Virginia Tech: Invent the Future Department of Chemical Engineering


  Y. A. Liu


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Water Design Software
Hydrogen Pinch Made Easy
VT Sigma Profile Database
Biodiesel Modeling

 

Selected Publications



A breakthrough in developing a process for capturing CO2 from power plant flue gas that consumes the least solvent regeneration energy (1.67 GJoule/tonne CO2 captured) yet reported in the literature and patents (International patent application filed by Virginia Tech):

For reference, please see:
Stuart J. Higgins and Y. A. Liu, "CO2 Capture Modeling, Energy savings, and Heat Pump Integration", Industrial and Engineering Chemistry Research, 54 (9), pp.2526-2553 (2015).




Our new book, Refinery Engineering: Integrated Process Modeling and Optimization, Wiley-VCH (2012), is the first published textbook on the subject.



This textbook is a comprehensive guide to predictive modeling of integrated refinery reaction and fractionation systems for process optimization and production planning. It is the fifth pioneering textbook that Professor Liu's doctoral students have written with him, based on their dissertation work, which is a truly unique and significant achievement. This textbook has received excellent reviews and strong endorsements by top industrial practitioner and academic expert in petroleum refining and process optimization:
"In this very competitive global industry, it is critical to minimize overall operating costs while achieving the maximum possible "upgrade" for each hydrocarbon molecule (called "molecule management"). This process requires complex computer modeling to help select feedstocks and product slates and troubleshoot and optimize the performance of individual refinery processes (e.g. distillation units, fluidized catalytic cracking units). And eventually, all of these individual parts have to be pulled together to feed a linear program (LP) model capable of optimizing the overall refinery. This complex modeling is the subject of this book by Ai-Fu Chang, Kiran Pashikanti and Y. A. Liu. Based on my review, I believe this book provides a solid introduction to integrated refinery process modeling and optimization, using the tools and techniques currently employed in modern refineries. This book and associated coursework would be a highly desirable investment by any engineering student considering a career in petroleum refining."
-Steven R. Cope
ExxonMobil manager of Baytown refinery, the largest refinery in North and South America


"This book by Professor Liu and his colleagues represents a major advance in enabling engineers who are not experts to develop and use state-of-the-art computer models for the simulation and optimization of integrated refinery reaction and fractionation processes.
One of the strengths of the book is that it doesn't stop with theory, or even case study examples and hands-on workshops. It covers very practical problems: how to work with real data, how to construct the right level of detail for the problem and the data available, and how to tune the model to actual plant data. Individuals who want to contribute to the development of refinery process modeling or explore new directions will find the extensive review of existing work valuable. This book will also be valuable to industrial practitioners and to academic chemical engineers by exposing them to refinery process modeling and optimization and enabling them to solve realistic problems. The book takes this work from a technology used mostly by experts to a tool that refinery engineers can use in their everyday work."
-Lawrence B. Evans
Professor Emeritus of Chemical Engineering, MIT; Founder, Aspen Technology, Inc.; Member, National Academy of Engineering; Past President, American Institute of Chemical Engineers


Table of Contents

     

A. Intelligent Systems for Process Synthesis - Artificial Intelligence and Neural Networks

  1. Pioneering Textbooks and Published Reviews: Artificial Intelligence and Neural Networks in Bioprocessing and Chemical Engineering, #A1 and #A2
  2. Technical Papers on Intelligence Systems for Process Synthesis - Artificial Intelligence and Neural Networks, #A3 to #A20

