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Daoyong Yang - One of the best experts on this subject based on the ideXlab platform.
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correlations estimation of equilibrium interfacial tension for methane co2 water brine systems based on Mutual Solubility
Fluid Phase Equilibria, 2019Co-Authors: Zehua Chen, Daoyong YangAbstract:Abstract In this study, an effort has been made to accurately correlate equilibrium interfacial tension (IFT) between methane and water/brine with their Mutual Solubility in a temperature range of 278.2–477.6 K and pressure range of 0.01–107.10 MPa, respectively, while comparisons have been made between the CO2-water pair and methane-water pair and then the IFT estimation is extended to ternary systems with a newly developed mixing rule. The newly developed model is found to reproduce IFTs between methane and water with an absolute average relative deviation (AARD) of 3.5% and greatly outperform the three existing correlations. Both a higher methane Solubility in aqueous phase and a higher water Solubility in hydrocarbon phase can decrease the IFT. Also, the new model can help explain the slight IFT change for methane-water pair but a simultaneously great change of their Mutual Solubility at low pressures. Temperature is found to exert an effect on IFT mainly through regulating the water Solubility in hydrocarbon phase, while the pressure imposes an impact on IFT mainly through regulating the methane Solubility in aqueous phase. The newly developed model can yield a reasonable estimate for the IFTs between natural gas and water/brine. It is found that using two sets of correlations and adding a pressure term are both necessary to account for the density effects on IFT for CO2-water pair in the vapor-liquid (aqueous) region at temperatures lower and near the CO2 critical temperature (i.e., 304.3 K), whereas they are not necessary for methane-water pair, whose density is changed more smoothly rather than sharply in the supercritical region. In addition, a new mixing rule is developed to successfully extend the IFT correlations based on Mutual Solubility to the ternary methane-CO2-water systems with an AARD of 5.2%.
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determination of Mutual Solubility between n alkanes n alkylbenzenes and water by using peng robinson equation of state with modified alpha functions and generalized bip correlations
Fluid Phase Equilibria, 2018Co-Authors: Zehua Chen, Daoyong YangAbstract:Abstract It is too specific to a given pair (i.e., Solubility data must be re-tuned for a new pair, while it is difficult to achieve generalization) for the widely used models, e.g., Henry's law, cubic-plus-association equation of state (CPA EOS), statistical associating fluid theory (SAFT), and specific Solubility equations, to predict Mutual Solubility for hydrocarbon-water pairs, while other constraints such as increased computational expenses and requirement of molecular structures limit their extensive applications. In this study, a generalized methodology has been developed to predict the Mutual Solubility for n-alkanes (i.e., C3-C20)/n-alkylbenzenes (i.e., C6-C12)-water pairs by using the Peng-Robinson equation of state (PR EOS). A comprehensive database has firstly been developed with the experimentally measured Solubility data in a temperature range of 273.2–479.5 K. In addition to the two newly modified alpha functions respectively for hydrocarbons and water, the binary interaction parameters (BIPs) for both aqueous phase and liquid hydrocarbon phase are tuned to match the experimental solubilities. The tuned BIPs are then regressed as functions of reduced temperatures and carbon numbers of hydrocarbons for both aqueous phase and liquid hydrocarbon phase, respectively. The BIP correlations developed in this work can be used to accurately reproduce the experimental measurements with significant improvements over the existing models except for propane-water pair and n-butane-water pair. Also, such newly developed models have been further validated with the experimentally measured heat of solution, Solubility minimum temperature, and heat capacity of solution, while sensitivity analysis has been performed to examine the effects of different parameters on the predicted Mutual Solubility.
