Calculation of multicomponent multiphase equilibria

✍ Scribed by P. Cavallotti; G. Celeri; B. Leonardis; L. Gardini

• Publisher: Elsevier Science
• Year: 1980
• Tongue: English
• Weight: 736 KB
• Volume: 35
• Category: Article
• ISSN: 0009-2509
• DOI: 10.1016/0009-2509(80)87007-2

✦ Synopsis

An algorithm which gives very good first trial values for the computation of chernlcal eqmhbnum composltron IS proposed It IS based on wrltmg the chemical reactions m "canomcal form" and changmg the Independent component set until It IS formed by the species present m greatest quantrty at equdtbrrum The advancement degrees & of the reactlons are calculated consdermg the reacttons to occur Independently of any other By applymg a slmdar procedure to the series reactor method, a new powerful solution algorithm of the Rosenbrook's type IS obtamed In the first method we hnearlze the eqmhbrmm equations wrttten makmg null the gradlent of the free energy of the system with respect to the correspondmg en whdst m the second one we make successive umdlmenslonal searches sofvmg the equations for &