کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
202291 | 460597 | 2011 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Volumetric behavior and solution microstructure of methanol–water mixture in sub- and supercritical state via density measurement and MD simulation
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
مهندسی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Densities of methanol–water mixtures at 350 °C and 20–35 MPa were measured with a laser-doppler vibrating densimeter. Excess molar volumes of methanol–water mixtures changed from negative to positive as methanol composition increased from Xm = 0 to Xm = 1. The composition dependence of the aqueous solution at high temperature and pressure was investigated from the microscopic viewpoint using molecular dynamics calculations. Characteristic changes, which imply that intermolecular interactions change from relatively attractive to relatively repulsive, were observed in the trends of the radial distribution function, internal energy and self-diffusion coefficients are corresponding to volumetric behavior.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Fluid Phase Equilibria - Volume 302, Issues 1–2, 15 March 2011, Pages 55–59
Journal: Fluid Phase Equilibria - Volume 302, Issues 1–2, 15 March 2011, Pages 55–59
نویسندگان
Takumi Ono, Shunsuke Kobayashi, Taka-aki Hoshina, Yoshiyuki Sato, Hiroshi Inomata,