On the apparent molar volume of methanol in water-methanol mixtures. Composition and temperature effects from molecular dynamics study
We explore the effects of composition and temperature on the apparent molar volumes of species of water-methanol mixtures. Isothermal-isobaric molecular dynamics simulations are used with this purpose. Several combinations of models for water and for methanol are explored. Validity of predictions co...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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Institute for Condensed Matter Physics
2020-09-01
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| Series: | Condensed Matter Physics |
| Subjects: | |
| Online Access: | https://doi.org/10.5488/CMP.23.34601 |
| _version_ | 1819119041033273344 |
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| author | M. Cruz Sanchez M. Aguilar O. Pizio |
| author_facet | M. Cruz Sanchez M. Aguilar O. Pizio |
| author_sort | M. Cruz Sanchez |
| collection | DOAJ |
| description | We explore the effects of composition and temperature on the apparent molar volumes of species of water-methanol mixtures. Isothermal-isobaric molecular dynamics simulations are used with this purpose. Several combinations of models for water and for methanol are explored. Validity of predictions concerned with a puzzling minimum of apparent molar volume of methanol in water-rich solutions is tested against experimental results. |
| first_indexed | 2024-12-22T05:58:27Z |
| format | Article |
| id | doaj.art-f2cef0decabe4e66a5e14cdb135efc32 |
| institution | Directory Open Access Journal |
| issn | 1607-324X 2224-9079 |
| language | English |
| last_indexed | 2024-12-22T05:58:27Z |
| publishDate | 2020-09-01 |
| publisher | Institute for Condensed Matter Physics |
| record_format | Article |
| series | Condensed Matter Physics |
| spelling | doaj.art-f2cef0decabe4e66a5e14cdb135efc322022-12-21T18:36:37ZengInstitute for Condensed Matter PhysicsCondensed Matter Physics1607-324X2224-90792020-09-012333460110.5488/CMP.23.34601On the apparent molar volume of methanol in water-methanol mixtures. Composition and temperature effects from molecular dynamics studyM. Cruz SanchezM. AguilarO. PizioWe explore the effects of composition and temperature on the apparent molar volumes of species of water-methanol mixtures. Isothermal-isobaric molecular dynamics simulations are used with this purpose. Several combinations of models for water and for methanol are explored. Validity of predictions concerned with a puzzling minimum of apparent molar volume of methanol in water-rich solutions is tested against experimental results.https://doi.org/10.5488/CMP.23.34601water-methanol mixturesexcess mixing volumeapparent molar volumemolecular dynamics simulations |
| spellingShingle | M. Cruz Sanchez M. Aguilar O. Pizio On the apparent molar volume of methanol in water-methanol mixtures. Composition and temperature effects from molecular dynamics study Condensed Matter Physics water-methanol mixtures excess mixing volume apparent molar volume molecular dynamics simulations |
| title | On the apparent molar volume of methanol in water-methanol mixtures. Composition and temperature effects from molecular dynamics study |
| title_full | On the apparent molar volume of methanol in water-methanol mixtures. Composition and temperature effects from molecular dynamics study |
| title_fullStr | On the apparent molar volume of methanol in water-methanol mixtures. Composition and temperature effects from molecular dynamics study |
| title_full_unstemmed | On the apparent molar volume of methanol in water-methanol mixtures. Composition and temperature effects from molecular dynamics study |
| title_short | On the apparent molar volume of methanol in water-methanol mixtures. Composition and temperature effects from molecular dynamics study |
| title_sort | on the apparent molar volume of methanol in water methanol mixtures composition and temperature effects from molecular dynamics study |
| topic | water-methanol mixtures excess mixing volume apparent molar volume molecular dynamics simulations |
| url | https://doi.org/10.5488/CMP.23.34601 |
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