B. Pinch Technology for Saving Energy, Water and Hydrogen

  1. Pioneering Textbook and Published Reviews: Water-Pinch Technology, Mathematical Optimization Technique and Water-Saving Project Methodology, #B1
  2. Review Monograph on Process Design and Published Review, #B2
  3. Technical Papers on Saving Energy, Water and Hydrogen: Pinch Technology for Heat Exchanger Networks, Water-System Optimization and Hydrogen-Resource Optimization, #B3 to #B11
C. Industrial Polymerization Process Modeling and Product Design
  1. Pioneering Textbook and Published Reviews: Industrial Polymerization Process Modeling and Product Design, #C1
  2. Book Chapter on Industrial Polymerization Process Modeling and Product Design, #C2
  3. Technical Papers on Industrial Polymerization Modeling and Product Design of Commercial Polymer Manufacturing, #C3 to #C11
D. Integrated Refinery Process Modeling and Optimization
  1. Pioneering Textbook and Published Review: Refinery Engineering-Integrated Process Modeling and Optimization, #D1
  2. Technical Papers on Integrated Process Modeling and Production Planning of Refinery Reaction and Fractionation Systems from Plant Data, #D2 to #D7
E. Integrated Process Modeling and Product Design of Biodiesel Manufacturing, #E1 to #E3.
F. Making Molecular Simulation Results Based on Quantum Mechanics ("VT Sigma Profile Databases") Readily Applicable to Practicing Engineers to Predict Thermophysical Properties for Process and Product Design, #F1 to #F2.

G. Magnetochemical Engineering: Novel Magnetic Separation and Magnetofluidized Beds

  1. Book: Industrial Applications of Magnetic Separation, #G1
  2. Technical Papers on Novel Magnetic Separation and Magnetofluidized Beds, #G2 to #G14
H. New Physical Methods for Cleaning Coal and Superconducting Magnetic Separation
  1. Book: New Physical Methods for Cleaning Coal, #H1
  2. Patent: Novel Magnetofluidized Beds for Cleaning Dry Pulverized Coal, #H2
  3. Technical Papers on New Physical Methods for Cleaning Coal and Superconducting Magnetic Separation, #H3 to #H17
I. Novel Fluidized Beds for Heat Recovery and Reaction Applications, #I1 to #I10



A. Intelligent Systems for Process Synthesis - Artificial Intelligence and Neural Networks


1. Pioneering Textbooks and Published Reviews: Artificial Intelligence and Neural Networks in Bioprocessing and Chemical Engineering
  A1. Thomas E. Quantrille and Y. A. Liu, Artificial Intelligence in Chemical Engineering, 609 pages, Academic Press, San Diego, CA, (1991). Chinese edition translated by the Process System Engineering Society of China and published by the China Petrochemical Press, Beijing (1994).

Note: Chemical Engineering, the most popular monthly magazine for practicing chemical engineers, gives the following review comments in its May 1992 issue :
"At long last, here is a comprehensive, yet very readable, exposition of the emerging science of artificial intelligence (AI) as it relates to the practice of chemical engineering. This book is a must reading for any serious student of AI in the chemical process industries.
This book belongs to a class by itself in providing a thorough coverage of the fundamentals of AI, and illustrating their applications with concrete examples from the CPI. Above all, it is a pleasure to read, unlike, alas, most other books on this fascinating subject."
An equally positive published review appears in the December 1992 issue of the AIChE Journal.
  A2. D. Richard Baughman and Y. A. Liu, Neural Networks in Bioprocessing and Chemical Engineering, 488 pages, Academic Press, Inc., San Diego, CA, in 1995.


Note: IIE Transactions, the leading journal in industrial and system engineering, gives the following review comments in its September 1997 issue:
"This book introduces the basic concepts and practice of neural networks, emphasizing their applications in the bioprocessing and chemical engineering fields. The authors have developed an excellent, well researched text that links the theory and practice of neural network modeling. The book is timely and presents a well-organized treatment of this emerging research area..."
In summary, this is an excellent introductory text on neural networks for use in bioprocessing and chemical engineering applications. The book could be used in either a senior undergraduate or graduate engineering course. The authors have blended theory and practice to create a very useful text that offers ideas for future research, yet also can be used in a pragmatic way to design neural networks. This is one of the best books that I have read on the topic of neural computing in engineering."

