{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,7]],"date-time":"2026-10-07T00:50:42Z","timestamp":1791334242779,"version":"4.3.1"},"reference-count":52,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2019,5,1]],"date-time":"2019-05-01T00:00:00Z","timestamp":1556668800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2019,5,1]],"date-time":"2019-05-01T00:00:00Z","timestamp":1556668800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["51206195"],"award-info":[{"award-number":["51206195"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100005230","name":"Natural Science Foundation of Chongqing","doi-asserted-by":"publisher","award":["cstc2013jcyjA90009"],"award-info":[{"award-number":["cstc2013jcyjA90009"]}],"id":[{"id":"10.13039\/501100005230","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Fundamental Research Funds for the Central Universities","award":["2018CDXYDL0001"],"award-info":[{"award-number":["2018CDXYDL0001"]}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Journal of Molecular Graphics and Modelling"],"published-print":{"date-parts":[[2019,5]]},"DOI":"10.1016\/j.jmgm.2019.01.003","type":"journal-article","created":{"date-parts":[[2019,1,9]],"date-time":"2019-01-09T11:42:43Z","timestamp":1547034163000},"page":"62-70","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":18,"special_numbering":"C","title":["Adsorption and diffusion of sulfur dioxide and nitrogen in single-wall carbon nanotubes"],"prefix":"10.1016","volume":"88","author":[{"given":"Zhiming","family":"Hu","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hui","family":"Xie","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Qin","family":"Wang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shiyong","family":"Chen","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.jmgm.2019.01.003_bib1","first-page":"1","article-title":"A\u00a0brief review of the World's energy consumption today","volume":"17","author":"Zhang","year":"2012","journal-title":"Sino-Global Energy"},{"key":"10.1016\/j.jmgm.2019.01.003_bib2","first-page":"119","article-title":"World energy: present and future","volume":"36","author":"Fan","year":"2011","journal-title":"Heat Treat. Metals"},{"key":"10.1016\/j.jmgm.2019.01.003_bib3","doi-asserted-by":"crossref","first-page":"1177","DOI":"10.1016\/j.energy.2018.01.093","article-title":"A\u00a0novel evolution tree for analyzing the global energy consumption structure","volume":"147","author":"Hu","year":"2018","journal-title":"Energy"},{"key":"10.1016\/j.jmgm.2019.01.003_bib4","article-title":"Current situation and development trend of sulfur dioxide emission from coal-fired power plants as well as control measures","volume":"1674\u20136708","author":"Jiang","year":"2012","journal-title":"Appl. Technol."},{"key":"10.1016\/j.jmgm.2019.01.003_bib5","doi-asserted-by":"crossref","first-page":"1899","DOI":"10.1016\/S0196-8904(99)00074-6","article-title":"Performance modelling of a carbon dioxide removal system for power plants","volume":"40","author":"Desideri","year":"1999","journal-title":"Energy Convers. Manag."},{"key":"10.1016\/j.jmgm.2019.01.003_bib6","doi-asserted-by":"crossref","first-page":"6311","DOI":"10.5194\/acp-10-6311-2010","article-title":"Sulfur dioxide emissions in China and sulfur trends in East Asia since 2000","volume":"10","author":"Lu","year":"2010","journal-title":"Atmos. Chem. Phys."},{"key":"10.1016\/j.jmgm.2019.01.003_bib7","first-page":"7","article-title":"The present situation of urban air pollution and its prevention","volume":"14","author":"Li","year":"2018","journal-title":"Rural Econ. Sci. Technol."