1oU9-oMnTrTAnQQMwkDZX0mba_D_dDDMeE9KEwzRnqVikKePTmuLvHf4x3i-A0dLj</addsrcrecordid><sourcetype>Open Website</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2473192835</pqid></control><display><type>article</type><title>Research on adsorption characteristics of H2S, CH4, N2 in coal based on Monte Carlo method</title><source>Nature Free</source><source>DOAJ Directory of Open Access Journals</source><source>Web of Science - Science Citation Index Expanded - 2020<img src="https://exlibris-pub.s3.amazonaws.com/fromwos-v2.jpg" /></source><source>EZB-FREE-00999 freely available EZB journals</source><source>PubMed Central</source><source>Springer Nature OA/Free Journals</source><source>Free Full-Text Journals in Chemistry</source><creator>Wang, Jiren ; Ding, Cong ; Gao, Dameng ; Liu, Hongpeng</creator><creatorcontrib>Wang, Jiren ; Ding, Cong ; Gao, Dameng ; Liu, Hongpeng</creatorcontrib><description>In order to study the adsorption characteristics of H
2
S, CH
4
and N
2
by coal under different conditions, the new macromolecular structure model of Dongqu No. 2 was constructed, and the grand canonical Monte Carlo (GCMC) method was used to simulate the adsorption process of three types of gases in coal. The dependence of adsorption capacity of coal on its temperature, pressure and moisture content was analyzed. The results show that with the increase of pressure and temperature, adsorption isotherms of all the three gases follow Langmuir model. For pressure greater than 2 MPa, the influence of temperature on adsorption capacity was greater than that of pressure. With rise in temperature, the decrease in rate of H
2
S adsorption was least and drops in the heat of adsorption of H
2
S most. This indicates that the adsorption of H
2
S on coal is more stable than those of CH
4
and N
2
. As the water content of coal increased, its adsorption capacity for the present three gases decreased linearly, and the capacity for H
2
S (1.77 mmol/g) changed the most. The reduction of free volume linearly and preferential occupation of adsorption sites by water molecules are the main reasons for the highest change in the adsorbed amount of H
2
S gas.</description><identifier>ISSN: 2045-2322</identifier><identifier>EISSN: 2045-2322</identifier><identifier>DOI: 10.1038/s41598-020-78927-6</identifier><identifier>PMID: 33318555</identifier><language>eng</language><publisher>London: Nature Publishing Group UK</publisher><subject>639/4077 ; 704/2151 ; Adsorption ; Coal ; Gases ; Humanities and Social Sciences ; Hydrogen sulfide ; Macromolecules ; Methane ; Moisture content ; Monte Carlo simulation ; multidisciplinary ; Multidisciplinary Sciences ; Pressure ; Science ; Science & Technology ; Science & Technology - Other Topics ; Science (multidisciplinary) ; Water content</subject><ispartof>Scientific reports, 2020-12, Vol.10 (1), p.21882-21882, Article 21882</ispartof><rights>The Author(s) 2020</rights><rights>The Author(s) 2020. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>true</woscitedreferencessubscribed><woscitedreferencescount>9</woscitedreferencescount><woscitedreferencesoriginalsourcerecordid>wos000600104900049</woscitedreferencesoriginalsourcerecordid><citedby>FETCH-LOGICAL-c554t-6182d3599e5e1bf6e6ca90c856deff552980798113250c70a6524689c1fff5e83</citedby><cites>FETCH-LOGICAL-c554t-6182d3599e5e1bf6e6ca90c856deff552980798113250c70a6524689c1fff5e83</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC7736582/pdf/$$EPDF$$P50$$Gpubmedcentral$$Hfree_for_read</linktopdf><linktohtml>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC7736582/$$EHTML$$P50$$Gpubmedcentral$$Hfree_for_read</linktohtml><link.rule.ids>230,315,728,781,785,865,886,2103,2115,27929,27930,28253,41125,42194,51581,53796,53798</link.rule.ids></links><search><creatorcontrib>Wang, Jiren</creatorcontrib><creatorcontrib>Ding, Cong</creatorcontrib><creatorcontrib>Gao, Dameng</creatorcontrib><creatorcontrib>Liu, Hongpeng</creatorcontrib><title>Research on adsorption characteristics of H2S, CH4, N2 in coal based on Monte Carlo method</title><title>Scientific reports</title><addtitle>Sci Rep</addtitle><addtitle>SCI REP-UK</addtitle><description>In order to study the adsorption characteristics of H
