Simultaneous Determination of Thermal and Mutual Diffusivity of Binary Mixtures of n‑Octacosane with Carbon Monoxide, Hydrogen, and Water by Dynamic Light Scattering
It is demonstrated that thermal and mutual diffusivities of binary mixtures of n-octacosane (n-C28H58) with carbon monoxide (CO), hydrogen (H2), and water (H2O) are simultaneously accessible by dynamic light scattering (DLS). As the light-scattering signals originating from thermal and concentration...
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Veröffentlicht in: | The journal of physical chemistry. B 2014-04, Vol.118 (14), p.3981-3990 |
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creator | Heller, Andreas Koller, Thomas M Rausch, Michael H Fleys, Matthieu S. H Bos, A. N. René van der Laan, Gerard P Makrodimitri, Zoi A Economou, Ioannis G Fröba, Andreas P |
description | It is demonstrated that thermal and mutual diffusivities of binary mixtures of n-octacosane (n-C28H58) with carbon monoxide (CO), hydrogen (H2), and water (H2O) are simultaneously accessible by dynamic light scattering (DLS). As the light-scattering signals originating from thermal and concentration fluctuations appear in similar time scales, different data evaluation strategies were tested to achieve minimum uncertainties in the resulting transport properties. To test the agreement of the respective theoretical model with the DLS signals in the regression, an improved multifit procedure is introduced. With the selected data evaluation strategy, uncertainties of 4 to 15% and 4 to 30% in the thermal and mutual diffusivities, respectively, could be obtained for the binary mixtures. The mutual diffusivities for the mixtures measured at temperatures ranging from 398 to 523 K and pressures of 5 to 30 bar at saturation conditions are in good agreement with molecular dynamics simulations and data from the literature. |
doi_str_mv | 10.1021/jp500300y |
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With the selected data evaluation strategy, uncertainties of 4 to 15% and 4 to 30% in the thermal and mutual diffusivities, respectively, could be obtained for the binary mixtures. The mutual diffusivities for the mixtures measured at temperatures ranging from 398 to 523 K and pressures of 5 to 30 bar at saturation conditions are in good agreement with molecular dynamics simulations and data from the literature.</description><identifier>ISSN: 1520-6106</identifier><identifier>EISSN: 1520-5207</identifier><identifier>DOI: 10.1021/jp500300y</identifier><identifier>PMID: 24650031</identifier><language>eng</language><publisher>United States: American Chemical Society</publisher><subject>Binary mixtures ; Carbon monoxide ; Diffusivity ; Dynamics ; Light scattering ; Molecular dynamics ; Strategy ; Uncertainty</subject><ispartof>The journal of physical chemistry. 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As the light-scattering signals originating from thermal and concentration fluctuations appear in similar time scales, different data evaluation strategies were tested to achieve minimum uncertainties in the resulting transport properties. To test the agreement of the respective theoretical model with the DLS signals in the regression, an improved multifit procedure is introduced. With the selected data evaluation strategy, uncertainties of 4 to 15% and 4 to 30% in the thermal and mutual diffusivities, respectively, could be obtained for the binary mixtures. The mutual diffusivities for the mixtures measured at temperatures ranging from 398 to 523 K and pressures of 5 to 30 bar at saturation conditions are in good agreement with molecular dynamics simulations and data from the literature.</description><subject>Binary mixtures</subject><subject>Carbon monoxide</subject><subject>Diffusivity</subject><subject>Dynamics</subject><subject>Light scattering</subject><subject>Molecular dynamics</subject><subject>Strategy</subject><subject>Uncertainty</subject><issn>1520-6106</issn><issn>1520-5207</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2014</creationdate><recordtype>article</recordtype><recordid>eNqFkUuOEzEQhi0EYh6w4ALIGyRGmoDttt2dJSTAICWaxQxi2XLc5cRRtx38gOkdV-AU3IuT4JAwKyQWlsv2V5-lvxB6RskrShh9vd0JQipCxgfolApGJmXVD4-1pESeoLMYt4QwwRr5GJ0wLvcd9BT9vLFD7pNy4HPEc0gQButUst5hb_DtppxVj5Xr8DKnXMq5NSZH-9WmcU-8LXQY8dLepRwg7q_cr-8_rnVS2sfixd9s2uCZCquiXHrn72wHl_hq7IJfg7v84_6sysd4NeL56NRgNV7Y9SbhG61SebBu_QQ9MqqP8PS4n6NP79_dzq4mi-sPH2dvFhNV8SZNVnVdUeCKU03FVBtCuZIADRCmKgZAGdTTjtMpr4QxHSiQDSvJdU3NO2JEdY5eHry74L9kiKkdbNTQ94eEWlpLRoSQRP4fFVRILnhFCnpxQHXwMQYw7S7YoeTWUtLuR9jej7Cwz4_avBqguyf_zqwALw6A0rHd-hxcCeQfot8JAKVj</recordid><startdate>20140410</startdate><enddate>20140410</enddate><creator>Heller, Andreas</creator><creator>Koller, Thomas M</creator><creator>Rausch, Michael H</creator><creator>Fleys, Matthieu S. 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René</creatorcontrib><creatorcontrib>van der Laan, Gerard P</creatorcontrib><creatorcontrib>Makrodimitri, Zoi A</creatorcontrib><creatorcontrib>Economou, Ioannis G</creatorcontrib><creatorcontrib>Fröba, Andreas P</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</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>The journal of physical chemistry. B</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Heller, Andreas</au><au>Koller, Thomas M</au><au>Rausch, Michael H</au><au>Fleys, Matthieu S. H</au><au>Bos, A. N. 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As the light-scattering signals originating from thermal and concentration fluctuations appear in similar time scales, different data evaluation strategies were tested to achieve minimum uncertainties in the resulting transport properties. To test the agreement of the respective theoretical model with the DLS signals in the regression, an improved multifit procedure is introduced. With the selected data evaluation strategy, uncertainties of 4 to 15% and 4 to 30% in the thermal and mutual diffusivities, respectively, could be obtained for the binary mixtures. The mutual diffusivities for the mixtures measured at temperatures ranging from 398 to 523 K and pressures of 5 to 30 bar at saturation conditions are in good agreement with molecular dynamics simulations and data from the literature.</abstract><cop>United States</cop><pub>American Chemical Society</pub><pmid>24650031</pmid><doi>10.1021/jp500300y</doi><tpages>10</tpages></addata></record> |
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subjects | Binary mixtures Carbon monoxide Diffusivity Dynamics Light scattering Molecular dynamics Strategy Uncertainty |
title | Simultaneous Determination of Thermal and Mutual Diffusivity of Binary Mixtures of n‑Octacosane with Carbon Monoxide, Hydrogen, and Water by Dynamic Light Scattering |
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