It is still a challenging task to accurately and temperature-continuously express the thermodynamic properties and phase equilibrium behaviors of the salt-lake brine with multi-component,multitemperature and high conc...It is still a challenging task to accurately and temperature-continuously express the thermodynamic properties and phase equilibrium behaviors of the salt-lake brine with multi-component,multitemperature and high concentration.The essential subsystem of sulfate type brine,aqueous Li^(+)-Na^(+)-K^(+)-SO_(4)^(2-) and its subsystems across a temperature range from 250 K to 643 K are investigated with the improved comprehensive thermodynamic model.Liquid parameters(Δg_(IJ),Δh_(IJ),and ΔC_(p,IJ))associated with the contributions of Gibbs energy,enthalpy,and heat capacity to the binary interaction parameters,i.e.the temperature coefficients of eNRTL parameters formulated with a Gibbs Helmholtz expression,are determined via multi-objective optimization method.The solid constantsΔ_(f)G_(k)°^((298.15))andΔ_(f)H_(k)°^((298.15))of11 solid species occurred in the quaternary system are rebuilt from multi-temperature solubilities.The modeling results show the accurate representation of(1)solution properties and binary phase diagram at temperature ranges from eutectic points to 643 K;(2)isothermal phase diagrams for Li_(2)SO_(4)-Na_(2)SO_(4)-H_(2)O,Li_(2)SO_(4)-K_(2)SO_(4)-H_(2)O and Na_(2)SO_(4)-K_(2)SO_(4)-H_(2)O ternary systems.The predicted results of complete structure and polythermal phase diagram of ternary systems and the isothermal phase diagrams of quaternary system excellently match with the experimental data.展开更多
The pseudo-equilibrium phase diagram and continuous cooling transformation diagram of an N-containing 8％ Cr roller steel were investigated by using thermodynamic calculation,differential scanning calorimetry,Ⅹ-ray d...The pseudo-equilibrium phase diagram and continuous cooling transformation diagram of an N-containing 8％ Cr roller steel were investigated by using thermodynamic calculation,differential scanning calorimetry,Ⅹ-ray diffraction,expansion method,and so on.Under equilibrium conditions,the main carbonitrides are MX,M7C3,and M23C6 types.The measured Ac1,Ac3,start temperature of martensitic transformation,and M7C3 transformation temperatures are 811,855,324,and 1100 ℃,respectively.Bainite appears at cooling rates ranging from 0.5 to 5 ℃/s and ferrite forms at grain boundaries at a cooling rate lower than 0.5 ℃/s.Finally,the effects of adding N and lowering the C content on workability and mechanical properties of common 8％Cr steel were discussed.展开更多
用ε-β"鱼状"相图法研究了阳离子表面活性剂十六烷基三甲基溴化铵(CTAB)与非离子表面活性剂辛基苯酚聚氧乙烯(10)醚(TX-100)以不同摩尔比复配形成的CTAB/TX-100/醇/油/NaCl水溶液微乳液体系的相行为和增溶性能。结果表明,随...用ε-β"鱼状"相图法研究了阳离子表面活性剂十六烷基三甲基溴化铵(CTAB)与非离子表面活性剂辛基苯酚聚氧乙烯(10)醚(TX-100)以不同摩尔比复配形成的CTAB/TX-100/醇/油/NaCl水溶液微乳液体系的相行为和增溶性能。结果表明,随着醇浓度的增加,体系由水包油型(O/W)(winsor I or 2)下相微乳液和过量的油经双连续相微乳液(B.C)(winsor Ⅲ or 3)转变为油包水型(W/O)(winsor Ⅱ or 2),并利用HLB平衡方程计算出一些相关重要的物理化学参数:βB,εB,βE,εE,AS,SO,AO,CS,CA,CA/(CA+CS),R。阳离子和非离子表面活性剂以不同摩尔比复配,由于CTAB和TX-100表面活性剂分子之间的相互作用,使复配体系比单一表面活性剂具有更好的增溶效果。并研究了NaCl水溶液、油以及醇不同因素对该体系中相微乳液相行为的影响。展开更多
An integrated modeling tool coupling thermo- dynamic calculation and kinetic simulation of multicom- ponent alloys is developed under the framework of integrated computational materials engineering. On the basis of Pa...An integrated modeling tool coupling thermo- dynamic calculation and kinetic simulation of multicom- ponent alloys is developed under the framework of integrated computational materials engineering. On the basis of PandatTM software for multicomponent phase diagram calculation, the new tool is designed in an inte- grated workspace and is targeted to understand the com- position-processing-structure-property relationships of multicomponent systems. In particular, the phase diagram calculation module is used to understand the phase stability under the given conditions. The calculated phase equilib- rium information, such as phase composition and chemical driving force, provides input for the kinetic simulation. In this paper, the design of the modeling tool will be pre- sented and the calculation examples from the different modules will also be demonstrated.展开更多
