Design, Simulation and Optimization of Adsorptive and Chromatographic Separations

Kevin R. Wood, Ph.D., has worked on industrial modeling projects, including biodiesel, CO2 capture, and xylene separation. These projects were collaborative efforts between Virginia Tech, Aspen Technology, and industrial partners. Y.A. Liu, Ph.D., has taught intensive training courses on computer-aided design, advanced process control, energy and water savings, and refinery and polymerization process modeling. Yueying Yu, Ph.D completed her doctoral dissertation on the simulation and comparison of operational modes in simulated moving bed (SMB) chromatography and gas-phase adsorptive separation.

SIMULATION OF ADSORPTION PROCESSES
Introduction to Gas-Phase Adsorption Technologies
Core Concepts in Gas Adsorptions
Isotherms
The Properties of Packed Beds
PSA and TSA Implementation Details
Introduction to Aspen Adsorption
PSA Workshop: Aspen Adsorption Modeling for Air Separation
PSA Workshop: Hydrogen Separation in Aspen Adsorption
PSA Workshop: Modeling Hydrogen Separation using GCSS
Conclusions
Practice Problems
Nomenclature
Further Reading

SIMULATION OF SMB CHROMATOGRAPHIC PROCESSES
Introduction to Chromatography
Introduction to SMB Chromatography
SMB Implementation Details
SMB Workshop: Simulate a 4-Zone SMB in Aspen Chromatography for the Separation of Tröger's Base Enantiomers
Tandem SMB Workshop: Simulate a Separation with Dual SMB Columns
Practice Problems
Further Reading

SHORTCUT DESIGN OF SMB SYSTEMS
General Concepts
Triangle Theory
Triangle Theory Workshop: Design of a System for the Separation of Amino Acids
Exercise 1: Calculating Transitions in a Fixed Bed using Mathematica
Standing Wave Design
Standing Wave Design Workshop: Calculating the Operating Conditions for an Ideal System
Standing Wave Design Workshop: Calculating the Operating Conditions for a System with Significant Mass Transfer Resistance
Conclusions

OPERATIONAL MODES OF SMB PROCESSES
Overview
Selection of Operational Modes
Varicol
Powerfeed
Modicon
Combined Modes
Parallel Two Zone
Conclusions
Practice Problems

PARAMETER ESTIMATION, REGRESSION & SENSITIVITY OF ADSORPTIVE AND CHROMATOGRAPHIC PROCESSES
Empirical Correlations for Physical Properties
Parameter Workshop: Regressing against Steady State Experiments
Parameter Workshop: Regressing against Dynamic Experiments
Xylene Parameter Regression
Conclusions
Practice Problems
Further Reading

LIST OF COMPUTER FILES
* WORKSHOP 1-7 (AIR SEPARATION)
* WORKSHOP 1-8 (SINGLE-BED H2)
* WORKSHOP 1-9 (DUAL-BED H2)
* WORKSHOP 2-4 (4-ZONE)
* WORKSHOP 2-5 (TANDEM INSULIN)
* WORKSHOP 4-X (OPERATIONAL MODES)
* WORKSHOP 5-X (PARAMETER REGRESSION)