| Molecular Dynamics Simulation of Mixture of Ionic Liquid 1-Ethyl-3-Methyl Imidazolium Methyl Sulfate and Wate |
| کد مقاله : 1104-PHYCHEM23 (R1) |
| نویسندگان |
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عاطفه مهربان *1، فرخنده مظفری2 1علوم پایه، دانشگاه خلیج فارس، بوشهر 2شیمی فیزیک-علوم پایه-خلیج فارس-بوشهر |
| چکیده مقاله |
| Molecular dynamics simulations are applied to study 1-ethyl-3-methylimidazolium methylsulfate ionic liquid/water mixture. The calculated density, excess molar volume, water clusters size, radial distribution function, and hydrogen bonding are in good agreement with the literature. The number of hydrogen bonds of water-water increased with increasing water mole fraction in mixtures that agree with larger water clusters in high water mole fraction. |
| کلیدواژه ها |
| Hydrogen bonding; Ionic liquid; Modeling and Simulatio |
| وضعیت: پذیرفته شده برای ارسال فایل های ارائه پوستر |