},{"key":"10.1016\/j.jmgm.2019.01.003_bib8","doi-asserted-by":"crossref","first-page":"154","DOI":"10.1016\/j.ecoenv.2018.04.071","article-title":"Effects of sulfuric, nitric, and mixed acid rain on Chinese fir sapling growth in Southern China","volume":"160","author":"Liu","year":"2018","journal-title":"Ecotoxicol. Environ. Saf."},{"key":"10.1016\/j.jmgm.2019.01.003_bib9","doi-asserted-by":"crossref","first-page":"349","DOI":"10.1016\/0004-6981(88)90040-6","article-title":"Acid rain in southwestern China","volume":"22","author":"Zhao","year":"1988","journal-title":"Atmos. Environ."},{"key":"10.1016\/j.jmgm.2019.01.003_bib10","doi-asserted-by":"crossref","first-page":"362","DOI":"10.1016\/j.envpol.2007.06.012","article-title":"Human health effects of air pollution","volume":"151","author":"Kampa","year":"2008","journal-title":"Environ. Pollut."},{"key":"10.1016\/j.jmgm.2019.01.003_bib11","doi-asserted-by":"crossref","first-page":"20","DOI":"10.1016\/j.envpol.2013.10.032","article-title":"Contribution of nitrogen oxide and sulfur dioxide exposure from power plant emissions on respiratory symptom and disease prevalence","volume":"186","author":"Amster","year":"2014","journal-title":"Environ. Pollut."},{"key":"10.1016\/j.jmgm.2019.01.003_bib12","doi-asserted-by":"crossref","first-page":"2175","DOI":"10.1016\/S0196-8904(02)00230-3","article-title":"Temperature impact on SO2 removal efficiency by ammonia gas scrubbing","volume":"44","author":"He","year":"2003","journal-title":"Energy Convers. Manag."},{"key":"10.1016\/j.jmgm.2019.01.003_bib13","doi-asserted-by":"crossref","first-page":"2095","DOI":"10.1016\/0009-2509(88)87089-1","article-title":"Limestone based spray dry scrubbing of SO2","volume":"43","author":"Karlsson","year":"1988","journal-title":"Chem. Eng. Sci."},{"key":"10.1016\/j.jmgm.2019.01.003_bib14","doi-asserted-by":"crossref","first-page":"4628","DOI":"10.1021\/ie970111f","article-title":"Selective sulfur dioxide removal using organic solvents","volume":"36","author":"van Dam","year":"1997","journal-title":"Ind. Eng. Chem. Res."},{"key":"10.1016\/j.jmgm.2019.01.003_bib15","doi-asserted-by":"crossref","first-page":"4643","DOI":"10.1016\/S0009-2509(00)00090-7","article-title":"Use of limestone for SO2 removal from flue gas in the semidry FGD process with a powder-particle spouted bed","volume":"55","author":"Ma","year":"2000","journal-title":"Chem. Eng. Sci."},{"key":"10.1016\/j.jmgm.2019.01.003_bib16","doi-asserted-by":"crossref","first-page":"7502","DOI":"10.1021\/jp000479h","article-title":"Uptake of gas-phase SO2, H2S, and CO2 by aqueous solutions","volume":"104","author":"Boniface","year":"2000","journal-title":"J.\u00a0Phys. Chem. A"},{"key":"10.1016\/j.jmgm.2019.01.003_bib17","doi-asserted-by":"crossref","first-page":"8585","DOI":"10.1021\/es8015342","article-title":"A\u00a0new concept of desulfurization: the electrochemically driven and green conversion of SO2 to NaHSO4 in aqueous solution","volume":"42","author":"Wang","year":"2008","journal-title":"Environ. Sci. Technol."},{"key":"10.1016\/j.jmgm.2019.01.003_bib18","doi-asserted-by":"crossref","first-page":"3017","DOI":"10.1016\/j.scitotenv.2009.01.007","article-title":"Capture of CO2 from flue gas via multiwalled carbon nanotubes","volume":"407","author":"Su","year":"2009","journal-title":"Sci. Total Environ."