A methodology for solving chemical equilibrium systems (Q1821509)
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English | A methodology for solving chemical equilibrium systems |
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A methodology for solving chemical equilibrium systems (English)
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1987
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This paper describes a methodology for solving chemical equilibrium systems. The methodology is especially appropriate when many systems with the same structure must be solved quickly, as in finite-difference models of fluid flow and combustion. The approach features identifying a ''canonical form'' for such systems and exploiting this canonical form to effect a preliminary algebraic reduction. Then numerical scaling and iterative solution techniques are evoked. Both homotopy continuation and a variant of Newton's method are effective solution methods. This methodology is a significant advance over previous approaches to solving chemical equilibrium systems. The problem of solving such systems has heretofore been regarded as challenging; solution techniques have tended to emphasize case-by-case analyses and hit-or-miss numerical methods. We show that the problem can be solved by a unified approach, quickly and reliably.
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chemical equilibrium systems
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canonical form
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homotopy continuation
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Newton's method
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