2. Technical Papers on Intelligence Systems for Process Synthesis: Artificial Intelligence and Neural Networks
  A3. N. Nishida, Y. A. Liu and A. Ichikawa, "Studies in Chemical Process Design and Synthesis: I. Optimal Synthesis of Dynamic Process Systems," Microfiche No. 4 (Paper No. 57d), AIChE National Meeting, Boston, MA, September (1975).
  A4. N. Nishida, Y. A. Liu and A. Ichikawa, Studies in Chemical Process Design and Synthesis: II. Optimal Synthesis of Dynamic Process Systems with Uncertainty," AIChE Journal, 22, 539-549 (1976).
  A5. N. Nishida, Y. A. Liu and Leon Lapidus, "Studies in Chemical Process Design and Synthesis: III. A Simple and Practical Approach to the Optimal Synthesis of Heat Exchanger Networks", AIChE Journal, 23, 79-93 (1977).
  A6. Y. A. Liu, D. C. Williams, N. Nishida and Leon Lapidus, "Studies in Chemical Process Design and Synthesis: IV. Optimal Synthesis of Process Systems with Vector-Valued or Multiple Performance Indices," preprint, AIChE National Meeting, Atlantic City, NJ, September (1976). A6.
  A7. Y. A. Liu, "A Course in Process Synthesis," Chemical Engineering Education, invited paper, Vol. IX, No. 4, pp. 184-186 and 212-215, Fall (1980).
  A8. Y. A. Liu and D. C. Williams, "Optimal Synthesis of Heat-Integrated Multicomponent Separation Systems and Their Control Configuration," Proceedings of the 1981 Summer Computer Simulation Conference, pp. 238-246, Washington, D.C., Instrument Society of America, July (1981).
  A9. Y. A. Liu and D. C. Williams, "Optimal Synthesis of Heat-Integrated Multicomponent Separation Systems and Their Control Configuration," Proceedings of the 1981 Summer Computer Simulation Conference, pp. 238-246, Washington, D.C., Instrument Society of America, July (1981).
  A10. Y. A. Liu and W. J. Wepfer, "Second Law Analysis of Processes: A Bibliography," ACS Symp. Series, No. 235, Efficiency and Costing: Second Law Analysis of Processes, Edited by Richard A. Gaggioli, pp. 415-446 (1983).
  A11. V. M. Nadgir and Y. A. Liu, "Studies in Chemical Process Design and Synthesis: V. A Simple Heuristic Method for Systematic Synthesis of Initial Sequences of Multicomponent Initial Sequences of Multicomponent Separations," AIChE Journal, 29, 926-934 (1983).
  A12. F. A. Pehler and Y. A. Liu, "Studies in Chemical Process Design and Synthesis: VI. A Thermoeconomic Approach to the Evolutionary Synthesis of Heat Exchanger Networks", Chem. Eng. Comm., 25, 295- 310 (1984).
  A13. Studies in Chemical Process Design and Synthesis. VII. Systematic Synthesis of Multipass Heat Exchanger Networks", AIChE Journal, 31, 487-491 (1985).
  A14. S. H. Cheng and Y. A. Liu, "Studies in Chemical Process Design and Synthesis: Part 8. A Simple Heuristic Method for the Synthesis of Initial Sequences for Sloppy Multicomponent Separations," Ind. Eng. Chem. Research, 27, 2304-2322 (1988).
  A15. Y. A. Liu, T. E. Quantrille and S. H. Cheng, "Studies in Chemical Process Design and Synthesis: Part 9. A Unifying Framework for Multicomponent Separation Sequencing with Sloppy Product Streams," Ind. Eng. Chem. Research, 29, 2229-2241 (1990).
  A16. Gert-Jan A. F. Fien and Y. A. Liu, "Heuristic Synthesis and Shortcut Design of Separation Processes Using Residue Curve Map: A Review," invited paper, Ind. Eng. Chem. Research, 33, 2505-2522 (1994).
  A17. J. C. Brunet and Y. A. Liu, "Studies in Chemical Process Design and Synthesis: 10. EXSEP--An Expert System for Solvent-Based Separation Process Synthesis," Ind. Eng. Chem. Research, 32, 315-334 (1993).
  A18. D. R. Baughman and Y. A. Liu, "An Expert Network for Predictive Modeling and Optimal Design of Extractive Bioseparations in Aqueous Two-Phase Systems," Ind. Eng. Chem. Research, 33, 2668-2687 A18
  A19. C. Han, George Stephanopoulos, and Y. A. Liu, "Knowledge-Based Process Synthesis," invited paper, First International Conference on Intelligent Systems in Process Engineering, Snowmass, CO, July (1995); AIChE Symposium Series, 92, No. 312, 148-159 (1996).
  A20. K. Al-Shayji and Y. A. Liu, "Neural Networks for Predictive Modeling and Optimization of Large-Scale Commercial Desalination Plants", Proceedings of IDA World Congress on Desalination and Water Reuse, International Desalination Association, Topsfield, MA (1997).
  A21. K. Al-Shayji and Y. A. Liu, "Predictive Modeling of Large-Scale Commercial Water Desalination Plants: Data-Based Neural Network and Model-Based Process Simulation", Ind. Eng. Chem. Research, 41, 6460-6474 (2002).

