Calphad ( IF 2.4 ) Pub Date : 2021-06-18 , DOI: 10.1016/j.calphad.2021.102290 Pertti Koukkari , Risto Pajarre
A method where a conjugate pair of the driving force (affinity, ) and extent of reaction (EOR, ) are used as axis variables to present non-equilibrium conditions of multiphase systems as Calphadian phase diagrams is introduced. Three examples for various thermochemical systems include a solid state reaction, steel melt solidification and an aqueous sorption-precipitation system. Both equilibrium and non-equilibrium diagrams were produced to study the thermodynamic validity of the suggested technique. The use of variables can be applied in typical Gibbs energy minimizing programs and provides additional degrees of freedom in the diagrammatic analysis of various multiphase problems.
中文翻译:
以驱动力和反应程度为轴变量的相图
一种方法,其中驱动力的共轭对(亲和力, ) 和反应程度 (EOR, ) 用作轴变量来呈现多相系统的非平衡条件,因为引入了 Calphadian 相图。各种热化学系统的三个例子包括固态反应、钢熔体凝固和水吸附-沉淀系统。生成了平衡和非平衡图来研究所建议技术的热力学有效性。指某东西的用途 变量可以应用于典型的 Gibbs 能量最小化程序,并在各种多相问题的图解分析中提供额外的自由度。