Phase equilibrium calculation by using large-scale optimization technique

✍ Scribed by Weixin Song; Maurice A. Larson

• Publisher: Elsevier Science
• Year: 1991
• Tongue: English
• Weight: 962 KB
• Volume: 46
• Category: Article
• ISSN: 0009-2509
• DOI: 10.1016/0009-2509(91)80045-z

✦ Synopsis

A new multicomponent solid-liquid phase equilibrium calculation algorithm is described. The algorithm has the following features: (1) the phase selection procedure is easy (no stability test is needed); (2) the Gibbs phase rule is guaranteed; and (3) the mathematical procedures have thermodynamic meanings. Numerical examples for NaCl-KCI-MgCI,-CaCI,-H,O quinary system and its quaternary subsystems illustrate the capability of this algorithm. The comparison between this algorithm and the SQP (sequential quadratic programming) method for NaCI-KCI-MgCI,-H,O system at 298.15 K and 273.15 K demonstrates the advantage of the new algorithm over SQP method.