2
S, CH
4
and N
2
by coal under different conditions, the new macromolecular structure model of Dongqu No. 2 was constructed, and the grand canonical Monte Carlo (GCMC) method was used to simulate the adsorption process of three types of gases in coal. The dependence of adsorption capacity of coal on its temperature, pressure and moisture content was analyzed. The results show that with the increase of pressure and temperature, adsorption isotherms of all the three gases follow Langmuir model. For pressure greater than 2 MPa, the influence of temperature on adsorption capacity was greater than that of pressure. With rise in temperature, the decrease in rate of H
2
S adsorption was least and drops in the heat of adsorption of H
2
S most. This indicates that the adsorption of H
2
S on coal is more stable than those of CH
4
and N
2
. As the water content of coal increased, its adsorption capacity for the present three gases decreased linearly, and the capacity for H
2
S (1.77 mmol/g) changed the most. The reduction of free volume linearly and preferential occupation of adsorption sites by water molecules are the main reasons for the highest change in the adsorbed amount of H
2
S gas.</description><subject>639/4077</subject><subject>704/2151</subject><subject>Adsorption</subject><subject>Coal</subject><subject>Gases</subject><subject>Humanities and Social Sciences</subject><subject>Hydrogen sulfide</subject><subject>Macromolecules</subject><subject>Methane</subject><subject>Moisture content</subject><subject>Monte Carlo simulation</subject><subject>multidisciplinary</subject><subject>Multidisciplinary Sciences</subject><subject>Pressure</subject><subject>Science</subject><subject>Science & Technology</subject><subject>Science & Technology - Other Topics</subject><subject>Science (multidisciplinary)</subject><subject>Water content</subject><issn>2045-2322</issn><issn>2045-2322</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><sourceid>C6C</sourceid><sourceid>AOWDO</sourceid><sourceid>ABUWG</sourceid><sourceid>AFKRA</sourceid><sourceid>AZQEC</sourceid><sourceid>BENPR</sourceid><sourceid>CCPQU</sourceid><sourceid>DWQXO</sourceid><sourceid>GNUQQ</sourceid><sourceid>DOA</sourceid><recordid>eNqNkk1v1DAQhiMEolXpH-AUiQsSDYw_Y1-QUARspQISHxcu1sSZ7GaVjRc7C-Lf422qQjkgfPHI87yvZqy3KB4zeM5AmBdJMmVNBRyq2lheV_peccpBqooLzu__UZ8U5yltIR_FrWT2YXEihGBGKXVafP1IiTD6TRmmErsU4n4ecuk3GNHPFIc0Dz6VoS9X_NNF2azkRfmel0NGAo5li4m6o_ZdmGYqG4xjKHc0b0L3qHjQ45jo_OY-K768ef25WVVXH95eNq-uKq-UnCvNDO-EspYUsbbXpD1a8Ebpjvpe5ZkN1NYwJrgCXwNqxaU21rM-t8mIs-Jy8e0Cbt0-DjuMP13AwV0_hLh2GPMSI7m6NuCh7q1WnSRARAFgWuKk21a0mL1eLl77Q7ujztM0RxzvmN7tTMPGrcP37Cy0MjwbPL0xiOHbgdLsdkPyNI44UTgkx2UN3IDUMqNP_kK34RCn_FVHSjDLjVCZ4gvlY0gpUn87DAN3TIJbkuByEtx1EpzOomeL6Ae1oU9-oMnTrTAnQQMwkDZX0mba_D_dDDMeE9KEwzRnqVikKePTmuLvHf4x3i-A0dLj</recordid><startdate>20201214</startdate><enddate>20201214</enddate><creator>Wang, Jiren</creator><creator>Ding, Cong</creator><creator>Gao, Dameng</creator><creator>Liu, Hongpeng</creator><general>Nature Publishing Group UK</general><general>NATURE PORTFOLIO</general><general>Nature Publishing Group</general><general>Nature Portfolio</general><scope>C6C</scope><scope>AOWDO</scope><scope>BLEPL</scope><scope>DTL</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>3V.