In this paper, the volumetric properties of pure and mixture of ionic liquids are predicted using the developed statistical mechanical equation of state in different temperatures, pressures and mole fractions. The tem...In this paper, the volumetric properties of pure and mixture of ionic liquids are predicted using the developed statistical mechanical equation of state in different temperatures, pressures and mole fractions. The temperature dependent parameters of the equation of state have been calculated using corresponding state correlation based on only the density at 298.15 K as scaling constants. The obtained mean of deviations of modified equation of state for density of all pure ionic liquids for 1662 data points was 0.25%. In addition, the performance of the artificial neural network(ANN) with principle component analysis(PCA) based on back propagation training with28 neurons in hidden layer for predicting of behavior of binary mixtures of ionic liquids was investigated. The AADs of a collection of 568 data points for all binary systems using the EOS and the ANN at various temperatures and mole fractions are 1.03% and 0.68%, respectively. Moreover, the excess molar volume of all binary mixtures is predicted using obtained densities of EOS and ANN, and the results show that these properties have good agreement with literature.展开更多
A four-parameter, Ghoderao–Dalvi–Narayan 2 cubic equation of state(GDN2 CEOS), is presented which incorporates the following: 1. The experimental value of the critical compressibility factor has been used as a fixed...A four-parameter, Ghoderao–Dalvi–Narayan 2 cubic equation of state(GDN2 CEOS), is presented which incorporates the following: 1. The experimental value of the critical compressibility factor has been used as a fixed input parameter for calculations;2. All the parameters(a, b, c, d) of CEOS are temperature dependent functions in the subcritical region and are temperature independent functions in the supercritical region and;3. A new α function is introduced with two compound specific parameters which are estimated by matching saturated vapor pressure at two fixed temperature points Tr= 0.5, 0.7. Our formalism enables us to cast three of the four parameters of the CEOS as a function of the remaining parameter. The proposed CEOS is used to predict properties of 334 pure compounds, including saturated vapor pressure and liquid density, compressed liquid density, heat capacities at the constant pressure and volume, enthalpy of vaporization, sound velocity. To calculate thermodynamic properties of a pure compound, the present CEOS require the critical temperature, the critical pressure, the Pitzer’s acentric factor, the critical compressibility factor, and two parameters of the alpha function. The saturated liquid density predictions for pure fluids are very accurate when compared with GDN1(Ghoderao–Dalvi–Narayan 1),MPR(Modified Peng–Robinson), and PT(Patel–Teja) equations of state. Unlike MPR EOS, the proposed temperature dependent covolume parameter b in the present work satisfies all the constraints mentioned in the literature to avoid thermodynamic inconsistencies at the extreme temperature and pressure. Using van der Waals one-fluid mixing rule, the present CEOS is further used to predict bubble pressure and the vapor mole fraction of binary mixtures.展开更多
A series of thermodynamic functions are applied to generalize the Benedict-Webb-Rubin equation. The method has been successfully applied to this equation, which reduced the constants of BWR equation from eight to one....A series of thermodynamic functions are applied to generalize the Benedict-Webb-Rubin equation. The method has been successfully applied to this equation, which reduced the constants of BWR equation from eight to one. The calculation of PVT behavior of water over the entire thermodynamic surface is successful with satisfactory deviation.展开更多
