کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5412672 | 1393442 | 2010 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A molecular simulation study of shear viscosity and thermal conductivity of liquid carbon disulphide
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: A molecular simulation study of shear viscosity and thermal conductivity of liquid carbon disulphide A molecular simulation study of shear viscosity and thermal conductivity of liquid carbon disulphide](/preview/png/5412672.png)
چکیده انگلیسی
We have calculated the shear viscosity and the thermal conductivity of liquid carbon disulphide at temperature TÂ =Â 193Â K and density ÏÂ =Â 1420Â kg/m3 near the liquid-vapour curve and temperature TÂ =Â 309Â K and density ÏÂ =Â 1427Â kg/m3 using a three-centre model due to Tildesley and Madden. Both transport coefficients were calculated by equilibrium molecular dynamics using the Green-Kubo relations and for the 193Â K system the shear rate dependent viscosity and the first normal stress coefficient were also calculated by non-equilibrium molecular dynamics methods. The shear rate dependence of the viscosity was well described by both the Cross and Carreau models, which are commonly used rheological constitutive equations. The values of the zero shear rate viscosity obtained from both equilibrium and non-equilibrium computations agreed to within statistical uncertainty. Both the viscosity and thermal conductivity values were in good agreement with a correlation of experimental data based on the rough-hard-sphere model.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Liquids - Volume 154, Issue 1, 20 July 2010, Pages 6-13
Journal: Journal of Molecular Liquids - Volume 154, Issue 1, 20 July 2010, Pages 6-13
نویسندگان
Pavithra Prathiraja, Peter J. Daivis, Ian K. Snook,