کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
4768067 | 1424523 | 2017 | 17 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Application of the modified Group-Contribution Perturbed-Chain SAFT to branched alkanes, n-olefins and their mixtures
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
مهندسی شیمی (عمومی)
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چکیده انگلیسی
A new empirical approach has been developed to estimate parameters of the modified Group Contribution Perturbed-Chain statistical associating fluid theory (mg-SAFT) for alkane and alkene isomers. A key advantage of this approach is that the molecular parameter of isomer components is distinguished simply through the chain length parameter. New group parameters for 1-alkenes, cis- and trans-alkenes, methyl-alkanes and dimethyl-alkanes are determined. Several pure compound properties such as the vapor pressure, liquid density, enthalpy of vaporization, heat capacities are predicted. It has been found that the use of two adjustable parameters in determining the chain length parameters of different isomer groups in the fitting procedure for alkane or alkene isomers is enough to provide a good description of PVT and some derivative properties. Test and comparison with other existing SAFT-based group-contribution approaches were performed in calculating the vapor pressure and saturated liquid density of heavy compounds. The results show that, mg-SAFT describes the fluid phase behavior for light compounds with a comparable accuracy compared to other group contribution approaches and much better for heavier compounds (prediction results).
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Fluid Phase Equilibria - Volume 434, 25 February 2017, Pages 176-192
Journal: Fluid Phase Equilibria - Volume 434, 25 February 2017, Pages 176-192
نویسندگان
Duong NguyenHuynh, Dong NguyenHuynh,