},{"key":"10.1016\/j.jmgm.2019.01.003_bib19","doi-asserted-by":"crossref","first-page":"571","DOI":"10.1016\/j.cej.2010.03.070","article-title":"Enhancement of CO2 adsorption on high surface area activated carbon modified by N2, H2 and ammonia","volume":"160","author":"Zhang","year":"2010","journal-title":"Chem. Eng. J."},{"key":"10.1016\/j.jmgm.2019.01.003_bib20","doi-asserted-by":"crossref","first-page":"56","DOI":"10.1038\/354056a0","article-title":"Helical microtubules of graphitic carbon","volume":"354","author":"Iijima","year":"1991","journal-title":"Nature"},{"key":"10.1016\/j.jmgm.2019.01.003_bib21","doi-asserted-by":"crossref","first-page":"603","DOI":"10.1038\/363603a0","article-title":"Single-shell carbon nanotubes of 1nm diameter","volume":"363","author":"Iijima","year":"1993","journal-title":"Nature"},{"key":"10.1016\/j.jmgm.2019.01.003_bib22","doi-asserted-by":"crossref","first-page":"995","DOI":"10.1021\/ar700013c","article-title":"Molecular views of physical adsorption inside and outside of single-wall carbon nanotubes","volume":"40","author":"Kondratyuk","year":"2007","journal-title":"Acc. Chem. Res."},{"key":"10.1016\/j.jmgm.2019.01.003_bib23","doi-asserted-by":"crossref","first-page":"395","DOI":"10.1016\/j.cej.2010.08.045","article-title":"Carbon nanotubes as adsorbents in environmental pollution management: a review","volume":"170","author":"Ren","year":"2011","journal-title":"Chem. Eng. J."},{"key":"10.1016\/j.jmgm.2019.01.003_bib24","doi-asserted-by":"crossref","first-page":"761","DOI":"10.1016\/S0009-2614(03)01124-2","article-title":"CO2 adsorption in single-walled carbon nanotubes","volume":"376","author":"Cinke","year":"2003","journal-title":"Chem. Phys. Lett."},{"key":"10.1016\/j.jmgm.2019.01.003_bib25","doi-asserted-by":"crossref","first-page":"2530","DOI":"10.1080\/00268976.2016.1177665","article-title":"Diffusion of CO2\/CH4 confined in narrow carbon nanotube bundles","volume":"114","author":"Cao","year":"2016","journal-title":"Mol. Phys."},{"key":"10.1016\/j.jmgm.2019.01.003_bib26","doi-asserted-by":"crossref","first-page":"11912","DOI":"10.1021\/jp067226u","article-title":"Simulations of binary mixture adsorption of carbon dioxide and methane in carbon nanotubes: temperature, pressure, and pore size effects","volume":"111","author":"Huang","year":"2007","journal-title":"J.\u00a0Phys. Chem. C"},{"key":"10.1016\/j.jmgm.2019.01.003_bib27","first-page":"1","article-title":"Adsorption and diffusion of carbon dioxide and nitrogen through single-walled carbon nanotube membranes","volume":"124","author":"Skoulidas","year":"2006","journal-title":"J.\u00a0Chem. Phys."},{"key":"10.1016\/j.jmgm.2019.01.003_bib28","doi-asserted-by":"crossref","first-page":"6268","DOI":"10.1021\/la036432f","article-title":"Adsorption and diffusion of molecular nitrogen in single wall carbon nanotubes","volume":"20","author":"Gaurav","year":"2004","journal-title":"Langmuir"},{"key":"10.1016\/j.jmgm.2019.01.003_bib29","first-page":"1","article-title":"Flue gas adsorption by single-wall carbon nanotubes: a Monte Carlo study","volume":"145","author":"Romero-Hermida","year":"2016","journal-title":"J.\u00a0Chem. Phys."},{"key":"10.1016\/j.jmgm.2019.01.003_bib30","doi-asserted-by":"crossref","first-page":"4832","DOI":"10.1021\/es1043672","article-title":"Capture of trace sulfur gases from binary mixtures by single-walled carbon nanotube arrays: a molecular simulation study","volume":"45","author":"Wang","year":"2011","journal-title":"Environ. Sci. Technol."},{"key":"10.1016\/j.jmgm.2019.01.003_bib31","doi-asserted-by":"crossref","first-page":"7510","DOI":"10.1021\/acs.jpcc.5b08910","article-title":"Adsorption and condensation of SO2 in double-walled carbon nanotube Arrays studied by Monte Carlo simulations and simple analytical models","volume":"120","author":"Yang","year":"2016","journal-title":"J.