Interval Methods for Reliable Computations of Phase Equilibrium From Equation of State Models

We have addressed the phase split problem with the Gibbs energy minimization approach. INTSTAB is first used to obtain all the stationary points. They provide extremely good initial estimates for the equilibrium phase compositions. An enhanced Han-Powell method for successive quadratic programming (SQP) is then used to perform a local minimization of Gibbs free energy to locate prospective global minima. INTSTAB is again used to verify if a global minimum has been reached. By combining the speed of this local SQP solver with the reliability of INTSTAB, we have developed an efficient and completely reliable approach for computing multi-phase equilibria. This method was implemented in the package INTFLASH.

Name thesis:degree_name

Ph.D.

Level thesis:degree_level

Dissertation

Discipline thesis:degree_discipline

Chemical Engineering

Grantor

University of Illinois at Urbana-Champaign

Year dc:date

2015

Author dc:creator

• Hua, James Zhengmao

Contributors dc:contributor

• Stadtherr, Mark A.

• Engineering, Chemical

Language dc:language

eng

Identifier

(MiAaPQ)AAI9812631

OAI identifier oai:identifier

oai:www.ideals.illinois.edu:2142/82441