1 INTRODUCTIONThe CSP(Corresponding States Principle)has been considered to be a useful methodfor the prediction of fluid properties from a minimum amount of information.One ofits form,the shape factor methods is deve...1 INTRODUCTIONThe CSP(Corresponding States Principle)has been considered to be a useful methodfor the prediction of fluid properties from a minimum amount of information.One ofits form,the shape factor methods is developed through relating the pVT of any interestedpure fluid"a"to that of another"0"by展开更多
In the two-parameter corresponding states principle(CSP), the critical compressibility factors of the fluid under study(called 'a' fluid) and the reference fluid(called 'o' fluid) must be identical. Th...In the two-parameter corresponding states principle(CSP), the critical compressibility factors of the fluid under study(called 'a' fluid) and the reference fluid(called 'o' fluid) must be identical. This is not generally observed in nature. To overcome this limitation, a perfect shape factor CSP is proposed in which the compressibility factors of 'a' and 'o' fluids are corresponded perfectly by introducing a new pressure shape factor 8. Using methane as the 'o' fluid, the shape factors of many fluids are calculated from PVT properties at saturation state and the second virial coefficients. Models are also formulated for the shape factors with the assumption of is a function of temperature and volume while 6 and 5 are temperature dependent only. The models described the shape factors satisfactorily in whole region including vapor, liquid and their co-existing phases. The perfect shape factor CSP could be applied for both polar and non-polar fluids.展开更多
Thermodynamic properties of difluoromethane (HFC-32) are expressed in a 35-termcrossover equation of state. This equation of state is effective at pressures up to 35MPa,densities up to 1450 kg.m-3, and temperatures fr...Thermodynamic properties of difluoromethane (HFC-32) are expressed in a 35-termcrossover equation of state. This equation of state is effective at pressures up to 35MPa,densities up to 1450 kg.m-3, and temperatures from 150 K to 480 K, respectively. Equations for Helmholtz energy, Gibbs energy, internal energy, enthalpy, entropy, isochoric heatcapacity, isobaric heat capacity, speed of sound, and second virial coefficient of HFC-32 arepresented. Independent equations are also included for vapor pressure and saturated liquiddensity as function of temperature.展开更多
采用温度相关比容平移项的比容平移Soave-Redlich-Kwong(VTSRK)方程计算新工质R1234yf和R1234ze(E)的热力学性质以及两种物质与CO_2的二元混合物性质,混合物计算采用van der Waals混合规则,二元交互作用系数由密度数据拟合得到。对纯净...采用温度相关比容平移项的比容平移Soave-Redlich-Kwong(VTSRK)方程计算新工质R1234yf和R1234ze(E)的热力学性质以及两种物质与CO_2的二元混合物性质,混合物计算采用van der Waals混合规则,二元交互作用系数由密度数据拟合得到。对纯净物计算与专用状态方程进行对比,VTSRK方程比SRK方程显著改善了液相密度表征效果。对混合物的密度计算结果与实验数据进行对比,对于R1234yf+CO_2二元混合体系方程与实验数据相对均方根偏差为1.17%,对于R1234ze(E)+CO_2二元混合体系相对均方根偏差为0.82%。结果显示,采用温度相关比容平移项的VTSRK方程应用于R1234yf和R1234ze(E)纯流体以及R1234yf+CO_2和R1234ze(E)+CO_2密度性质计算,可获得较高精度。展开更多
文摘In this paper, the volumetric properties of pure and mixture of ionic liquids are predicted using the developed statistical mechanical equation of state in different temperatures, pressures and mole fractions. The temperature dependent parameters of the equation of state have been calculated using corresponding state correlation based on only the density at 298.15 K as scaling constants. The obtained mean of deviations of modified equation of state for density of all pure ionic liquids for 1662 data points was 0.25%. In addition, the performance of the artificial neural network(ANN) with principle component analysis(PCA) based on back propagation training with28 neurons in hidden layer for predicting of behavior of binary mixtures of ionic liquids was investigated. The AADs of a collection of 568 data points for all binary systems using the EOS and the ANN at various temperatures and mole fractions are 1.03% and 0.68%, respectively. Moreover, the excess molar volume of all binary mixtures is predicted using obtained densities of EOS and ANN, and the results show that these properties have good agreement with literature.