\u00a0Phys. Chem. C"},{"key":"10.1016\/j.jmgm.2019.01.003_bib32","doi-asserted-by":"crossref","first-page":"24943","DOI":"10.1021\/jp307679h","article-title":"Simulation of water transport through functionalized single-walled carbon nanotubes (SWCNTs)","volume":"116","author":"Hughes","year":"2012","journal-title":"J.\u00a0Phys. Chem. C"},{"key":"10.1016\/j.jmgm.2019.01.003_bib33","doi-asserted-by":"crossref","first-page":"3023","DOI":"10.1021\/j100260a014","article-title":"Computer simulation of liquid sulfur dioxide comparison of model potentials","volume":"89","author":"Sokolic","year":"1985","journal-title":"J.\u00a0Phys. Chem."},{"key":"10.1016\/j.jmgm.2019.01.003_bib34","doi-asserted-by":"crossref","first-page":"293","DOI":"10.1007\/s10450-016-9850-5","article-title":"Adsorption of sulfur dioxide and mixtures with nitrogen at carbon nanotubes and graphene: molecular dynamics simulation and gravimetric adsorption experiments","volume":"23","author":"K\u00fchl","year":"2017","journal-title":"Adsorption"},{"key":"10.1016\/j.jmgm.2019.01.003_bib35","doi-asserted-by":"crossref","first-page":"4620","DOI":"10.1021\/la053062h","article-title":"Mass transport of O2 and N2 in nanoporous carbon using a quantum mechanical force field and molecular dynamics simulations","volume":"22","author":"Gaurav","year":"2006","journal-title":"Langmuir"},{"key":"10.1016\/j.jmgm.2019.01.003_bib36","doi-asserted-by":"crossref","first-page":"154","DOI":"10.1016\/j.apsusc.2017.06.120","article-title":"Selective ion transport in functionalized carbon nanotubes","volume":"423","author":"Samoylova","year":"2017","journal-title":"Appl. Surf. Sci."},{"key":"10.1016\/j.jmgm.2019.01.003_bib37","doi-asserted-by":"crossref","first-page":"25761","DOI":"10.1021\/jp064676d","article-title":"Molecular dynamics simulation study of the structural characteristics of water molecules confined in functionalized carbon nanotubes","volume":"110","author":"Huang","year":"2006","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"10.1016\/j.jmgm.2019.01.003_bib38","series-title":"Computer Simulation of Liquids","author":"Allan","year":"1987"},{"key":"10.1016\/j.jmgm.2019.01.003_bib39","series-title":"Understanding Molecular Simulation: from Algorithms to Applications","author":"Frenkel","year":"2002"},{"key":"10.1016\/j.jmgm.2019.01.003_bib40","series-title":"Computer Simulation and the Statistical Mechanics of Adsorption","author":"Nicolson","year":"1982"},{"key":"10.1016\/j.jmgm.2019.01.003_bib41","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1006\/jcph.1995.1039","article-title":"Fast parallel algorithms for short-range molecular dynamics","volume":"117","author":"Plimpton","year":"1995","journal-title":"J.\u00a0Comput. Phys."},{"key":"10.1016\/j.jmgm.2019.01.003_bib42","doi-asserted-by":"crossref","first-page":"2877","DOI":"10.1063\/1.126503","article-title":"Hydrogen storage in single-walled carbon nanotubes","volume":"76","author":"Lee","year":"2000","journal-title":"Appl. Phys. Lett."},{"key":"10.1016\/j.jmgm.2019.01.003_bib43","doi-asserted-by":"crossref","first-page":"1163","DOI":"10.1007\/s00894-010-0810-9","article-title":"Modeling the adsorptive selectivity of carbon nanotubes for effective separation of CO2\/N2 mixtures","volume":"17","author":"Razavi","year":"2011","journal-title":"J.\u00a0Mol. Model."