B. Pinch Technology for Saving Energy, Water and Hydrogen



1. Pioneering Textbooks and Published Reviews: Artificial Intelligence and Neural Networks in Bioprocessing and Chemical Engineering
  B1. James G. Mann and Y. A. Liu, Industrial Water Reuse and Wastewater Minimization. 524 pages, McGraw-Hill, New York (1999); Chinese edition published by China Petrochemical Press, Beijing (2001).

Note: George E. Keller and Paul. F. Bryan, "Process Engineering Moving in New Directions", Chemical Engineering Progress, pp. 41-50, January issue (2000), gives the following review comments:
"An extremely important aspect of process design for overall waste minimization is water reuse and wastewater minimization. A new book, Mann and Liu (1999), covers this area very well, and gives many industrial examples. It includes recent work on the water-pinch technology (which is akin to heat-exchanger network technology) for determining the absolute minimum amount of fresh-water makeup to a process. Application of the methods described in this book potentially can cut both the overall investment and operating cost of a process, as well as reduce fresh-water usage. In the future, the approach described here should become a key element in any comprehensive process-design effort".


2. Review Monograph on Process Design and Published Review
  B2. Y. A. Liu, Henry A. McGee, Jr. and W. Robert Epperly, editors, Recent Developments in Chemical Process and Plant Design, 509 pages (with Chapter 6, pages 147 to 260, written by Liu himself), Wiley, New York, New York, 1987.


Note: Chemical Engineering Science, a top scholarly journal in chemical engineering, gives the following review comments of this book in its October 1988 issue:
"This excellently produced volume ....

The presentation of this text is excellent....

The aims of providing both an introduction to important developments in process plant design and a "state-of-the-art" survey are achieved in a most impressive way....

This book represents a massive step forward in this important and expanding area ...."



2. Technical Papers on Intelligence Systems for Process Synthesis: Artificial Intelligence and Neural Networks
  B3. N. Nishida, Y. A. Liu and Leon Lapidus, "Studies in Chemical Process Design and Synthesis: III. A Simple and Practical Approach to the Optimal Synthesis of Heat Exchanger Networks," AIChE Journal, 23, 77-93 (1977).
  B4. Y. A. Liu, "A Practical Approach to the Multiobjective Synthesis and Optimizing Control of Resilient Heat Exchanger Networks," Proceedings of the American Control Conference, Volume 3, pp. 1115-1126, Arlington, VA, Institute of Electrical and Electronic Engineers, Inc., New York, June (1982).
  B5. F. A. Pehler and Y. A. Liu, "Thermodynamic Availability Analysis in the Synthesis of Optimum-Energy and Minimum-Cost Heat Exchanger Networks," ACS Symp. Series, No. 235, Efficiency and Costing: Second Law Analysis of Processes, Edited by Richard A. Gaggioli, pp. 161-178 (1983).
  B6. F. A. Pehler and Y. A. Liu, "Studies in Chemical Process Design and Synthesis: Part VI. A Thermoeconomic Approach to the Evolutionary Synthesis of Heat Exchanger Networks," Chem. Eng. Commu., 25, 295-310 (1984).
  B7. Y. A. Liu, F. A. Pehler and D. R. Cahela, "Studies in Chemical Process Design and Synthesis: Part VII. Systematic Synthesis of Multipass Heat Exchanger Networks," AIChE Journal, 31, 487-491 (1985).
  B8. Y A. Liu and J. G. Mann, "An Effective Engineering Approach to Wastewater Minimization in Multiple-Contaminant Systems with Applications to a Petrochemical Industry Complex in the Asia Pacific", invited paper, Second Joint Chemical Industry and Engineering Society of China (CIESC)/American Institute of Chemical Engineers (AIChE) Conference, Beijing, China, May (1997).
  B9 Y. A. Liu, B. Lucas and J. G. Mann, "Up-to-date Tools of Water-System Optimization" Invited featured cover story, Chemical Engineering Magazine, 111, No. 1, pp. 30-41 (2004).