</scope><scope>7X7</scope><scope>7XB</scope><scope>88A</scope><scope>88E</scope><scope>88I</scope><scope>8FE</scope><scope>8FH</scope><scope>8FI</scope><scope>8FJ</scope><scope>8FK</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>AZQEC</scope><scope>BBNVY</scope><scope>BENPR</scope><scope>BHPHI</scope><scope>CCPQU</scope><scope>DWQXO</scope><scope>FYUFA</scope><scope>GHDGH</scope><scope>GNUQQ</scope><scope>HCIFZ</scope><scope>K9.</scope><scope>LK8</scope><scope>M0S</scope><scope>M1P</scope><scope>M2P</scope><scope>M7P</scope><scope>PIMPY</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>Q9U</scope><scope>7X8</scope><scope>5PM</scope><scope>DOA</scope></search><sort><creationdate>20201214</creationdate><title>Research on adsorption characteristics of H2S, CH4, N2 in coal based on Monte Carlo method</title><author>Wang, Jiren ; Ding, Cong ; Gao, Dameng ; Liu, Hongpeng</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c554t-6182d3599e5e1bf6e6ca90c856deff552980798113250c70a6524689c1fff5e83</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>639/4077</topic><topic>704/2151</topic><topic>Adsorption</topic><topic>Coal</topic><topic>Gases</topic><topic>Humanities and Social Sciences</topic><topic>Hydrogen sulfide</topic><topic>Macromolecules</topic><topic>Methane</topic><topic>Moisture content</topic><topic>Monte Carlo simulation</topic><topic>multidisciplinary</topic><topic>Multidisciplinary Sciences</topic><topic>Pressure</topic><topic>Science</topic><topic>Science & Technology</topic><topic>Science & Technology - Other Topics</topic><topic>Science (multidisciplinary)</topic><topic>Water content</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Wang, Jiren</creatorcontrib><creatorcontrib>Ding, Cong</creatorcontrib><creatorcontrib>Gao, Dameng</creatorcontrib><creatorcontrib>Liu, Hongpeng</creatorcontrib><collection>Springer Nature OA/Free Journals</collection><collection>Web of Science - Science Citation Index Expanded - 2020</collection><collection>Web of Science Core Collection</collection><collection>Science Citation Index Expanded</collection><collection>CrossRef</collection><collection>ProQuest Central (Corporate)</collection><collection>Health & Medical Collection</collection><collection>ProQuest Central (purchase pre-March 2016)</collection><collection>Biology Database (Alumni Edition)</collection><collection>Medical Database (Alumni Edition)</collection><collection>Science Database (Alumni Edition)</collection><collection>ProQuest SciTech Collection</collection><collection>ProQuest Natural Science Collection</collection><collection>Hospital Premium Collection</collection><collection>Hospital Premium Collection (Alumni Edition)</collection><collection>ProQuest Central (Alumni) (purchase pre-March 2016)</collection><collection>ProQuest Central (Alumni Edition)</collection><collection>ProQuest Central UK/Ireland</collection><collection>ProQuest Central Essentials</collection><collection>Biological Science Collection</collection><collection>ProQuest Central</collection><collection>Natural Science Collection</collection><collection>ProQuest One Community College</collection><collection>ProQuest Central Korea</collection><collection>Health Research Premium Collection</collection><collection>Health Research Premium Collection (Alumni)</collection><collection>ProQuest Central Student</collection><collection>SciTech Premium Collection</collection><collection>ProQuest Health & Medical Complete (Alumni)</collection><collection>ProQuest Biological Science Collection</collection><collection>Health & Medical Collection (Alumni Edition)</collection><collection>Medical Database</collection><collection>Science Database</collection><collection>Biological Science Database</collection><collection>Publicly Available Content Database</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central Basic</collection><collection>MEDLINE - Academic</collection><collection>PubMed Central (Full Participant titles)</collection><collection>DOAJ Directory of Open Access