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prediction of phase behaviour for n alkane co2 water systems with consideration of Mutual Solubility using peng robinson equation of state
Journal of Supercritical Fluids, 2018Co-Authors: Zehua Chen, Daoyong YangAbstract:Abstract In addition to new binary interaction parameters (BIPs) which are regressed with Mutual Solubility data of binary mixtures, Peng-Robinson equation of state (PR EOS) together with two newly modified alpha functions respectively for non-water components and water are used to determine the two-phase compositions for methane-CO2-water mixtures and three-phase compositions and three-phase upper critical end points (UCEPs) (i.e., the pressure at which the alkane-rich phase becomes identical to the CO2-rich phase at a given temperature) for propane/n-heptane/n-decane-CO2-water mixtures (i.e., Model #1) at temperatures and pressures up to 423 K and 14500 psia (100 MPa). Model #1 is found to accurately predict the two-phase compositions for methane-CO2-water mixtures. Model #1 yields much better predictions of three-phase compositions for propane/n-heptane/n-decane-CO2-water mixtures than the existing SAFT-VR (i.e., statistical associating fluid theory-variable range) model (i.e., Model #2), whereas the prediction accuracy with both Models #1 and 2 for x W n o n − a q 1 (i.e., the molar fraction of water in alkane-rich phase) and x H C a q is still compromised. By comparing the molar fractions between binary mixtures and ternary mixtures, it is found that the addition of CO2 can significantly reduce the methane Solubility, but enhance the propane/n-heptane/n-decane Solubility in aqueous phase (i.e., water-rich phase), while addition of methane can greatly reduce the CO2 dissolution in aqueous phase. Such an effect for methane-CO2-water mixtures is closely related to the molar fraction of methane (i.e., the ratio of the molar fraction of methane to that of methane + CO2 in feed). The addition of CO2 can significantly enhance the water dissolution in alkane-rich phase. Model #1 yields accurate predictions for three-phase UCEPs and critical phase compositions except for the water molar fraction. Overall, for the predicted three-phase UCEPs, B I P H C - C O 2 imposes the largest effect, B I P H C − W n o n − a q ranks the second, and B I P C O 2 − W n o n − a q takes the third place. B I P H C − W a q and B I P C O 2 − W a q exert no effects on the predicted three-phase UCEPs.
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prediction of equilibrium interfacial tension between co2 and water based on Mutual Solubility
Industrial & Engineering Chemistry Research, 2018Co-Authors: Zehua Chen, Daoyong YangAbstract:In this paper, an interfacial tension (IFT) correlation (i.e., Model #2) between CO2 and water is generalized as a function of their Mutual Solubility and the reduced pressure of CO2 in a temperature range of 278.2–469.2 K and a pressure range of 0.10–69.10 MPa. Two sets of correlation coefficients are respectively regressed for pressures lower and higher than the critical pressure of CO2 (i.e., 7.38 MPa). Such a newly developed correlation is calculated to yield an absolute average relative deviation (AARD) of 4.5%, a maximum absolute relative deviation (MARD) of 32.3%, and a maximum absolute deviation (MAD) of 1.65 mN/m, respectively. The newly developed model is found to greatly outperform the four existing correlations as a function of temperature, pressure, or CO2 Solubility in water. A higher CO2 Solubility in water (i.e., xCO2) leads to a lower IFT for all pressures, while a higher water Solubility in the CO2 phase (i.e., yW) results in a lower IFT mainly at lower pressures. Both pressure and tempe...
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determination of Mutual Solubility between co2 and water by using the peng robinson equation of state with modified alpha function and binary interaction parameter
Industrial & Engineering Chemistry Research, 2013Co-Authors: Daoyong YangAbstract:Techniques have been developed to determine Mutual Solubility between CO2 and water by using the Peng–Robinson equation of state (PR EOS) with a modified alpha function and a new binary interaction parameter (BIP) correlation in the presence and absence of hydrocarbons. More specifically, the alpha function for the water compound is modified by improving its prediction for water vapor pressure in the full temperature range of 273.16 to 647.10 K with an overall absolute average relative deviation (AARD) of 0.07%. Also, the polynomial temperature-dependent BIP correlation for the CO2–water pair in the aqueous phase is proposed by matching CO2 Solubility in water at temperatures from 273.15 to 448.15 K and pressures up to 100 MPa. It is found that the newly modified alpha function together with the proposed BIP correlation provides more accurate prediction of the CO2 Solubility in water with an overall AARD of 6.12%, compared with 8.67% from the previous exponential BIP correlation. As for the nonaqueous pha...
Zehua Chen - One of the best experts on this subject based on the ideXlab platform.
