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| Content Provider | Springer Nature Link |
|---|---|
| Author | Mustain, Asalil Suharti, Profiyanti Hermien Hartanto, Dhoni Khoiroh, Ianatul |
| Copyright Year | 2017 |
| Abstract | Isobaric vapor-liquid equilibrium (VLE) data for binary mixtures of 2-propanone+2-butanol have been measured at 101.325 kPa. The measurements were in a modified recirculating type of Othmer equilibrium still. All the data passed the thermodynamics consistency test and no azeotropic behavior was exhibited. The experimental VLE data were correlated with the Wilson, non-random two-liquid (NRTL) and universal quasi-chemical (UNIQUAC) activity coefficient models. The correlation results showed that the experimental data were well correlated with those models. The experimental data also showed slight deviations from the predicted results using UNIFAC and modified UNIFAC (Dortmund) models. To gain more insight into the nature of interactions between 2-propanone molecule and alcohol, we analyzed the hydrogen-bonds, the electrostatic (Coulomb) interactions, and the van der Waals (Lennard- Jones) interaction energies extracted from MD simulations. In addition, the structural property of liquid phase was characterized through radial distribution function (RDF) to establish favorable interactions between 2-propanone and 2-butanol in the mixture. |
| Starting Page | 2011 |
| Ending Page | 2018 |
| Page Count | 8 |
| File Format | |
| ISSN | 02561115 |
| Journal | Korean Journal of Chemical Engineering |
| Volume Number | 34 |
| Issue Number | 7 |
| e-ISSN | 19757220 |
| Language | English |
| Publisher | Springer US |
| Publisher Date | 2017-05-19 |
| Publisher Place | New York |
| Access Restriction | One Nation One Subscription (ONOS) |
| Subject Keyword | Vapor-liquid Equilibrium Molecular Dynamic Ebulliometer 2-Propanone 2-Butanol Industrial Chemistry/Chemical Engineering Catalysis Materials Science Biotechnology |
| Content Type | Text |
| Resource Type | Article |
| Subject | Chemistry Chemical Engineering |
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