Article(id=1324025115205304553, tenantId=1146029695717560320, journalId=1255847867265597444, issueId=1324025103306072959, articleNumber=null, orderNo=null, doi=null, pmid=null, cstr=null, oa=null, hot=null, price=null, onlineType=0, articleFormat=0, articleType=null, articleTypeStr=null, receivedDate=1239724800000, receivedDateStr=2009-04-15, revisedDate=1245945600000, revisedDateStr=2009-06-26, acceptedDate=null, acceptedDateStr=null, onlineDate=1793601786662, onlineDateStr=2026-11-02, pubDate=1281801600000, pubDateStr=2010-08-15, doiRegisterDate=null, doiRegisterDateStr=null, onlineIssueDate=1793601786662, onlineIssueDateStr=2026-11-02, onlineJustAcceptDate=null, onlineJustAcceptDateStr=null, onlineFirstDate=null, onlineFirstDateStr=null, sourceXml=null, magXml=null, createTime=1793601786662, creator=13701087609, updateTime=1793601786662, updator=13701087609, issue=Issue{id=1324025103306072959, tenantId=1146029695717560320, journalId=1255847867265597444, year='2010', volume='24', issue='4', pageStart='241', pageEnd='320', issueExtLink='null', onlineDate='null', pubDate='1281801600000', pubDateStr='2010-08-15', beforeIssueId=null, nextIssueId=null, price=null, status=1, issueComplete=1, articleOrder=1, issueType=-1, specialIssue=null, createTime=1793601783825, creator='13701087609', updateTime=1793602712251, updator='13701087609', preIssue=null, nextIssue=null, articleTotal=null, ext={EN=IssueExt(id=1324028997528584361, tenantId=1146029695717560320, journalId=1255847867265597444, issueId=1324025103306072959, language=EN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=), CN=IssueExt(id=1324028997528584362, tenantId=1146029695717560320, journalId=1255847867265597444, issueId=1324025103306072959, language=CN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=)}, issueFiles=null, downloadFileDto=null}, startPage=271, endPage=278, ext={EN=ArticleExt(id=1324025115373076714, articleId=1324025115205304553, tenantId=1146029695717560320, journalId=1255847867265597444, language=EN, title=Molecular Dynamics Simulation of CO₂-Expanded Liquids, columnId=null, journalTitle=Chinese Journal of High Pressure Physics, columnName=null, runingTitle=null, highlight=null, articleAbstract=

Thermodynamic and transport properties of CO₂-expanded methanol system and CO₂-expanded ethanol system, as well as the diffusivities of p-chloronitrobenzene/CO₂-expanded methanol system and benzonitrile/CO₂-expanded ethanol system were modeled with molecular dynamics simulation method. The density data obtained in CO₂-expanded methanol system are slightly higher than the experimental ones, while that achieved from CO₂-expanded ethanol system are very close to the experimental results. Simulation results show that the volume of methanol or ethanol solutions can be expanded significantly by CO₂. When the mole fraction of CO₂ reaches 50%, the volume swelling of the solution is 100%. In addition, the diffusion coefficients of CO₂, methanol, ethanol, p-chloronitrobenzene and benzonitrile were simulated, in which p-chloronitrobenzene and benzonitrile are similar to experimental data. Finally, viscosities of two expanded liquids are correlated by their diffusion coefficients, which is in agreement with the calculated results of modified Wilke-Chang equation.

