Fundamental equation of state correlation for hexamethyldisiloxane based on experimental and molecular simulation data
An empirical fundamental equation of state correlation in terms of the Helmholtz energy is presented for hexamethyldisiloxane. The relatively small amount of thermodynamic data that is available in the literature for this substances is considerably extended by speed of sound measurements and numeric...
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| Veröffentlicht in: | Fluid phase equilibria 2016-06, Vol.418, p.133-151 |
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| container_title | Fluid phase equilibria |
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| creator | Thol, M. Dubberke, F.H. Rutkai, G. Windmann, T. Köster, A. Span, R. Vrabec, J. |
| description | An empirical fundamental equation of state correlation in terms of the Helmholtz energy is presented for hexamethyldisiloxane. The relatively small amount of thermodynamic data that is available in the literature for this substances is considerably extended by speed of sound measurements and numerical results for Helmholtz energy derivatives from molecular modeling and simulation. The speed of sound apparatus employed in this work is based on the pulse-echo technique and operates up to 150 MPa in the temperature range between 250 K and 600 K. The range of validity of the equation of state, based on laboratory data from literature and speed of sound data of this work, is from 270 K to 580 K and up to 130 MPa. Molecular simulation data are applied to extend the range of validity up to 1200 K and 600 MPa.
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| doi_str_mv | 10.1016/j.fluid.2015.09.047 |
| format | Article |
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[Display omitted]</description><subject>Computational fluid dynamics</subject><subject>Computer simulation</subject><subject>Correlation</subject><subject>Derivatives</subject><subject>Equations of state</subject><subject>Fundamental equation of state</subject><subject>Hexamethyldisiloxane</subject><subject>Mathematical models</subject><subject>Molecular modeling and simulation</subject><subject>Sound</subject><subject>Thermodynamic properties</subject><issn>0378-3812</issn><issn>1879-0224</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2016</creationdate><recordtype>article</recordtype><recordid>eNp9kE-LFDEQxYMoOK5-Ai85eum2kvSf5OBBFleFBS-755BOKmyGTGc2SS-z396MM2ehoIri9x5Vj5DPDHoGbPq6733cgus5sLEH1cMwvyE7JmfVAefDW7IDMctOSMbfkw-l7AEaOfEdebnbVmcOuFYTKT5vpoa00uRpqaYitSlnjJelT5k-4anB9ek1ulBCTCezIl1MQUcbgacj5nA1M6ujhxTRbtFkWsJhu_o4U81H8s6bWPDTtd-Qx7sfD7e_uvs_P3_ffr_vrJhF7SST1g3Ap2n0g1cLQ36eF9lKGKXU6CejuFkkB4_Oq2ExflQwSBiHSaC4IV8uvsecnjcsVR9CsRhjuzttRTPJJpgFSNZQcUFtTqVk9PrYfjH5VTPQ55T1Xv9LWZ9T1qB0S7mpvl1U2L54CZh1sQFXiy5ktFW7FP6r_wvYr4mx</recordid><startdate>20160625</startdate><enddate>20160625</enddate><creator>Thol, M.</creator><creator>Dubberke, F.H.</creator><creator>Rutkai, G.</creator><creator>Windmann, T.</creator><creator>Köster, A.</creator><creator>Span, R.</creator><creator>Vrabec, J.</creator><general>Elsevier B.V</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope><orcidid>https://orcid.org/0000-0002-7947-4051</orcidid></search><sort><creationdate>20160625</creationdate><title>Fundamental equation of state correlation for hexamethyldisiloxane based on experimental and molecular simulation data</title><author>Thol, M. ; Dubberke, F.H. ; Rutkai, G. ; Windmann, T. ; Köster, A. ; Span, R. ; Vrabec, J.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c373t-818cd402665f4f9b1e22665b85b83a9995f6a92ab820fedf94baf5904805463e3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2016</creationdate><topic>Computational fluid dynamics</topic><topic>Computer simulation</topic><topic>Correlation</topic><topic>Derivatives</topic><topic>Equations of state</topic><topic>Fundamental equation of state</topic><topic>Hexamethyldisiloxane</topic><topic>Mathematical models</topic><topic>Molecular modeling and simulation</topic><topic>Sound</topic><topic>Thermodynamic properties</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Thol, M.</creatorcontrib><creatorcontrib>Dubberke, F.H.</creatorcontrib><creatorcontrib>Rutkai, G.</creatorcontrib><creatorcontrib>Windmann, T.</creatorcontrib><creatorcontrib>Köster, A.</creatorcontrib><creatorcontrib>Span, R.</creatorcontrib><creatorcontrib>Vrabec, J.</creatorcontrib><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Fluid phase equilibria</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Thol, M.</au><au>Dubberke, F.H.</au><au>Rutkai, G.</au><au>Windmann, T.</au><au>Köster, A.</au><au>Span, R.</au><au>Vrabec, J.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Fundamental equation of state correlation for hexamethyldisiloxane based on experimental and molecular simulation data</atitle><jtitle>Fluid phase equilibria</jtitle><date>2016-06-25</date><risdate>2016</risdate><volume>418</volume><spage>133</spage><epage>151</epage><pages>133-151</pages><issn>0378-3812</issn><eissn>1879-0224</eissn><abstract>An empirical fundamental equation of state correlation in terms of the Helmholtz energy is presented for hexamethyldisiloxane. The relatively small amount of thermodynamic data that is available in the literature for this substances is considerably extended by speed of sound measurements and numerical results for Helmholtz energy derivatives from molecular modeling and simulation. The speed of sound apparatus employed in this work is based on the pulse-echo technique and operates up to 150 MPa in the temperature range between 250 K and 600 K. The range of validity of the equation of state, based on laboratory data from literature and speed of sound data of this work, is from 270 K to 580 K and up to 130 MPa. Molecular simulation data are applied to extend the range of validity up to 1200 K and 600 MPa.
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| subjects | Computational fluid dynamics Computer simulation Correlation Derivatives Equations of state Fundamental equation of state Hexamethyldisiloxane Mathematical models Molecular modeling and simulation Sound Thermodynamic properties |
| title | Fundamental equation of state correlation for hexamethyldisiloxane based on experimental and molecular simulation data |
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