Research Summary

1. Research Summary Seon Kim Laboratory of Product and Process Design University of Illinois at Chicago Sep. 2nd, 2010

2. Research Project • Objective (long term) • “Computational Design and Synthesis of Complex Distillation Networks” • Aims • Computer aided design of distillation process • Finding energy efficient distillation design • Motivation • Separations make up 40-70% of capital and operating costs of chemical manufacturing • Distillation accounts for more than 60% of the total process energy for the manufacture of commodity chemicals • Low-energy consuming separations stems from the increasing use in cheaper or alternative feedstock such as heavy crude oil, oil sand, or biomass.

3. Methodologies and Achievements • We developed rigorous method for computer-aided separation synthesis. • Novel thermodynamically motivated problem transformation: Temperature Collocation • Not fail in pinch regions • Independent of the number of components • Reducing search space to find feasible design • Mathematical algorithms for testing rigorously feasibility or infeasibility of any given separation task for ideal, non-ideal and azeotropic mixtures. • Providing complete solutions to the problem of synthesizing optimal fully heat integrated column configurations.

4. Basics of Distillation • Complex column • Distillation Process CondenserLiquefaction DistillateProduct Reflux liquid Rectifying or Enriching vapor stream by a liquid stream Feed Multiple Ps Complex Column(DWC) Multiple Fs and Ps Complex Column Multiple Fs Complex Column Stripping a liquid stream by vapor stream Liquiddownstream Vaporupstream F: Feed stream P: Product Stream Reboiler Vaporization BottomProduct Petlyuk Column Vapor-liquid Equilibrium: Raoult’s law

5. Simple Column Network VS Complex Column Network • Less harsh condition – prefractionating column • Heat integration in the complex column • Complex column configurations are expected to save energy up to 70%

6. Temperature Collocation • Temperature which is a thermodynamic property is independent variable • Temperature is monotonically increasing or decreasing in each column section (normally) • Temperature is bounded : from starting temperature to the pinch points Column Profile equation , ,

7. Pinch Point Solving Methods • Continuation Method • Hybrid Sequential Genetic Algorithm • Interval Newton • Deflation Method β : unstable point : saddle point : pinch point γ α

8. Design of Complex Column Distillation Process Column Configurations Composition Profiles

9. High-Dimensional Multicomponent

10. Bubble Point Distance A S1 AB S2 Temperature Temperature B S3 BC S4 C Feasible Design (r=2.36) (a) Infeasible Design (r=2.0) (b)

11. Minimum Distance Search Space

12. Biofuel Separation Process • Conventional extractive column (2nd column) • Feed (ethanol / water) • Entrainer (ethylene glycol) W/ entrainer W/O entrainer

13. Biofuel separation process • Thermally coupled extractive column (2nd column)

14. Summer semester report • Fully Automatic Energy Efficient complex Network Optimization (50%) • Optimization with GA and NLP solver • Consolidate each computation algorithm with main flowsheet base (DELPHI interface) • Biofuel separation literature research and simulation case study (100%) • Extractive conventional distillation column • Thermally coupled extractive distillation column • Petlyuk extractive column

15. Fall semester plan • Fully Automatic Energy Efficient complex Network Optimization (50%) • Optimization with GA and NLP solver • Consolidate each computation algorithm (DELPHI interface) • Documentation • Biofuel separation design • Desgin Case studies • Documentation

16. Literature review for Biofuel Separation

17. 2 Feeds & 2 Products Complex Column

18. Finding Optimal Feed Locations

19. Literature review 2 – optimal population size for GA

20. Finding Optimal Population Size • population sizing models • model of Goldberg, Deb and Clark (1996) • model of Harik et al. (1997)

21. Flowsheet code outline (09/1) DONE TESTING (%) Need to do