Raoultian activity coefficients γ0c of C in infinitely dilute Fe-C binary melts at temperatures of 1833, 1873, 1923, and 1973 K have been determined from the converted mass action concentrations Nc of C in Fe-C binar...Raoultian activity coefficients γ0c of C in infinitely dilute Fe-C binary melts at temperatures of 1833, 1873, 1923, and 1973 K have been determined from the converted mass action concentrations Nc of C in Fe-C binary melts by the developed AMCT-Ni model based on the atom-molecule coexistence theory （AMCT）. The obtained expression of γ0c by the developed AMCT-Ni model has been evaluated to be accurate based on the reported ones from the literature. Meanwhile, three activity coefficients γc,f%,c, andfH,c of C coupled with activity aR,C or a%,c or aH,c have been obtained by the developed AMCT-Ni model and assessed through comparing with the predicted ones by other models from the literature. The first-order activity interaction coefficients ec, ec, and hcc related to γc f%,c, and fH,c are also determined and assessed in comparison with the reported ones from the literature. Furthermore, the integral molar mixing thermodynamic functions such as AmixHm,Fe-C, △mix-Sm,Fe-C, and △mixGm,Fe-C of Fe-C binary melts over a temperature range from 1833 to 1973 K have been determined and evaluated to be valid based on the determined ones from the literature.展开更多
This study on thermodynamic property of NH3-CO2-H2O system provided the basic data for ammonia carbonation. Simulations on vapor-liquid equili- brium （VLE） of ammonia carbonation with different physical properties w...This study on thermodynamic property of NH3-CO2-H2O system provided the basic data for ammonia carbonation. Simulations on vapor-liquid equili- brium （VLE） of ammonia carbonation with different physical properties were discussed in NH3-H20 and NH3-CO2-H2O systems, respectively. The results indicated that at low temperature （303.15 K363.15 K） and pressure （0.1-0.4MPa）, the PR （Peng-Robinson） equation was suitable for the description of the thermodynamic state in NH3-H2O system. NRTL （Non-Random-Two-Liquid） series models were selected for NH3-CO2-H2O mixed electrolyte solution system. VLE data regression results showed that NRTL series models were suitable for describing thermodynamic properties of NH3-CO2-H2O system, because average relative error fitting with each model was about 1%. As an asymmetric electrolytes model in NRTL model, E-NRTLRK （Electrolyte NRTL Redlich Kwong） could most accurately fit VLE data of NH3-CO2- H2O system, with fitting error less than 1%. In the extent temperature range of 273.15 K363.15 K, the prediction of product component using E-NRTLRK model for ammonia carbonation agreed well with the data reported in literature.展开更多
文摘Raoultian activity coefficients γ0c of C in infinitely dilute Fe-C binary melts at temperatures of 1833, 1873, 1923, and 1973 K have been determined from the converted mass action concentrations Nc of C in Fe-C binary melts by the developed AMCT-Ni model based on the atom-molecule coexistence theory （AMCT）. The obtained expression of γ0c by the developed AMCT-Ni model has been evaluated to be accurate based on the reported ones from the literature. Meanwhile, three activity coefficients γc,f%,c, andfH,c of C coupled with activity aR,C or a%,c or aH,c have been obtained by the developed AMCT-Ni model and assessed through comparing with the predicted ones by other models from the literature. The first-order activity interaction coefficients ec, ec, and hcc related to γc f%,c, and fH,c are also determined and assessed in comparison with the reported ones from the literature. Furthermore, the integral molar mixing thermodynamic functions such as AmixHm,Fe-C, △mix-Sm,Fe-C, and △mixGm,Fe-C of Fe-C binary melts over a temperature range from 1833 to 1973 K have been determined and evaluated to be valid based on the determined ones from the literature.
文摘This study on thermodynamic property of NH3-CO2-H2O system provided the basic data for ammonia carbonation. Simulations on vapor-liquid equili- brium （VLE） of ammonia carbonation with different physical properties were discussed in NH3-H20 and NH3-CO2-H2O systems, respectively. The results indicated that at low temperature （303.15 K363.15 K） and pressure （0.1-0.4MPa）, the PR （Peng-Robinson） equation was suitable for the description of the thermodynamic state in NH3-H2O system. NRTL （Non-Random-Two-Liquid） series models were selected for NH3-CO2-H2O mixed electrolyte solution system. VLE data regression results showed that NRTL series models were suitable for describing thermodynamic properties of NH3-CO2-H2O system, because average relative error fitting with each model was about 1%. As an asymmetric electrolytes model in NRTL model, E-NRTLRK （Electrolyte NRTL Redlich Kwong） could most accurately fit VLE data of NH3-CO2- H2O system, with fitting error less than 1%. In the extent temperature range of 273.15 K363.15 K, the prediction of product component using E-NRTLRK model for ammonia carbonation agreed well with the data reported in literature.
