Development of New Vapor Pressure Correlation for Organic Compounds

Abstract

The vapor pressures of organic compounds are the most important thermodynamics property needed by engineers in different industries for instant petrochemical and chemical processes as it is a useful thermodynamic property related to many other properties. The aim of this study is the development of new vapor pressure equation of organic compounds. The study covered the organic compounds (C1 to C12) namely n-alkanes, cycloalkanes, branched alkanes, alkenes, alkynes, haloalkanes, diene, aromatic hydrocarbons, halo benzene, alcohols, ethers, ketones, esters, amines, and xylene. The original Antoine equation:

1.1 To generalize the equation the constants A, B and C has been determined using physical boundary conditions as critical condition, normal boiling point, and Accentric factor. Series of tests for the validation of the model on two methods of experimental data and Antoine of each organic compound were conducted to determine the minimum Average Percent Deviation, maximum Average Percent Deviation and Average Absolute Percent Deviation (AAPD %) over the temperature range (T_min,T_max) for the different vapor pressure of organic compounds. In the results, 25 pure substances (228 experimental data points) and 64 pure substances (666 Antoine data points) were used in the model validation. The model reproduces the vapor pressure with an overall (AAPD) of 5% and 10% respectively. This research showed that the model has been successfully tested for a variety of compounds and can be used for organic compounds. It is recommended to replace the Pitzer equation by other accentric factor equations in boundary conditions to determine the generalized model coefficients and estimate the vapor pressures. The vapor pressures of organic compounds are the most important thermodynamics property needed by engineers in different industries for instant petrochemical and chemical processes as it is a useful thermodynamic property related to many other properties. The aim of this study is the development of new vapor pressure equation of organic compounds. The study covered the organic compounds (C1 to C12) namely n-alkanes, cycloalkanes, branched alkanes, alkenes, alkynes, haloalkanes, diene, aromatic hydrocarbons, halo benzene, alcohols, ethers, ketones, esters, amines, and xylene. The original Antoine equation:

1.1 To generalize the equation the constants A, B and C has been determined using physical boundary conditions as critical condition, normal boiling point, and Accentric factor. Series of tests for the validation of the model on two methods of experimental data and Antoine of each organic compound were conducted to determine the minimum Average Percent Deviation, maximum Average Percent Deviation and Average Absolute Percent Deviation (AAPD %) over the temperature range (T_min,T_max) for the different vapor pressure of organic compounds. In the results, 25 pure substances (228 experimental data points) and 64 pure substances (666 Antoine data points) were used in the model validation. The model reproduces the vapor pressure with an overall (AAPD) of 5% and 10% respectively. This research showed that the model has been successfully tested for a variety of compounds and can be used for organic compounds. It is recommended to replace the Pitzer equation by other accentric factor equations in boundary conditions to determine the generalized model coefficients and estimate the vapor pressures.