By David H. West and Gregory Yablonsky (Eds.)
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For this purpose a redundant graph of the process (complete mechanism) is constructed and the “unnecessary” branches are automatically excluded from the scheme during optimiza tion. In this case the constraints on the reaction rates (inequality (32)) are also taken into consideration. 5) is given in Figure 8. Preliminary analysis of the efficiency of using the flow MEIS to study mechanisms of chemical reactions (on the basis of the final equilibrium model only and without kinetic constraints) is described in the works by Gorban et al.
The fundamental Gibbs equations that describe behavior of open and closed systems for different cases of interaction with the environment are devised from the second law. And correspondingly numerous computing algorithms and systems (employing the equations) that were developed in the late 20th century to solve different problems of energy, chemical technology, metallurgy, cosmonautics, geology, ecology, and other spheres of science and technology satisfy it. From the viewpoint of our discussion it is worth noting that all these computing systems are based on the concepts of exactly equilibrium thermodynamics.
The entropy production caused by irreversible energy dissipa tion is, however, positive in any system. Here we have a complete analogy with the first law of thermodynamics. Energy is fully conserved only in the isolated systems. For the open systems the balance equalities include exchange components which can lead to the entropy reduction of these systems at its increase due to internal processes as well. ) and based in this analysis primarily on the second law. The fundamental Gibbs equations that describe behavior of open and closed systems for different cases of interaction with the environment are devised from the second law.