},{"key":"10.1016\/j.jmgm.2019.01.003_bib44","first-page":"1","article-title":"A\u00a0Grand Canonical Monte Carlo study of SO2 capture using functionalized bilayer graphene nanoribbons","volume":"146","author":"Maurya","year":"2017","journal-title":"J.\u00a0Chem. Phys."},{"key":"10.1016\/j.jmgm.2019.01.003_bib45","doi-asserted-by":"crossref","first-page":"169","DOI":"10.1016\/j.jct.2014.01.024","article-title":"Thermodynamics of confined nano-phases","volume":"74","author":"Gubbins","year":"2014","journal-title":"J.\u00a0Chem. Thermodyn."},{"key":"10.1016\/j.jmgm.2019.01.003_bib46","doi-asserted-by":"crossref","first-page":"14007","DOI":"10.1039\/C5CP07422C","article-title":"Understanding adsorption of CO2, N2, CH4, and their mixtures in functionalized carbon nanopipe arrays","volume":"18","author":"Halder","year":"2016","journal-title":"Phys. Chem. Chem. Phys."},{"key":"10.1016\/j.jmgm.2019.01.003_bib47","doi-asserted-by":"crossref","first-page":"297","DOI":"10.1016\/S0378-3812(01)00667-7","article-title":"Simulation for separation of hydrogen and carbon monoxide by adsorption on single-walled carbon nanotubes","volume":"194\u2013197","author":"Gu","year":"2002","journal-title":"Fluid Phase Equilib."},{"key":"10.1016\/j.jmgm.2019.01.003_bib48","doi-asserted-by":"crossref","first-page":"39","DOI":"10.1039\/C4CP03939D","article-title":"Separating mixtures by exploiting molecular packing effects in microporous materials","volume":"17","author":"Krishna","year":"2015","journal-title":"Phys. Chem. Chem. Phys."},{"key":"10.1016\/j.jmgm.2019.01.003_bib49","first-page":"14","volume":"vol. 32","author":"Li","year":"2014"},{"key":"10.1016\/j.jmgm.2019.01.003_bib50","doi-asserted-by":"crossref","first-page":"62","DOI":"10.1016\/j.ces.2015.10.007","article-title":"Simulation of methane adsorption and diffusion in a carbon nanotube channel","volume":"140","author":"Yeganegi","year":"2016","journal-title":"Chem. Eng. Sci."},{"key":"10.1016\/j.jmgm.2019.01.003_bib51","doi-asserted-by":"crossref","first-page":"3487","DOI":"10.1016\/j.physleta.2017.09.003","article-title":"Transport of a simple liquid through carbon nanotubes: role of nanotube size","volume":"381","author":"Ahmed","year":"2017","journal-title":"Phys. Lett. A"},{"key":"10.1016\/j.jmgm.2019.01.003_bib52","series-title":"Molecular Dynamics Simulation of Molecular Diffusion in Nanoporous Materials","first-page":"05","author":"Zou","year":"2011"}],"container-title":["Journal of Molecular Graphics and Modelling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1093326318306557?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1093326318306557?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,10,21]],"date-time":"2025-10-21T20:59:59Z","timestamp":1761080399000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1093326318306557"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2019,5]]},"references-count":52,"alternative-id":["S1093326318306557"],"URL":"https:\/\/doi.org\/10.1016\/j.jmgm.2019.01.003","relation":{},"ISSN":["1093-3263"],"issn-type":[{"value":"1093-3263","type":"print"}],"subject":[],"published":{"date-parts":[[2019,5]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Adsorption and diffusion of sulfur dioxide and nitrogen in single-wall carbon nanotubes","name":"articletitle","label":"Article Title"},{"value":"Journal of Molecular Graphics and Modelling","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.jmgm.2019.01.003","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2019 Elsevier Inc. All rights reserved.","name":"copyright","label":"Copyright"}]}}