Thermodynamic modelling of phase-chemical transformations as the method for study of rheological properties of substances

Abstract

theoretical methods for describing, modelling and calculation of phase-chemical transformations without limitations on numbers of components and phases has been developed with the aim of predicting, evaluating and optimizing the rheological properties of substances and materials, based on extreme thermodynamic functions principle (maximum entropy, minimum free energy, etc.). these methods and databases were implemented in the software-information complex Astics for thermodynamic simulation and calculation of phase-chemical transformations in multi-component engineering systems of different nature. the high effectiveness of the approach is illustrated by results obtained for various natural and engineering systems and processesmineral, rock, geochemical, silicate, glass, etc.

Thermodynamic Modeling of Phase-Chemical Transformations and Equilibrium in Multicomponent Natural and Industrial Waters

“…One can find sufficiently practical solutions either to some or all the problems defined above in the works [1]- [3], [6], [7]. It is worthwhile to mention remarkable peculiarities and difficulties of the research, which are characteristic of water systems, e.g.…”

“…Because P, T are intensive variables and is the intensive one, a number of moles and chemical potentials of substances defining component and phase composition define Gibbs energy. The problem to find all the physical-chemical transformations reduces to the following constrained optimization problem [1]- [3]:…”

“…Therefore, when one performs physical-chemical research of such systems, or solves fundamental and practical problems, the methods of modern thermodynamics [1]- [3] turn out to be correct and potentially very efficient approach. Moreover, even when one deals with non-equilibrium states and processes, mere knowledge of equilibrium properties, e.g.…”

Determination of saturation vapor pressure of low volatile substances through the study of evaporation rate by thermogravimetric analysis

“…Применение данного подхода, расчетного аппарата молекулярно-кинетической теории, диффузи-онной кинетики и теории конвекции приводит в итоге [21][22][23] к определению всех необходимых пара-метров модели и, в частности, к следующему выражению для коэффициента испарения:…”