基金supported by the University Grants Commission (UGC – BSR)
文摘A four-parameter, Ghoderao–Dalvi–Narayan 2 cubic equation of state(GDN2 CEOS), is presented which incorporates the following: 1. The experimental value of the critical compressibility factor has been used as a fixed input parameter for calculations;2. All the parameters(a, b, c, d) of CEOS are temperature dependent functions in the subcritical region and are temperature independent functions in the supercritical region and;3. A new α function is introduced with two compound specific parameters which are estimated by matching saturated vapor pressure at two fixed temperature points Tr= 0.5, 0.7. Our formalism enables us to cast three of the four parameters of the CEOS as a function of the remaining parameter. The proposed CEOS is used to predict properties of 334 pure compounds, including saturated vapor pressure and liquid density, compressed liquid density, heat capacities at the constant pressure and volume, enthalpy of vaporization, sound velocity. To calculate thermodynamic properties of a pure compound, the present CEOS require the critical temperature, the critical pressure, the Pitzer’s acentric factor, the critical compressibility factor, and two parameters of the alpha function. The saturated liquid density predictions for pure fluids are very accurate when compared with GDN1(Ghoderao–Dalvi–Narayan 1),MPR(Modified Peng–Robinson), and PT(Patel–Teja) equations of state. Unlike MPR EOS, the proposed temperature dependent covolume parameter b in the present work satisfies all the constraints mentioned in the literature to avoid thermodynamic inconsistencies at the extreme temperature and pressure. Using van der Waals one-fluid mixing rule, the present CEOS is further used to predict bubble pressure and the vapor mole fraction of binary mixtures.
基金The authors are grateful to the National Natural Science Foundation of China and Chinese Academy of Sciences for financial support (29725308 29633020).
文摘A series of thermodynamic functions are applied to generalize the Benedict-Webb-Rubin equation. The method has been successfully applied to this equation, which reduced the constants of BWR equation from eight to one. The calculation of PVT behavior of water over the entire thermodynamic surface is successful with satisfactory deviation.
文摘1 INTRODUCTIONThe CSP(Corresponding States Principle)has been considered to be a useful methodfor the prediction of fluid properties from a minimum amount of information.One ofits form,the shape factor methods is developed through relating the pVT of any interestedpure fluid"a"to that of another"0"by
基金Supported by the National Natural Science Foundation of China (No.29876033), the Doctoral Foundation of Ministry of Education of China (No. 98033508) and the Zhejiang Natural Science Foundation (No. 298030).
文摘In the two-parameter corresponding states principle(CSP), the critical compressibility factors of the fluid under study(called 'a' fluid) and the reference fluid(called 'o' fluid) must be identical. This is not generally observed in nature. To overcome this limitation, a perfect shape factor CSP is proposed in which the compressibility factors of 'a' and 'o' fluids are corresponded perfectly by introducing a new pressure shape factor 8. Using methane as the 'o' fluid, the shape factors of many fluids are calculated from PVT properties at saturation state and the second virial coefficients. Models are also formulated for the shape factors with the assumption of is a function of temperature and volume while 6 and 5 are temperature dependent only. The models described the shape factors satisfactorily in whole region including vapor, liquid and their co-existing phases. The perfect shape factor CSP could be applied for both polar and non-polar fluids.
文摘Thermodynamic properties of difluoromethane (HFC-32) are expressed in a 35-termcrossover equation of state. This equation of state is effective at pressures up to 35MPa,densities up to 1450 kg.m-3, and temperatures from 150 K to 480 K, respectively. Equations for Helmholtz energy, Gibbs energy, internal energy, enthalpy, entropy, isochoric heatcapacity, isobaric heat capacity, speed of sound, and second virial coefficient of HFC-32 arepresented. Independent equations are also included for vapor pressure and saturated liquiddensity as function of temperature.
文摘采用温度相关比容平移项的比容平移Soave-Redlich-Kwong(VTSRK)方程计算新工质R1234yf和R1234ze(E)的热力学性质以及两种物质与CO_2的二元混合物性质,混合物计算采用van der Waals混合规则,二元交互作用系数由密度数据拟合得到。对纯净物计算与专用状态方程进行对比,VTSRK方程比SRK方程显著改善了液相密度表征效果。对混合物的密度计算结果与实验数据进行对比,对于R1234yf+CO_2二元混合体系方程与实验数据相对均方根偏差为1.17%,对于R1234ze(E)+CO_2二元混合体系相对均方根偏差为0.82%。结果显示,采用温度相关比容平移项的VTSRK方程应用于R1234yf和R1234ze(E)纯流体以及R1234yf+CO_2和R1234ze(E)+CO_2密度性质计算,可获得较高精度。