(See the public website for the free Water Design software: http://www.design.che.vt.edu/waterdesign/waterdesign.html)

  B10. Y. A. Liu, "Water-Saving Strategies for the CPI", Invited featured cover story, Chemical Engineering Magazine, 119, No. 5, pp. 34-41 (2012).

  B11. April Nelson and Y. A. Liu, "Hydrogen Pinch Made Easy" Chemical Engineering Magazine, 115, pp. 56-61, No. 6, June (2008).

(See the public website for the free hydrogen pinch analysis spreadsheet: http://www.design.che.vt.edu/h2pinch/h2pinch.html)


C. Industrial Polymerization Process Modeling and Product Design



1. Pioneering Textbook and Published Review:
  C1. Kevin C. Seavey and Y. A. Liu,. 712 pages, Wiley, New York (2008)

Note: Peer reviewed comments by top polymer experts in academia and industry:

"Represents a major advance in filling the gap between the simplistic treatment in the usual textbooks and industrial processes for making the polymer products. Most importantly, the theme of the book is to show the inseparable relationship between the process and the product. This book will be a valuable asset to the industrial practitioner and to the academic chemical community"
-Donald R. Paul
Editor-in-Chief,Industrial and Engineering Chemistry Research
American Chemical Society
Recipient of ACS national award in applied polymer science

"Is highly recommended for process engineers who are developing new step-growth polymerization processes in the area of polyesters, polyamides, polycarbonates, polyimides, polysulfones, etc. It will likely contribute to an essentially one-stop shopping site for interested engineers and scientists who wish to broaden their perspective from chemistry and reaction mechanisms to the practical, but terribly important, process modeling considerations."
-James E. McGrath
Recipient of ACS national awards in polymer science and applied polymer science; University Distinguished Professor, Virginia Tech

"Addresses the modeling complexities systematically. Complete production systems are described, which makes the achievement more remarkable and the text much more useful. By contrast, the open scientific literature is dedicated to a very narrow improvements of prediction without a complete view of the entire polymerization train. This text illustrates how we may distil our knowledge of the polymerization fundamentals down to a working model that accurately represents industrial practice. As new polymers advance from laboratory bench-top to commercial success, the same lessons will be repeated. This text illustrates how that can be done successfully."
-Thomas N. Williams, Jr.
Senior Technical Manager, Honeywell Specialty Materials

"Captures well fundamental aspects of modeling step-growth polymerization processes and offers illustrative examples of how to approach modeling of real-life industrial polymerization systems. I want to take this opportunity to thank the authors for making this extraordinary effort to share their learning, and to congratulate them for their superb accomplishments and contributions to further advancing the practice of polymer process modeling and simulation."
-Chau-Chyun Chen
Vice President of Technology, Aspen Technology, Inc.
Patent inventor and developer of polymer process simulation software, Polymers Plus.


2. Book Chapter on Industrial Polymerization Process Modeling and Product Design

  C2. Kevin C. Seavey and Y. A. Liu, "Fundamental Process Modeling and Product Design for the Solid-State Polymerization of Polyamide-6 and Poly(ethylene Terephthalate)", Chapter 7, pp. 199 to 232, in Solid-State Polymerization, Constantine D. Papaspyrides and Stamatina N. Vouyiouka,editors, Wiley, New York (2009).

