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Prediction of surface tension of pure hydrocarbons using Esmaeilzadeh-Roshanfekr equation of state and group contribution method

机译:Esmaeilzadeh-Roshanfekr状态方程和基团贡献法预测纯烃的表面张力

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In this paper, a new model with the help of Esmaeilzadeh-Roshanfekr equation of state (ER EoS) and group contribution method was proposed to obtain the surface tension of various hydrocarbons in different temperatures and ambient pressure. To this end, 7 groups (-CH3, >CH2, >CH-, >C<, =CH-, =CH2, and=C<) were defined that appear in the structure of hydrocarbons. 350 experimental data points of 40 hydrocarbons were also employed that 281 data points of 32 hydrocarbons were used to obtain the values of group increments and the remaining data points (69 experimental data points of 8 hydrocarbons) were used to validate the group contribution method used in the proposed model. Additionally, the accuracy of the proposed model was compared with the other equations of state such as Soave-Redlich-Kwong (SRK EoS), Peng-Robinson (PR EoS), and Van der Waals (VW EoS) that the results of the proposed model showed fewer error and better accuracy. The total average absolute relative deviations (TAARDs) of the proposed model and the other models with the help of SRK EoS, PR EoS, and VW EoS are found to be 6.54%, 12.15%, 12.57%, and 1530%, respectively. (C) 2016 Elsevier B.V. All rights reserved.
机译:本文通过Esmaeilzadeh-Roshanfekr状态方程(ER EoS)和基团贡献法,提出了一个新模型,用于获得不同温度和环境压力下各种烃的表面张力。为此,定义了在烃的结构中出现的7个基团(-CH 3,> CH 2,> CH-,> C <,= CH-,= CH2和= C <)。还使用了40个碳氢化合物的350个实验数据点,其中32个碳氢化合物的281个数据点用于获取组增量的值,其余数据点(8个碳氢化合物的69个实验数据点)用于验证用于建议的模型。此外,将提出的模型的准确性与其他状态方程(例如,Soave-Redlich-Kwong(SRK EoS),Peng-Robinson(PR EoS)和Van der Waals(VW EoS))进行了比较。模型显示出更少的误差和更好的准确性。在SRK EoS,PR EoS和VW EoS的帮助下,建议模型和其他模型的总平均绝对相对偏差(TAARD)分别为6.54%,12.15%,12.57%和1530%。 (C)2016 Elsevier B.V.保留所有权利。

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