Journals</collection><jtitle>Scientific reports</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Wang, Jiren</au><au>Ding, Cong</au><au>Gao, Dameng</au><au>Liu, Hongpeng</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Research on adsorption characteristics of H2S, CH4, N2 in coal based on Monte Carlo method</atitle><jtitle>Scientific reports</jtitle><stitle>Sci Rep</stitle><stitle>SCI REP-UK</stitle><date>2020-12-14</date><risdate>2020</risdate><volume>10</volume><issue>1</issue><spage>21882</spage><epage>21882</epage><pages>21882-21882</pages><artnum>21882</artnum><issn>2045-2322</issn><eissn>2045-2322</eissn><abstract>In order to study the adsorption characteristics of H
2
S, CH
4
and N
2
by coal under different conditions, the new macromolecular structure model of Dongqu No. 2 was constructed, and the grand canonical Monte Carlo (GCMC) method was used to simulate the adsorption process of three types of gases in coal. The dependence of adsorption capacity of coal on its temperature, pressure and moisture content was analyzed. The results show that with the increase of pressure and temperature, adsorption isotherms of all the three gases follow Langmuir model. For pressure greater than 2 MPa, the influence of temperature on adsorption capacity was greater than that of pressure. With rise in temperature, the decrease in rate of H
2
S adsorption was least and drops in the heat of adsorption of H
2
S most. This indicates that the adsorption of H
2
S on coal is more stable than those of CH
4
and N
2
. As the water content of coal increased, its adsorption capacity for the present three gases decreased linearly, and the capacity for H
2
S (1.77 mmol/g) changed the most. The reduction of free volume linearly and preferential occupation of adsorption sites by water molecules are the main reasons for the highest change in the adsorbed amount of H
2
S gas.</abstract><cop>London</cop><pub>Nature Publishing Group UK</pub><pmid>33318555</pmid><doi>10.1038/s41598-020-78927-6</doi><tpages>10</tpages><oa>free_for_read</oa></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 2045-2322 |
| ispartof | Scientific reports, 2020-12, Vol.10 (1), p.21882-21882, Article 21882 |
| issn | 2045-2322 2045-2322 |
| language | eng |
| recordid | cdi_proquest_miscellaneous_2470280464 |
| source | Nature Free; DOAJ Directory of Open Access Journals; Web of Science - Science Citation Index Expanded - 2020<img src="https://exlibris-pub.s3.amazonaws.com/fromwos-v2.jpg" />; EZB-FREE-00999 freely available EZB journals; PubMed Central; Springer Nature OA/Free Journals; Free Full-Text Journals in Chemistry |
| subjects | 639/4077 704/2151 Adsorption Coal Gases Humanities and Social Sciences Hydrogen sulfide Macromolecules Methane Moisture content Monte Carlo simulation multidisciplinary Multidisciplinary Sciences Pressure Science Science & Technology Science & Technology - Other Topics Science (multidisciplinary) Water content |
| title | Research on adsorption characteristics of H2S, CH4, N2 in coal based on Monte Carlo method |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-13T00%3A02%3A09IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_doaj_&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Research%20on%20adsorption%20characteristics%20of%20H2S,%20CH4,%20N2%20in%20coal%20based%20on%20Monte%20Carlo%20method&rft.jtitle=Scientific%20reports&rft.au=Wang,%20Jiren&rft.date=2020-12-14&rft.volume=10&rft.issue=1&rft.spage=21882&rft.epage=21882&rft.pages=21882-21882&rft.artnum=21882&rft.issn=2045-2322&rft.eissn=2045-2322&rft_id=info:doi/10.1038/s41598-020-78927-6&rft_dat=%3Cproquest_doaj_%3E2473192835%3C/proquest_doaj_%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=2473192835&rft_id=info:pmid/33318555&rft_doaj_id=oai_doaj_org_article_7780c07f965d4e0aaa3008be2e6bb3ba&rfr_iscdi=true |