کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7058843 | 1458078 | 2013 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Self diffusion and heat capacity of n-alkanes based phase change materials: A molecular dynamics study
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
جریان سیال و فرایندهای انتقال
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Self diffusion and heat capacity of n-alkanes based phase change materials: A molecular dynamics study Self diffusion and heat capacity of n-alkanes based phase change materials: A molecular dynamics study](/preview/png/7058843.png)
چکیده انگلیسی
The straight chain n-alkanes based paraffin phase change materials (PCM) have been widely investigated by experimental and numerical methods. This paper presents a study from molecular point of view to discuss the self diffusion and heat capacity of n-alkanes and their binary mixtures based PCM with molecular dynamics (MD) simulation method. Four PCM systems, n-nonadecane, n-tetracosane, n-nonadecane and n-tetracosane (1/1) and n-nonadecane and n-tetracosane (3/1), were constructed with amorphous structure and periodic boundary conditions. The results showed that the phase transition behaviors of the PCM could be determined according to the variation of simulated self diffusion coefficient and isobaric heat capacity. Comparisons of isobaric heat capacity between the MD and experimental results showed reasonable agreement below 353Â K. The strength and width of radial distribution functions indicated the mobility of the alkane chains that is helpful for further understanding the diffusion property.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: International Journal of Heat and Mass Transfer - Volume 64, September 2013, Pages 581-589
Journal: International Journal of Heat and Mass Transfer - Volume 64, September 2013, Pages 581-589
نویسندگان
Zhonghao Rao, Shuangfeng Wang, Feifei Peng,