Timko, Michael T.
This MQP attempts to model the separation of a proposed continuous liquid-liquid extraction process of n-butanol using an experimental strain of carbon dioxide tolerant bacteria. This water-scCO2-butanol ternary system model evaluation was simulated using Aspen Plus and the fugacity coefficients for two of the methods were calculated in MATLAB software. After some initial difficulties, this report determines that none of the mixing rules native to Aspen Plus v8.2 are adequate to model the ternary system and the standard Peng-Robinson method for a pure species fails to model the nuances of a ternary mixture. Future research would benefit from assistance from someone experienced with Fortran to modify Aspen mixing rules or MATLAB when evaluating an equation of state's fugacity coefficients.
Worcester Polytechnic Institute
Major Qualifying Project
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