He Yingying, Zhang Jieyu, Cheng Shuwu. The Calculation of Equilibrium Composition in Multicomponent and Multiphase Chemical Reaction System[J]. Chinese Journal of Engineering, 1986, 8(S2): 42-57. DOI: 10.13374/j.issn1001-053x.1986.s2.007
Citation: He Yingying, Zhang Jieyu, Cheng Shuwu. The Calculation of Equilibrium Composition in Multicomponent and Multiphase Chemical Reaction System[J]. Chinese Journal of Engineering, 1986, 8(S2): 42-57. DOI: 10.13374/j.issn1001-053x.1986.s2.007

The Calculation of Equilibrium Composition in Multicomponent and Multiphase Chemical Reaction System

  • In this paper we discussed Brinkley's method, YCS's method and White's method for the calculation of multicomponent and multiphase chemical equilibr ium.White's method has the advantage of high calculation speed.It is no use for White's method determining the independent reactions and to sort the independent variables.The initial values of composition are selected arbitrarily. On the basis of these reasons mentioned above White's method is chosen in our compu ter program.In the case of treating multiphase system, White's method developed by W.R.Smith is chosen to avoid the difficulty of numercial singularities when solving a set of linear equations. The paper introduced construction and principle of the program.The calculated results are conformed with the results that calculated by the database of Theoretical Metallurgical Institute of Rhein-isch Westfalische Techisvhe Hochschule Archen West Germany and the Inorganic Thermochemistry Database of the Institute of chemical Metallurgy Academia Sinica.
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