3. Technical Papers on Integrated Process Modeling and Product Design of Commercial Polymer Manufacturing

  C3. Rui Yan, Xianwen Xu, Jay Khare, Y. A. Lu, Chau-Chyun Chen, "Modeling of a Commercial Slurry HDPE Process Using Polymers Plus",Proceedings of AspenWorld China 2000, Beijing, China, July (2000).
  C4. N. P. Khare, K. C. Seavey, Y. A. Liu, S. Ramanathan, S. Lingard, and C. C. Chen, "Steady-State and Dynamic Modeling of Commercial Slurry High-Density Polyethylene (HDPE) Processes,"Ind. Eng. Chem. Research,41, 5601-5618 (2002).
  C5. Y. A. Liu, "Melt Index Prediction from Molecular Weight Distribution", invited paper,AspenWorld 2002, Washington, D. C., October (2002).
  C6. K. C. Seavey, N. P. Khare, Y. A. Liu, T. N. Williams, and C. C. Chen, "A New Phase-Equilibrium Model for Simulating Industrial Nylon-6 Production Trains".Ind. Eng. Chem. Research,42, 3900-3913 (2003).
  C7. K. C. Seavey, N. P. Khare, Y. A. Liu, T. Bremner and C. C. Chen, "Quantifying Relationships among the Molecular Weight Distribution, Non-Newtonian Shear Viscosity and Melt Index for Linear Polymers".Ind. Eng. Chem. Research,42, 5354-5362 (2003).
  C8. Neeraj P. Khare, Bruce Lucas, Kevin C. Seavey, Y. A. Liu, Ashuraj Sirohi, Sundaram Ramanathan, Simon Lingard, Yuhua Song, and Chau-Chyun Chen, "Steady-State and Dynamic Modeling of Gas-Phase Polypropylene Processes Using Stirred-Bed Reactors", Ind. Eng. Chem. Research, 43, 884-900 (2004).
  C9. Kevin C. Seavey, Y. A. Liu, Bruce Lucas, Neeraj P. Khare, Tom Lee, Jason Pettrey, Thomas N. Williams, John Mattson, Earl Schoenborn, Charles Larkin and Chau-Chyun Chen, " New Mass-Transfer Model for Simulating Industrial Nylon-6 Production Trains",Ind. Eng. Chem. Research,43,5063-5076 (2004).
  C10. Bruce Lucas, Kevin C. Seavey, and Y.A. Liu, "Steady-State and Dynamic Modeling for New Product Design for the Solid-State Polymerization of Poly(Ethylene Terephthalate),"Ind. Eng. Chem. Research,46, 190-202 (2007).

D. Integrated Refinery Process Modeling and Optimization



1. Pioneering Textbook and Published Review:

  D1. Ai-Fu Chang, Kiran Pashikanti and Y. A. Liu,Refinery Engineering: Integrated Process Modeling and Optimization, Wiley-VCH, 500 pages, Weinheim, Germany (2012).

Note: Peer reviewed comments by top industrial practitioner and academic expert in petroleum refining and process optimization:

"In this very competitive global industry, it is critical to minimize overall operating costs while achieving the maximum possible "upgrade" for each hydrocarbon molecule (called "molecule management"). This process requires complex computer modeling to help select feedstocks and product slates and troubleshoot and optimize the performance of individual refinery processes (e.g. distillation units, fluidized catalytic cracking units). And eventually, all of these individual parts have to be pulled together to feed a linear program (LP) model capable of optimizing the overall refinery. This complex modeling is the subject of this book by Ai-Fu Chang, Kiran Pashikanti and Y. A. Liu.

Based on my review, I believe this book provides a solid introduction to integrated refinery process modeling and optimization, using the tools and techniques currently employed in modern refineries. This book and associated coursework would be a highly desirable investment by any engineering student considering a career in petroleum refining.
Steven R. Cope
ExxonMobil manager of Baytown refinery the largest refinery in North and South America


"This book by Professor Liu and his colleagues represents a major advance in enabling engineers who are not experts to develop and use state-of-the-art computer models for the simulation and optimization of integrated refinery reaction and fractionation processes.

One of the strengths of the book is that it doesn't stop with theory, or even case study examples and hands-on workshops. It covers very practical problems: how to work with real data, how to construct the right level of detail for the problem and the data available, and how to tune the model to actual plant data. Individuals who want to contribute to the development of refinery process modeling or explore new directions will find the extensive review of existing work valuable. This book will also be valuable to industrial practitioners and to academic chemical engineers by exposing them to refinery process modeling and optimization and enabling them to solve realistic problems. The book takes this work from a technology used mostly by experts to a tool that refinery engineers can use in their everyday work."
Lawrence B. Evans
Professor Emeritus of Chemical Engineering, MIT; Founder, Aspen Technology, Inc.; Member, National Academy of Engineering; Past President, American Institute of Chemical Engineers


