Development of Higher Order Interaction Parameter Formalisms for a Ternary Solution
Автор: ASM International
Загружено: 2023-02-26
Просмотров: 217
Presented by Mir Ishfaq, a graduate student at the Indian Institute of Technology, Bombay and 2023 participant of the ASM Student Speaking Symposium (S3). To learn more about this contest, please visit https://bit.ly/2WXL3WV
Full Presentation Title: Development of Higher Order Interaction Parameter Formalisms for a Ternary Solution in a Thermodynamically Consistent Manner and its Application
Wagner’s Interaction Parameter Formalism (WIPF), being thermodynamically inconsistent (on truncation) and limited in applicability to very dilute solution, have been modified, to extend its utility. In WIPF, the activity coefficients of the solutes present in a solution are represented by Taylor’s series. The present work exhibits the analogy between the activity coefficient expression obtained by partially differentiating the (Redlich-Kister) polynomial representing the excess molar free energy. WIPF truncated after the second order considering special relations obtained by applying Gibbs-Duhem equation is identical to the Darken’s quadratic formalism which is thermodynamically consistent and restricted to a limited concentration range. Therefore, such formalisms cannot be universal. Higher order terms must be included in Redlich-Kister polynomials or in WIPF in a thermodynamically consistent manner to extend its utility for a wide concentration range. In the present work, a general quadratic, cubic and quartic formalism has been developed and applied for a ternary system."
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