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correlations estimation of equilibrium interfacial tension for methane co2 water brine systems based on Mutual Solubility
Fluid Phase Equilibria, 2019Co-Authors: Zehua Chen, Daoyong YangAbstract:Abstract In this study, an effort has been made to accurately correlate equilibrium interfacial tension (IFT) between methane and water/brine with their Mutual Solubility in a temperature range of 278.2–477.6 K and pressure range of 0.01–107.10 MPa, respectively, while comparisons have been made between the CO2-water pair and methane-water pair and then the IFT estimation is extended to ternary systems with a newly developed mixing rule. The newly developed model is found to reproduce IFTs between methane and water with an absolute average relative deviation (AARD) of 3.5% and greatly outperform the three existing correlations. Both a higher methane Solubility in aqueous phase and a higher water Solubility in hydrocarbon phase can decrease the IFT. Also, the new model can help explain the slight IFT change for methane-water pair but a simultaneously great change of their Mutual Solubility at low pressures. Temperature is found to exert an effect on IFT mainly through regulating the water Solubility in hydrocarbon phase, while the pressure imposes an impact on IFT mainly through regulating the methane Solubility in aqueous phase. The newly developed model can yield a reasonable estimate for the IFTs between natural gas and water/brine. It is found that using two sets of correlations and adding a pressure term are both necessary to account for the density effects on IFT for CO2-water pair in the vapor-liquid (aqueous) region at temperatures lower and near the CO2 critical temperature (i.e., 304.3 K), whereas they are not necessary for methane-water pair, whose density is changed more smoothly rather than sharply in the supercritical region. In addition, a new mixing rule is developed to successfully extend the IFT correlations based on Mutual Solubility to the ternary methane-CO2-water systems with an AARD of 5.2%.
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determination of Mutual Solubility between n alkanes n alkylbenzenes and water by using peng robinson equation of state with modified alpha functions and generalized bip correlations
Fluid Phase Equilibria, 2018Co-Authors: Zehua Chen, Daoyong YangAbstract:Abstract It is too specific to a given pair (i.e., Solubility data must be re-tuned for a new pair, while it is difficult to achieve generalization) for the widely used models, e.g., Henry's law, cubic-plus-association equation of state (CPA EOS), statistical associating fluid theory (SAFT), and specific Solubility equations, to predict Mutual Solubility for hydrocarbon-water pairs, while other constraints such as increased computational expenses and requirement of molecular structures limit their extensive applications. In this study, a generalized methodology has been developed to predict the Mutual Solubility for n-alkanes (i.e., C3-C20)/n-alkylbenzenes (i.e., C6-C12)-water pairs by using the Peng-Robinson equation of state (PR EOS). A comprehensive database has firstly been developed with the experimentally measured Solubility data in a temperature range of 273.2–479.5 K. In addition to the two newly modified alpha functions respectively for hydrocarbons and water, the binary interaction parameters (BIPs) for both aqueous phase and liquid hydrocarbon phase are tuned to match the experimental solubilities. The tuned BIPs are then regressed as functions of reduced temperatures and carbon numbers of hydrocarbons for both aqueous phase and liquid hydrocarbon phase, respectively. The BIP correlations developed in this work can be used to accurately reproduce the experimental measurements with significant improvements over the existing models except for propane-water pair and n-butane-water pair. Also, such newly developed models have been further validated with the experimentally measured heat of solution, Solubility minimum temperature, and heat capacity of solution, while sensitivity analysis has been performed to examine the effects of different parameters on the predicted Mutual Solubility.
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prediction of phase behaviour for n alkane co2 water systems with consideration of Mutual Solubility using peng robinson equation of state
Journal of Supercritical Fluids, 2018Co-Authors: Zehua Chen, Daoyong YangAbstract:Abstract In addition to new binary interaction parameters (BIPs) which are regressed with Mutual Solubility data of binary mixtures, Peng-Robinson equation of state (PR EOS) together with two newly modified alpha functions respectively for non-water components and water are used to determine the two-phase compositions for methane-CO2-water mixtures and three-phase compositions and three-phase upper critical end points (UCEPs) (i.e., the pressure at which the alkane-rich phase becomes identical to the CO2-rich phase at a given temperature) for propane/n-heptane/n-decane-CO2-water mixtures (i.e., Model #1) at temperatures and pressures up to 423 K and 14500 psia (100 MPa). Model #1 is found to accurately predict the two-phase compositions for methane-CO2-water mixtures. Model #1 yields much better predictions of three-phase compositions for propane/n-heptane/n-decane-CO2-water mixtures than the existing SAFT-VR (i.e., statistical associating fluid theory-variable range) model (i.e., Model #2), whereas the prediction accuracy with both Models #1 and 2 for x W n o n − a q 1 (i.e., the molar fraction of water in alkane-rich phase) and x H C a q is still compromised. By comparing the molar fractions between binary mixtures and ternary mixtures, it is found that the addition of CO2 can significantly reduce the methane Solubility, but enhance the propane/n-heptane/n-decane Solubility in aqueous phase (i.e., water-rich phase), while addition of methane can greatly reduce the CO2 dissolution in aqueous phase. Such an effect for methane-CO2-water mixtures is closely related to the molar fraction of methane (i.e., the ratio of the molar fraction of methane to that of methane + CO2 in feed). The addition of CO2 can significantly enhance the water dissolution in alkane-rich phase. Model #1 yields accurate predictions for three-phase UCEPs and critical phase compositions except for the water molar fraction. Overall, for the predicted three-phase UCEPs, B I P H C - C O 2 imposes the largest effect, B I P H C − W n o n − a q ranks the second, and B I P C O 2 − W n o n − a q takes the third place. B I P H C − W a q and B I P C O 2 − W a q exert no effects on the predicted three-phase UCEPs.
