Homogeneous equilibrium composition by reaction set (K) : homogeneous_reaction_set_equilibrium.py
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python (free dist.)
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Run homogeneous_reaction_set_equilibrium.py:
python homogeneous_reaction_set_equilibrium.py
| Refs | VALUE |
|---|---|
| Eq. composition | * Smith, J.M., Van Ness, H.C. y Abbott, M.M. Introduction to Chemical Engineering Thermodynamics. 6th ed. McGraw-Hill NY, US 2001; * Computing multi-species chemical equilibrium with an algorithm based on the reaction extents; Paz-García, Johannesson, Ottosen, Ribeiro, Rodríguez-Maroto; Computers and Chemical Engineering 58 (2013) 135 – 143 |
| Non-linear algebraic system | Burden Richard L., Faires J. Douglas; Numerical Analysis; 9th ed. Brooks/Cole, Cengage Learning 2011. |
| LR = PDA factorization, Gauss elim. | Dahmen W., Reusken A.; Numerik fuer Ingenieure und Naturwissenschaeftler; Springer-Verlag Berlin Heidelberg 2006 S. 79. |