Is there a third order phase transition for supercritical fluids?
We prove that according to Molecular Dynamics (MD) simulations of liquid mixtures of Lennard-Jones (L-J) particles, there is no third order phase transition in the supercritical regime beyond Andrew's critical point. This result is in open contrast with recent theoretical studies and experiment...
Gespeichert in:
| Veröffentlicht in: | The Journal of chemical physics 2014-01, Vol.140 (1), p.014502-014502 |
|---|---|
| Hauptverfasser: | , , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | 014502 |
|---|---|
| container_issue | 1 |
| container_start_page | 014502 |
| container_title | The Journal of chemical physics |
| container_volume | 140 |
| creator | Zhu, Jinglong Zhang, Pingwen Wang, Han Site, Luigi Delle |
| description | We prove that according to Molecular Dynamics (MD) simulations of liquid mixtures of Lennard-Jones (L-J) particles, there is no third order phase transition in the supercritical regime beyond Andrew's critical point. This result is in open contrast with recent theoretical studies and experiments which instead suggest not only its existence but also its universality regarding the chemical nature of the fluid. We argue that our results are solid enough to go beyond the limitations of MD and the generic character of L-J models, thus suggesting a rather smooth liquid-vapor thermodynamic behavior of fluids in supercritical regime. |
| doi_str_mv | 10.1063/1.4855656 |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_osti_</sourceid><recordid>TN_cdi_osti_scitechconnect_22253668</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>1490713582</sourcerecordid><originalsourceid>FETCH-LOGICAL-c341t-7cb4caf37a7ed0db514499e3c3cf50400ba78b986b07ece2bdd73877a5aa04e33</originalsourceid><addsrcrecordid>eNpFkEtLw0AURgdRbK0u_AMScKOL1DvvZCWl-CgU3Oh6mExuaEqaiTPJwn9vSmtdfXA5HLiHkFsKcwqKP9G5yKRUUp2RKYUsT7XK4ZxMARhNcwVqQq5i3AIA1UxckgkTggJj2ZQsVjHpNxgwsePWoUx8KDEk3cZGTPpg21j3tW-TyockDh0GF8aDs01SNUNdxudrclHZJuLNcWfk6_Xlc_merj_eVsvFOnVc0D7VrhDOVlxbjSWUhaRC5Dlyx10lQQAUVmdFnqkCNDpkRVlqnmltpbUgkPMZuT94fexrE13do9s437boesMYk1ypbKQeDlQX_PeAsTe7OjpsGtuiH6KhIgdNuczYv_CEbv0Q2vEHwyjTWjLB9sLHA-WCjzFgZbpQ72z4MRTMvr6h5lh_ZO-OxqHYYXki_3LzXyzefNE</addsrcrecordid><sourcetype>Open Access Repository</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2127752428</pqid></control><display><type>article</type><title>Is there a third order phase transition for supercritical fluids?</title><source>AIP Journals Complete</source><source>Alma/SFX Local Collection</source><creator>Zhu, Jinglong ; Zhang, Pingwen ; Wang, Han ; Site, Luigi Delle</creator><creatorcontrib>Zhu, Jinglong ; Zhang, Pingwen ; Wang, Han ; Site, Luigi Delle</creatorcontrib><description>We prove that according to Molecular Dynamics (MD) simulations of liquid mixtures of Lennard-Jones (L-J) particles, there is no third order phase transition in the supercritical regime beyond Andrew's critical point. This result is in open contrast with recent theoretical studies and experiments which instead suggest not only its existence but also its universality regarding the chemical nature of the fluid. We argue that our results are solid enough to go beyond the limitations of MD and the generic character of L-J models, thus suggesting a rather smooth liquid-vapor thermodynamic behavior of fluids in supercritical regime.</description><identifier>ISSN: 0021-9606</identifier><identifier>EISSN: 1089-7690</identifier><identifier>DOI: 10.1063/1.4855656</identifier><identifier>PMID: 24410228</identifier><language>eng</language><publisher>United States: American Institute of Physics</publisher><subject>Computational fluid dynamics ; Computer simulation ; Critical point ; INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ; LIQUIDS ; MIXTURES ; Molecular dynamics ; MOLECULAR DYNAMICS METHOD ; Organic chemistry ; PARTICLES ; PHASE TRANSFORMATIONS ; Phase transitions ; Physics ; SIMULATION ; SOLIDS ; Supercritical fluids ; Thermodynamic properties ; VAPORS</subject><ispartof>The Journal of chemical physics, 2014-01, Vol.140 (1), p.014502-014502</ispartof><rights>2014 AIP Publishing LLC.