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Elemental composition method for computation and analysis of simultaneous chemical and phase equilibrium

✍ Scribed by Jinqing Lin; Haoran Li; Shijun Han


Book ID
105642860
Publisher
Springer
Year
2000
Tongue
English
Weight
333 KB
Volume
45
Category
Article
ISSN
1001-6538

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## Abstract We report the Newton–Raphson based globally convergent computational method for determination of chemical equilibrium composition. In the computation of chemical equilibrium composition, an appearance of nonpositive value of number of moles of any component leads to discrepancy. The pro

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m as having the largest activity coefficient rather than activity. But this alternative cannot be used with dilute solutes having high activity coefficients or vapor trial phases.In the region of a plait point, the phase-splitting algorithm predicts two similar trial phases and four iterations of th