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

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

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Prediction of surface tension of pure hydrocarbons using Esmaeilzadeh-Roshanfekr equation of state and group contribution methodReviewed by رضا فرضی on Nov 6Rating: 5.0Prediction of surface tension of pure hydrocarbons using Esmaeilzadeh-Roshanfekr equation of state and group contribution methodPrediction of surface tension of pure hydrocarbons using Esmaeilzadeh-Roshanfekr equation of state and group contribution method
Prediction of surface tension of pure hydrocarbons using Esmaeilzadeh-Roshanfekr equation of state and group contribution method

 

Reza Farzi, Feridun Esmaeilzadeh[1]

Chemical and Petrochemical Engineering Department, Oil and Gas Thermodynamics Research Laboratory, Shiraz University, Shiraz, Iran

 

Abstract

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 15.30%, respectively.

Keywords: Surface Tension, Hydrocarbons, Esmaeilzadeh-Roshanfekr Equation of State, Group Contribution Method, Differential Evolution
  1. Introduction

Surface tension is a property of liquids causing the outer layer to act as an elastic sheet. Due to surface tension, two liquid surfaces are kidnaping each other such as two drops of water that attract each other and form a larger drop. Surface tension is the quantity with dimension of force per unit length or energy per unit surface. The surface tension can be also considered as the amount of work was necessary to create a single new interface [1, 2]. At interfaces of liquid and vapor phases, the surface tension results from the greater attraction of molecules in liquid phase to each other (due to cohesion) than to the molecules in the vapor phase (due to adhesion) [3].

The surface tension and density of a liquid are important thermodynamic properties in phenomena such as liquid-liquid extraction, gas absorption, distillation and crystallization, also have been widely used to characterize surface of liquid in chemistry and chemical engineering areas such as the manufacturing of plastics, coatings, textiles and films. Values of gas–liquid interfacial tension are being used in studying of liquid–liquid and liquid–solid interfaces [4-6]. The surface tension and density of liquids are related [7]. In various studies, the surface tension and density of liquids were modeled by a variety of authors [8-11].

 Frey at al. [12] used density volume translation function and Soave-Redlich-Kwong equation of state for mixtures to estimate the properties of alkanes and 18 different fluids. Abudour et al. [13] presented a new volume translation function for the Peng-Robinson equation of state and used a large database containing 12000 data points of 65 pure fluids. Additionally, they used 20 fluids to validate the model. Farzi and Esmaeilzadeh [14] proposed a new model for the prediction of densities of pure ionic liquids. They used Esmaeilzadeh-Roshanfekr equation of state and group contribution method to predict densities of 294 pure ionic liquids and reported that the error of the proposed model is lower than the other group contribution-equations of state (group contribution Patel-Teja equation of state, group contribution Peng-Robinson equation of state, and group contribution Van der Waals equation of state).

Zhu et al. [15] analyzed the factors affecting on surface tension using gradient theory and equation of state and reported that density is an important factor in low pressures. Gharagheizi et al. [16] proposed two models (a four-parameter and five-parameter models) using gene expression programming strategy for the prediction of surface tension of different compounds. Felipe and Verduzco [17] were used group contribution method and corresponding state to predict the surface tension of biodiesel and methyl ester. Di Nicola et al.[18] presented a new prediction formula for the surface tension of alkenes. In their work, the experimental data of propene, 1-hexene, 1-heptene, 1-octene, 1-decene, 1-tetradecene, and 1-pentadecene were collected and the experimental data were regressed using semi-empirical correlating methods based on the corresponding state theory. To minimize the deviation between the predicted data and the experimental data and to find the optimal equation coefficients for experimental data regression, a (μ + λ)-evolution strategy was adopted. Equations with different number of coefficients are evaluated and the results revealed that the equation with lower number of coefficients gave the best results for the prediction of surface tension of alkenes.

In this work, we used Esmaeilzadeh-Roshanfekr equation of state to obtain the saturated liquid and vapor molar densities and Sugden correlation to calculate the surface tension of pure hydrocarbons. The constant of Sugden correlation called parachor was calculated by the group contribution method and the results was compared with the correlation proposed by Hugill and van Welsenes for parachor constant. Also the accuracy of the proposed model was compared with the other equations of state such as Soave-Redlich-Kwong equation of state (SRK EoS), Peng and Robinson equation of state (PR EoS), and Van der Waals equation of state (VW EoS).

[۱] Corresponding author at: Department of Chemical and Petroleum Engineering, Faculty of Engineering,

Namazi Square, Shiraz, Iran

E-mail addresses: re.farzi.chem.eng@gmail.com (R.Farzi),

Esmaeil@shirazu.ac.ir (F. Esmaeilzadeh).

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رضا فرضی
رضا فرضی
رضا فرضی هستم متولد 71 در شهرستان دیر استان بوشهر، فارغ التحصیل مقطع کارشناسی رشته مهندسی شیمی دانشگاه خلیج فارس بوشهر و در حال حاضر دانشجوی مقطع ارشد مهندسی شیمی دانشگاه شیراز می باشم..
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