</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c341t-7cb4caf37a7ed0db514499e3c3cf50400ba78b986b07ece2bdd73877a5aa04e33</citedby><cites>FETCH-LOGICAL-c341t-7cb4caf37a7ed0db514499e3c3cf50400ba78b986b07ece2bdd73877a5aa04e33</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,314,780,784,885,27924,27925</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/24410228$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink><backlink>$$Uhttps://www.osti.gov/biblio/22253668$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>Zhu, Jinglong</creatorcontrib><creatorcontrib>Zhang, Pingwen</creatorcontrib><creatorcontrib>Wang, Han</creatorcontrib><creatorcontrib>Site, Luigi Delle</creatorcontrib><title>Is there a third order phase transition for supercritical fluids?</title><title>The Journal of chemical physics</title><addtitle>J Chem Phys</addtitle><description>We prove that according to Molecular Dynamics (MD) simulations of liquid mixtures of Lennard-Jones (L-J) particles, there is no third order phase transition in the supercritical regime beyond Andrew's critical point. This result is in open contrast with recent theoretical studies and experiments which instead suggest not only its existence but also its universality regarding the chemical nature of the fluid. We argue that our results are solid enough to go beyond the limitations of MD and the generic character of L-J models, thus suggesting a rather smooth liquid-vapor thermodynamic behavior of fluids in supercritical regime.</description><subject>Computational fluid dynamics</subject><subject>Computer simulation</subject><subject>Critical point</subject><subject>INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY</subject><subject>LIQUIDS</subject><subject>MIXTURES</subject><subject>Molecular dynamics</subject><subject>MOLECULAR DYNAMICS METHOD</subject><subject>Organic chemistry</subject><subject>PARTICLES</subject><subject>PHASE TRANSFORMATIONS</subject><subject>Phase transitions</subject><subject>Physics</subject><subject>SIMULATION</subject><subject>SOLIDS</subject><subject>Supercritical fluids</subject><subject>Thermodynamic properties</subject><subject>VAPORS</subject><issn>0021-9606</issn><issn>1089-7690</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2014</creationdate><recordtype>article</recordtype><recordid>eNpFkEtLw0AURgdRbK0u_AMScKOL1DvvZCWl-CgU3Oh6mExuaEqaiTPJwn9vSmtdfXA5HLiHkFsKcwqKP9G5yKRUUp2RKYUsT7XK4ZxMARhNcwVqQq5i3AIA1UxckgkTggJj2ZQsVjHpNxgwsePWoUx8KDEk3cZGTPpg21j3tW-TyockDh0GF8aDs01SNUNdxudrclHZJuLNcWfk6_Xlc_merj_eVsvFOnVc0D7VrhDOVlxbjSWUhaRC5Dlyx10lQQAUVmdFnqkCNDpkRVlqnmltpbUgkPMZuT94fexrE13do9s437boesMYk1ypbKQeDlQX_PeAsTe7OjpsGtuiH6KhIgdNuczYv_CEbv0Q2vEHwyjTWjLB9sLHA-WCjzFgZbpQ72z4MRTMvr6h5lh_ZO-OxqHYYXki_3LzXyzefNE</recordid><startdate>20140107</startdate><enddate>20140107</enddate><creator>Zhu, Jinglong</creator><creator>Zhang, Pingwen</creator><creator>Wang, Han</creator><creator>Site, Luigi Delle</creator><general>American Institute of Physics</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope><scope>7X8</scope><scope>OTOTI</scope></search><sort><creationdate>20140107</creationdate><title>Is there a third order phase transition for supercritical fluids?