DOI: 10.5593/sgem2017/42/S17.079


A. Uspenskii, A. Slobodov, R. Ralys, A. Evdokimov, E. Samujlova
Tuesday 12 September 2017 by Libadmin2017

References: 17th International Multidisciplinary Scientific GeoConference SGEM 2017, www.sgem.org, SGEM2017 Conference Proceedings, ISBN 978-619-7408-07-2 / ISSN 1314-2704, 29 June - 5 July, 2017, Vol. 17, Issue 42, 635-642 pp, DOI: 10.5593/sgem2017/42/S17.079


Proposed methods of thermodynamic description, modeling and calculation for different physico-chemical processes running in various natural and technological systems, represents each of them as a solution (solid, liquid, overcooled) of all its components, which it’s composed, - i.e. with provision of all potentially possible chemical transformations capable to take place in system. Development of the approach includes the correct account of heterogeneous equilibrium of type: the system – gas environment (atmosphere of synthesis) under given composition and volume (pressure).
Besides examined systems are investigated not only as a solutions (that is quite often close for final, high-temperature conditions of some substances synthesis), but also as the equilibrium phase associations of individual substances (that corresponds to initial, low temperatures of synthesis, as well as conditions of its aging and operation).
Thermodynamic modeling and calculation for equilibrium phase-chemical composition of researched system, based on criterion of minimization of its corresponding characteristic function, lays in a basis of the method.
The developed method of the iterative solution and the procedures, realizing it, have no restrictions neither on componentity, nor on a nature of researched systems. Required for modeling and calculations the standard and high-temperature thermodynamic characteristics of substances are received from the developed base of the thermodynamic data, based on expert operation and coordination of most reliable from available literary data, and calculation of missing ones also.
On this bases thermodynamic modelling, calculation and optimization of different natural and industrial processes – processing of iron-manganous concretions (from sea and oceanic shelves), gase-phase synthesis of ammonium chloride (on the basis of ammonia and chlorohydrogen), synthesis of polymer (hydrogel) materials, etc. were carried out. The influence from composition of departing natural and industrial gases, partial pressures, temperature on output of a product is determined, optimum conditions of synthesis are revealed.

Keywords: thermodynamic, modelling, phase-chemical, optimization, technology