A new position group contribution model is proposed for the estimation of normal boiling data of organic compounds involving a carbon chain from C2 to C18.The characteristic of this method is the use of position distr...A new position group contribution model is proposed for the estimation of normal boiling data of organic compounds involving a carbon chain from C2 to C18.The characteristic of this method is the use of position distribution function.It could distinguish most of isomers that include cis-or trans-structure from organic compounds.Contributions for hydrocarbons and hydrocarbon derivatives containing oxygen,nitrogen,chlorine,bromine and sulfur,are given.Compared with the predictions,results made use of the most common existing group contribution methods,the overall average absolute difference of boiling point predictions of 417 organic compounds is 4.2 K;and the average absolute percent derivation is 1.0%,which is compared with 12.3 K and 3.2% with the method of Joback,12.1 K and 3.1% with the method of Constantinou-Gani.This new position contribution groups method is not only much more accurate but also has the advantages of simplicity and stability.展开更多
The elucidation of vapor-liquid equilibrium (VLE) of the halogenated silane was necessary for the production of silicon derivatives, especially for methylvinyldichlorosilane, due to the lack of the relevant reports. I...The elucidation of vapor-liquid equilibrium (VLE) of the halogenated silane was necessary for the production of silicon derivatives, especially for methylvinyldichlorosilane, due to the lack of the relevant reports. Isobaric VLE for the system methyldichlorosilane-dimethyldichlorosilane-benzene and isobaric VLE of the three binary systems were measured with a new pump-ebulliometer at the pressure of 101.325 kPa. These binary compositions of the equilibrium vapor were calculated according to the Q function of molar excess Gibbs energy by the indirect method and the resulted VLE data agreed well with the thermo-dynamic consistency. Moreover, the experimental data were correlated with the Wilson, NRTL, Margules and van Laar equations by means of the least-squares fit, the acquired optimal interaction parameters were fitted to experimental vapor-liquid equilibrium data for binary systems. The binary parameters of Wilson equation were also used to calculate the bubble point temperature and the vapor phase composition for the ternary mixtures without any additional adjustment. The predicted vapor-liquid equilibrium for the ternary system was in a good agreement with the experimental results. The VLE of binary and multilateral systems provided essential theory for the production of the halogenated silane.展开更多
Ebulliometric method based on the error analysis equation is presented for systems with the large phase equilibrium constant. Application is given for the determination and calculation of binary vapor-liquid equilibri...Ebulliometric method based on the error analysis equation is presented for systems with the large phase equilibrium constant. Application is given for the determination and calculation of binary vapor-liquid equilibrium data for the ethanol+n-hexane system. It is also given the comparison results between the ebulliometric method based on the error analysis equation and the quasi-static method.展开更多
Isoplethic VLE data for the systems benzene-hexane at 9 different compositions in the temperature range from 298 K to 331K, chloroform-benzene at 11 different compositions in the temperature range from 308 K to 350 K ...Isoplethic VLE data for the systems benzene-hexane at 9 different compositions in the temperature range from 298 K to 331K, chloroform-benzene at 11 different compositions in the temperature range from 308 K to 350 K and chloroform-hexane at 9 different compositions in the temperature range from 311 K to 337 K were determined by using an inclined ebulliometer with a pump-like stirrer. Isothermal and isobaric VLE were calculated from the isoplethic results with a extended UNIQUAC equation and these data agree well with the literature data.展开更多
文摘A new position group contribution model is proposed for the estimation of normal boiling data of organic compounds involving a carbon chain from C2 to C18.The characteristic of this method is the use of position distribution function.It could distinguish most of isomers that include cis-or trans-structure from organic compounds.Contributions for hydrocarbons and hydrocarbon derivatives containing oxygen,nitrogen,chlorine,bromine and sulfur,are given.Compared with the predictions,results made use of the most common existing group contribution methods,the overall average absolute difference of boiling point predictions of 417 organic compounds is 4.2 K;and the average absolute percent derivation is 1.0%,which is compared with 12.3 K and 3.2% with the method of Joback,12.1 K and 3.1% with the method of Constantinou-Gani.This new position contribution groups method is not only much more accurate but also has the advantages of simplicity and stability.
基金Project supported by the Foundation of Science and Technology, theMinistry of Education (No. 03071), and The Natural Science Foun-dation of Jiangxi Province (No. 0320013), China
文摘The elucidation of vapor-liquid equilibrium (VLE) of the halogenated silane was necessary for the production of silicon derivatives, especially for methylvinyldichlorosilane, due to the lack of the relevant reports. Isobaric VLE for the system methyldichlorosilane-dimethyldichlorosilane-benzene and isobaric VLE of the three binary systems were measured with a new pump-ebulliometer at the pressure of 101.325 kPa. These binary compositions of the equilibrium vapor were calculated according to the Q function of molar excess Gibbs energy by the indirect method and the resulted VLE data agreed well with the thermo-dynamic consistency. Moreover, the experimental data were correlated with the Wilson, NRTL, Margules and van Laar equations by means of the least-squares fit, the acquired optimal interaction parameters were fitted to experimental vapor-liquid equilibrium data for binary systems. The binary parameters of Wilson equation were also used to calculate the bubble point temperature and the vapor phase composition for the ternary mixtures without any additional adjustment. The predicted vapor-liquid equilibrium for the ternary system was in a good agreement with the experimental results. The VLE of binary and multilateral systems provided essential theory for the production of the halogenated silane.
基金Supported by the National Natural Science Foundation of China(No. 29976035) and the Natural Science Foundation of Zhejiang Province.
文摘Ebulliometric method based on the error analysis equation is presented for systems with the large phase equilibrium constant. Application is given for the determination and calculation of binary vapor-liquid equilibrium data for the ethanol+n-hexane system. It is also given the comparison results between the ebulliometric method based on the error analysis equation and the quasi-static method.
基金Supported by Zhejiang Provincial Natural Science Foundation of China.
文摘Isoplethic VLE data for the systems benzene-hexane at 9 different compositions in the temperature range from 298 K to 331K, chloroform-benzene at 11 different compositions in the temperature range from 308 K to 350 K and chloroform-hexane at 9 different compositions in the temperature range from 311 K to 337 K were determined by using an inclined ebulliometer with a pump-like stirrer. Isothermal and isobaric VLE were calculated from the isoplethic results with a extended UNIQUAC equation and these data agree well with the literature data.