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prediction of equilibrium interfacial tension between co2 and water based on Mutual Solubility
Industrial & Engineering Chemistry Research, 2018Co-Authors: Zehua Chen, Daoyong YangAbstract:In this paper, an interfacial tension (IFT) correlation (i.e., Model #2) between CO2 and water is generalized as a function of their Mutual Solubility and the reduced pressure of CO2 in a temperature range of 278.2–469.2 K and a pressure range of 0.10–69.10 MPa. Two sets of correlation coefficients are respectively regressed for pressures lower and higher than the critical pressure of CO2 (i.e., 7.38 MPa). Such a newly developed correlation is calculated to yield an absolute average relative deviation (AARD) of 4.5%, a maximum absolute relative deviation (MARD) of 32.3%, and a maximum absolute deviation (MAD) of 1.65 mN/m, respectively. The newly developed model is found to greatly outperform the four existing correlations as a function of temperature, pressure, or CO2 Solubility in water. A higher CO2 Solubility in water (i.e., xCO2) leads to a lower IFT for all pressures, while a higher water Solubility in the CO2 phase (i.e., yW) results in a lower IFT mainly at lower pressures. Both pressure and tempe...
Kazuhiro Tamura - One of the best experts on this subject based on the ideXlab platform.
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Mutual Solubility measurements and correlations of imidazolium based ionic liquid mixtures with alcohols
The Journal of Chemical Thermodynamics, 2012Co-Authors: Chayanaphat Chokradjaroen, Kazuhiro TamuraAbstract:Abstract The Mutual Solubility of ionic liquids (ILs), 1-butyl-3-ethylimidazolium tetrafluoroborate, 1-butyl-3-propylimidazolium tetrafluoroborate, and 1,3-dibutylimidazolium tetrafluoroborate with alcohols, 1-propanol, 1-butanol, 1-pentanol, and 1-hexanol were measured at atmospheric pressure. Upper critical solution temperatures (UCSTs) were estimated from experimental results using a polynomial equation. The UCSTs increased as increasing the chain length of alcohol. On other hand, the decreasing UCSTs occurred when the alkyl chain length on the cation of ionic liquids increased. The (liquid + liquid) equilibrium data were correlated by the original UNIQUAC, extended UNIQUAC, and modified UNIQUAC models. The temperature dependence of the Solubility of ILs in alcohols and alcohols in ILs is represented successfully using the UNIQUAC, extended UNIQUAC, and modified UNIQUAC models with a quadratic function of temperature for binary energy parameters.
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temperature dependence on Mutual Solubility of binary methanol limonene mixture and liquid liquid equilibria of ternary methanol ethanol limonene mixture
The Journal of Chemical Thermodynamics, 2009Co-Authors: Kazuhiro TamuraAbstract:Abstract Mutual Solubility data of the binary (methanol + limonene) mixture at the temperatures ranging from 288.15 K close to upper critical solution temperature, and ternary (liquid + liquid) equilibrium (tie-lines) of the (methanol + ethanol + limonene) mixture at the temperatures (288.15, 298.15, and 308.15) K have been obtained. The experimental results have been represented accurately in terms of the extended and modified UNIQUAC models with binary parameters, compared with the UNIQUAC model. The temperature dependence of binary and ternary (liquid + liquid) equilibrium for the binary (methanol + limonene) and ternary (methanol + ethanol + limonene) mixtures could be calculated successfully using the extended and modified UNIQUAC model.
