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Modern capabilities of determining equilibrium composition of multicomponent chemical systems
Abstract. Modern capabilities of determining equilibrium composition of multicomponent chemical systems on the basis of the thermodynamic modeling method have been considered. The supposition about full equilibrium in the system as a whole or local equilibrium in its separate parts is the basis of thermodynamic simulation. Extremum seeking of different functions as a method of processing optimization finds application in different branches of science and engineering, including chemistry, metallurgy, ecology etc. The method of entropy maximization considered in the paper allows to conduct thermodynamic simulation of systems with any parameters of their state. The result of thermodynamic simulation can be determination of equilibrium composition, calculation of main product output, definition of unknown thermodynamic parameters of processes, calculation of properties of different media and many other things.
Keywords: chemistry, thermodynamic modeling, equilibrium composition, multicomponent chemical systems, thermodynamics, computer modeling
Printed reference: Devyatkin P.N. Modern capabilities of determining equilibrium composition of multicomponent chemical systems // Vestnik of MSTU. 2010. V. 13, No 4. P. -.
Electronic reference: Devyatkin P.N. Modern capabilities of determining equilibrium composition of multicomponent chemical systems // Vestnik of MSTU. 2010. V. 13, No 4. P. -. URL: http://vestnik.mstu.edu.ru/v13_5_n42/articles/11devyat.pdf.