, authors=Wei-Bin WANG, Jian-Zhong YIN, authorsList=Wei-Bin WANG, Jian-Zhong YIN, authorCompany=null, correspAuthors=Jian-Zhong YIN, authorNote=null, correspAuthorsNote=null, copyrightStatement=null, copyrightOwner=null, extLink=null, articleAbsUrl=null, sourceXml=null, magXml=null, pdfUrl=null, pdf=null, pdfFileSize=null, pdfExtLink=null, richHtmlUrl=null, mobilePdfUrl=null, reviewReport=null, pdfFirstPage=null, abstractGraph=null, abstractGraphContent=null, abstractVideo=null, citation=null, cebUrl=null, magXmlContent=null, mapNumber=null, fund=null), CN=ArticleExt(id=1324025115624734955, articleId=1324025115205304553, tenantId=1146029695717560320, journalId=1255847867265597444, language=CN, title=CO₂膨胀液体的分子动力学模拟, columnId=0, journalTitle=高压物理学报, columnName=, runingTitle=null, highlight=null, articleAbstract=

采用分子动力学方法，模拟了CO₂膨胀甲醇体系、CO₂膨胀乙醇体系的热力学性质和输运性质，以及对氯硝基苯在CO₂膨胀甲醇体系、苯甲腈在CO₂膨胀乙醇体系中的扩散性质。CO₂膨胀甲醇体系的密度模拟值略高于实验值，而CO₂膨胀乙醇体系的密度模拟值与实验值非常接近。模拟结果表明：CO₂使甲醇和乙醇溶液的膨胀非常明显，当CO₂的摩尔分数达到0.5时，溶液膨胀约100%；得到了CO₂、甲醇、乙醇、对氯硝基苯以及苯甲腈的扩散系数，其中对氯硝基苯和苯甲腈在两种膨胀液体中的扩散系数与实验结果接近；通过扩散系数关联了两种膨胀液体的粘度，计算结果与修正的Wilke-Chang方程得到的体系粘度规律一致。

, authors=王伟彬, 银建中, authorsList=王伟彬, 银建中, authorCompany=null, correspAuthors=银建中, authorNote=, correspAuthorsNote=, copyrightStatement=null, copyrightOwner=null, extLink=null, articleAbsUrl=null, sourceXml=5+SveAVtP+O/JZSYTsla8Q==, magXml=KVjfC31RAuhHgVye/wEZ7Q==, pdfUrl=null, pdf=2NTeRRB9MNOhITa2kTz7kw==, pdfFileSize=935811, pdfExtLink=null, richHtmlUrl=null, mobilePdfUrl=null, reviewReport=null, pdfFirstPage=null, abstractGraph=null, abstractGraphContent=null, abstractVideo=null, citation=null, cebUrl=null, magXmlContent=yU5ksxYgx1O3e+2d9Gys3g==, mapNumber=null, fund=null)}, authors=[Author(id=1324025116060942576, tenantId=1146029695717560320, journalId=1255847867265597444, articleId=1324025115205304553, orderNo=0, firstName=null, middleName=null, lastName=null, nameCn=null, orcid=null, stid=null, country=null, authorPic=null, dead=0, email=weibinbest@yahoo.com.cn, emailSecond=null, emailThird=null, correspondingAuthor=0, authorType=1, ext={EN=AuthorExt(id=1324025116144828658, tenantId=1146029695717560320, journalId=1255847867265597444, articleId=1324025115205304553, authorId=1324025116060942576, language=EN, stringName=Wei-Bin WANG, firstName=Wei-Bin, middleName=null, lastName=WANG, prefix=null, suffix=null, authorComment=null, nameInitials=null, affiliation=null, department=null, xref=null, address=School of Chemical Engineering, Dalian University of Technology, Dalian 116012, China, bio=null, bioImg=null, bioContent=null, aboutCorrespAuthor=null), CN=AuthorExt(id=1324025116232909043, tenantId=1146029695717560320, journalId=1255847867265597444, articleId=1324025115205304553, authorId=1324025116060942576, language=CN, stringName=王伟彬, firstName=null, middleName=null, lastName=null, prefix=null, suffix=null, authorComment=null, nameInitials=null, affiliation=null, department=null, xref=null, address=大连理工大学化工学院，辽宁 大连　116012, bio={"content":"

王伟彬（1982—），男，硕士，主要从事超临界流体科学与技术研究. E-mail：weibinbest@yahoo.com.cn

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王伟彬（1982—），男，硕士，主要从事超临界流体科学与技术研究. E-mail：weibinbest@yahoo.com.cn

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