</title><author>Zhu, Jinglong ; Zhang, Pingwen ; Wang, Han ; Site, Luigi Delle</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c341t-7cb4caf37a7ed0db514499e3c3cf50400ba78b986b07ece2bdd73877a5aa04e33</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2014</creationdate><topic>Computational fluid dynamics</topic><topic>Computer simulation</topic><topic>Critical point</topic><topic>INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY</topic><topic>LIQUIDS</topic><topic>MIXTURES</topic><topic>Molecular dynamics</topic><topic>MOLECULAR DYNAMICS METHOD</topic><topic>Organic chemistry</topic><topic>PARTICLES</topic><topic>PHASE TRANSFORMATIONS</topic><topic>Phase transitions</topic><topic>Physics</topic><topic>SIMULATION</topic><topic>SOLIDS</topic><topic>Supercritical fluids</topic><topic>Thermodynamic properties</topic><topic>VAPORS</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Zhu, Jinglong</creatorcontrib><creatorcontrib>Zhang, Pingwen</creatorcontrib><creatorcontrib>Wang, Han</creatorcontrib><creatorcontrib>Site, Luigi Delle</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><collection>OSTI.GOV</collection><jtitle>The Journal of chemical physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Zhu, Jinglong</au><au>Zhang, Pingwen</au><au>Wang, Han</au><au>Site, Luigi Delle</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Is there a third order phase transition for supercritical fluids?</atitle><jtitle>The Journal of chemical physics</jtitle><addtitle>J Chem Phys</addtitle><date>2014-01-07</date><risdate>2014</risdate><volume>140</volume><issue>1</issue><spage>014502</spage><epage>014502</epage><pages>014502-014502</pages><issn>0021-9606</issn><eissn>1089-7690</eissn><abstract>We prove that according to Molecular Dynamics (MD) simulations of liquid mixtures of Lennard-Jones (L-J) particles, there is no third order phase transition in the supercritical regime beyond Andrew's critical point. This result is in open contrast with recent theoretical studies and experiments which instead suggest not only its existence but also its universality regarding the chemical nature of the fluid. We argue that our results are solid enough to go beyond the limitations of MD and the generic character of L-J models, thus suggesting a rather smooth liquid-vapor thermodynamic behavior of fluids in supercritical regime.</abstract><cop>United States</cop><pub>American Institute of Physics</pub><pmid>24410228</pmid><doi>10.1063/1.4855656</doi><tpages>1</tpages><oa>free_for_read</oa></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0021-9606 |
| ispartof | The Journal of chemical physics, 2014-01, Vol.140 (1), p.014502-014502 |
| issn | 0021-9606 1089-7690 |
| language | eng |
| recordid | cdi_osti_scitechconnect_22253668 |
| source | AIP Journals Complete; Alma/SFX Local Collection |
| subjects | Computational fluid dynamics Computer simulation Critical point INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY LIQUIDS MIXTURES Molecular dynamics MOLECULAR DYNAMICS METHOD Organic chemistry PARTICLES PHASE TRANSFORMATIONS Phase transitions Physics SIMULATION SOLIDS Supercritical fluids Thermodynamic properties VAPORS |
| title | Is there a third order phase transition for supercritical fluids? |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-22T10%3A34%3A21IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_osti_&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Is%20there%20a%20third%20order%20phase%20transition%20for%20supercritical%20fluids?&rft.jtitle=The%20Journal%20of%20chemical%20physics&rft.au=Zhu,%20Jinglong&rft.date=2014-01-07&rft.volume=140&rft.issue=1&rft.spage=014502&rft.epage=014502&rft.pages=014502-014502&rft.issn=0021-9606&rft.eissn=1089-7690&rft_id=info:doi/10.1063/1.4855656&rft_dat=%3Cproquest_osti_%3E1490713582%3C/proquest_osti_%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=2127752428&rft_id=info:pmid/24410228&rfr_iscdi=true |