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temperature dependence on Mutual Solubility data of the binary methanol α pinene or β pinene systems and ternary liquid liquid equilibria for the methanol ethanol α pinene or β pinene systems
Journal of Chemical & Engineering Data, 2008Co-Authors: Kazuhiro TamuraAbstract:Mutual Solubility data of the binary systems (methanol + α-pinene or β-pinene) at temperatures ranging from 288.15 K close to upper critical solution temperatures, and ternary liquid−liquid equilibria and tie-lines of the mixtures (methanol + ethanol + α-pinene or β-pinene) at temperatures 288.15 K, 298.15 K, and 308.15 K have been measured. The experimental binary and ternary liquid−liquid equilibrium data have been correlated by the original, extended, and modified UNIQUAC models. Good agreement between the experimental and correlated values was obtained using the extended and modified UNIQUAC models. The temperature dependence of the binary and ternary liquid−liquid phase equilibria (methanol + α-pinene or β-pinene) mixtures with ethanol was demonstrated experimentally and represented by the extended and modified UNIQUAC models.
Isamu Nagata - One of the best experts on this subject based on the ideXlab platform.
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The temperature dependence of the Mutual Solubility of alcohol-hydrocarbon mixtures
Thermochimica Acta, 1992Co-Authors: Isamu Nagata, Kaoru MiyamotoAbstract:Abstract Binary liquid-liquid equilibrium data for alcohol + saturated hydrocarbon mixtures over a wide temperature range have been well correlated with the uniquac associated-solution model, whose energy parameters are assumed to be temperature dependent. The derived parameters lead to good prediction of the activity coefficients in miscible regions for the binary mixtures, and of liquid-liquid equilibria for ternary mixtures of methanol with two saturated hydrocarbons.
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representation of Mutual Solubility data over a wide temperature range using a modified wilson equation
Thermochimica Acta, 1992Co-Authors: Isamu Nagata, Kaoru MiyamotoAbstract:Abstract A modified Wilson equation having four constants is used to describe the temperature dependence of Mutual Solubility data. The energy parameters are expressed by a quadratic function of temperature. The twenty-three systems studied are classified into three groups: (1) ten systems have an upper consolute temperature; (2) ten systems show a closed envelope of partial miscibility; (3) three systems have a lower consolute temperature. Calculated values are in close agreement with experimental results. For four selected systems in homogeneous regions, the method predicted the activity coefficients well and estimated excess molar enthalpies rather qualitatively.
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correlation of binary liquid liquid equilibrium data over a wide temperature range using uniquac and extended uniquac models
Fluid Phase Equilibria, 1991Co-Authors: Isamu Nagata, Thomas Meyer, Jurgen GmehlingAbstract:Abstract The temperature effect on Mutual Solubility data for 81 binary systems has been studied by means of UNIQUAC and extended UNIQUAC models. The energy parameters of the models are expressed by a quadratic function of temperature. Among the systems studied 61 systems have an upper critical point, 14 systems have a closed partial miscibility and in six systems the Mutual Solubility increases with decreasing temperature. The extended UNIQUAC model shows significant improvement for some systems and therefore slightly better results, on average, than the original UNIQUAC model.
Kaoru Miyamoto - One of the best experts on this subject based on the ideXlab platform.
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The temperature dependence of the Mutual Solubility of alcohol-hydrocarbon mixtures
Thermochimica Acta, 1992Co-Authors: Isamu Nagata, Kaoru MiyamotoAbstract:Abstract Binary liquid-liquid equilibrium data for alcohol + saturated hydrocarbon mixtures over a wide temperature range have been well correlated with the uniquac associated-solution model, whose energy parameters are assumed to be temperature dependent. The derived parameters lead to good prediction of the activity coefficients in miscible regions for the binary mixtures, and of liquid-liquid equilibria for ternary mixtures of methanol with two saturated hydrocarbons.
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representation of Mutual Solubility data over a wide temperature range using a modified wilson equation
Thermochimica Acta, 1992Co-Authors: Isamu Nagata, Kaoru MiyamotoAbstract:Abstract A modified Wilson equation having four constants is used to describe the temperature dependence of Mutual Solubility data. The energy parameters are expressed by a quadratic function of temperature. The twenty-three systems studied are classified into three groups: (1) ten systems have an upper consolute temperature; (2) ten systems show a closed envelope of partial miscibility; (3) three systems have a lower consolute temperature. Calculated values are in close agreement with experimental results. For four selected systems in homogeneous regions, the method predicted the activity coefficients well and estimated excess molar enthalpies rather qualitatively.