基金financial support of the National Natural Science Foundation of China(U1707602,U1407204)Yangtze Scholars and Innovative Research Team in University of Education of China,the Innovative Research Team of Tianjin Municipal Education Commission(TD125004)。
文摘It is still a challenging task to accurately and temperature-continuously express the thermodynamic properties and phase equilibrium behaviors of the salt-lake brine with multi-component,multitemperature and high concentration.The essential subsystem of sulfate type brine,aqueous Li^(+)-Na^(+)-K^(+)-SO_(4)^(2-) and its subsystems across a temperature range from 250 K to 643 K are investigated with the improved comprehensive thermodynamic model.Liquid parameters(Δg_(IJ),Δh_(IJ),and ΔC_(p,IJ))associated with the contributions of Gibbs energy,enthalpy,and heat capacity to the binary interaction parameters,i.e.the temperature coefficients of eNRTL parameters formulated with a Gibbs Helmholtz expression,are determined via multi-objective optimization method.The solid constantsΔ_(f)G_(k)°^((298.15))andΔ_(f)H_(k)°^((298.15))of11 solid species occurred in the quaternary system are rebuilt from multi-temperature solubilities.The modeling results show the accurate representation of(1)solution properties and binary phase diagram at temperature ranges from eutectic points to 643 K;(2)isothermal phase diagrams for Li_(2)SO_(4)-Na_(2)SO_(4)-H_(2)O,Li_(2)SO_(4)-K_(2)SO_(4)-H_(2)O and Na_(2)SO_(4)-K_(2)SO_(4)-H_(2)O ternary systems.The predicted results of complete structure and polythermal phase diagram of ternary systems and the isothermal phase diagrams of quaternary system excellently match with the experimental data.
基金Sponsored by the Natural Science Foundation of Hebei Province for Distinguished Young Scholars(Grant No.E2011203131)the Natural Science Foundation-Steel and Iron Foundation of Hebei Province(Grant No.E2013203110)
文摘The pseudo-equilibrium phase diagram and continuous cooling transformation diagram of an N-containing 8％ Cr roller steel were investigated by using thermodynamic calculation,differential scanning calorimetry,Ⅹ-ray diffraction,expansion method,and so on.Under equilibrium conditions,the main carbonitrides are MX,M7C3,and M23C6 types.The measured Ac1,Ac3,start temperature of martensitic transformation,and M7C3 transformation temperatures are 811,855,324,and 1100 ℃,respectively.Bainite appears at cooling rates ranging from 0.5 to 5 ℃/s and ferrite forms at grain boundaries at a cooling rate lower than 0.5 ℃/s.Finally,the effects of adding N and lowering the C content on workability and mechanical properties of common 8％Cr steel were discussed.
文摘用ε-β"鱼状"相图法研究了阳离子表面活性剂十六烷基三甲基溴化铵(CTAB)与非离子表面活性剂辛基苯酚聚氧乙烯(10)醚(TX-100)以不同摩尔比复配形成的CTAB/TX-100/醇/油/NaCl水溶液微乳液体系的相行为和增溶性能。结果表明,随着醇浓度的增加,体系由水包油型(O/W)(winsor I or 2)下相微乳液和过量的油经双连续相微乳液(B.C)(winsor Ⅲ or 3)转变为油包水型(W/O)(winsor Ⅱ or 2),并利用HLB平衡方程计算出一些相关重要的物理化学参数:βB,εB,βE,εE,AS,SO,AO,CS,CA,CA/(CA+CS),R。阳离子和非离子表面活性剂以不同摩尔比复配,由于CTAB和TX-100表面活性剂分子之间的相互作用,使复配体系比单一表面活性剂具有更好的增溶效果。并研究了NaCl水溶液、油以及醇不同因素对该体系中相微乳液相行为的影响。
文摘An integrated modeling tool coupling thermo- dynamic calculation and kinetic simulation of multicom- ponent alloys is developed under the framework of integrated computational materials engineering. On the basis of PandatTM software for multicomponent phase diagram calculation, the new tool is designed in an inte- grated workspace and is targeted to understand the com- position-processing-structure-property relationships of multicomponent systems. In particular, the phase diagram calculation module is used to understand the phase stability under the given conditions. The calculated phase equilib- rium information, such as phase composition and chemical driving force, provides input for the kinetic simulation. In this paper, the design of the modeling tool will be pre- sented and the calculation examples from the different modules will also be demonstrated.