2. Technical Papers on Integrated Process Modeling and Production Planning of Refinery Reaction and Fractionation Systems from Plant Data

  D2. Kiran Pashikanti and Y. A. Liu, "Refinery Planning with an Integrated Model for Fluid Catalytic Cracking (FCC)." Invited paper,AspenONE 2010. Aspen Tech User Group Meeting,. Boston, MA, May (2010).
  D3. Kiran Pashikanti and Y. A. Liu, "Optimize Refinery Performance to Improve Yields, Predictability, and Profitability", Invited ApsenONE Webinar. November 30 (2010).
  D4. Ai-Fu Chang and Y. A. Liu, "Predictive Modeling of Large-Scale Refinery Reaction and Fractionation Systems from Plant Data: Part 1. Hydrocracking Processes", Energy and Fuels, 25, 5264-5297 (2011).
  D5. Kiran Pashikanti and Y. A. Liu, "Predictive Modeling of Large-Scale Refinery Reaction and Fractionation Systems from Plant Data: Part 2. Fluid Catalytic Cracking (FCC) Processes" Energy and Fuels, 25, 5298-5319 (2011).
  D6. Kiran Pashikanti and Y. A. Liu, "Predictive Modeling of Large-Scale Refinery Reaction and Fractionation Systems from Plant Data: Part 3. Continuous Catalyst Regeneration (CCR) Reforming Process" Energy and Fuels, 25, 5320-5344 (2011).
  D7. Kiran Pashikanti and Y. A. Liu, "Predictive Modeling of Large-Scale Integrated Refinery Reaction and Fractionation Systems from Plant Data: Catalytic Reforming Processes". Invited paper, AspenTech 2011 Global Conference, Washington, DC, May 24 (2011).

E. Integrated Process Modeling and Product Design of Biodiesel Manufacturing


  E1. Ai-Fu Chang and Y. A. Liu, "Integrated Process Modeling and Product Design of Biodiesel Manufacturing",Invited 100th Anniversary Article,Ind. Eng. Chem. Research,49, 1197-1213 (2010).
Note: Dr. Donald R. Paul, Editor-in-Chief of the top scholarly journal, Industrial and Engineering Chemistry Research, considered this work highly significant to industrial practice, designated the paper as one of the 20 invited papers (out of 2500 papers published in 2008 to 2009) to commemorate the 100th anniversary of the journal, and accented with a red banner, "100th anniversary article":


  E2. Yung-Chieh Su, Y. A. Liu, Carlos Axel Diaz Tovar and Rafiqul Gani, "Selection of Prediction Methods for Thermophysical Properties for Process Modeling and Product Design of Biodiesel Manufacturing", Ind. Eng. Chem. Research, 50, 6809-6836 (2011).
  E3. Roberta Ceriani, Rafiqul Gani, and Y.A. Liu, "Prediction of Vapor Pressure and Heats of Vaporization of Organic Compounds by Group Contribution", Fluid-Phase Equilibria, 337, 53-59 (2013).

F. Making Molecular Simulation Results Based on Quantum Mechanics ("VT Sigma Profile Databases") Readily Applicable to Practicing Engineers to Predict Thermophysical Properties for Process and Product Design



  F1. Eric Mullins, Richard J. Oldland, Y. A. Liu, Shu Wang, Stanley I. Sandler, Chau- Chyun Chen, Michael Zwolak, and Kevin Seavey, "Sigma-Profile Database and Application Guidelines for COSMO-Based Thermodynamic Models",Ind. Eng. Chem. Research,45, 3973-3999 (2006).
  F2. Eric Mullins, Y.A. Liu, Adel Ghaderi, Stephen D. Fast, "Sigma Profile Database for Predicting Solid Solubility in Pure and Mixed Solvent Mixtures for Organic Pharmacological Compounds with COSMO-Based Thermodynamic Methods",Ind. Eng. Chem. Research,47, 1707-1725(2008).

(See the public website for the free sigma profile databases: http://www.design.che.vt.edu/VT-Databases.html)

Note: Commenting on the significance of papers F1 and F2 to industrial practice, Dr. Donald R. Paul, Editor-in-Chief of Industrial and Engineering Chemistry Research, wrote the following to Professor John Walz on January 6, 2009:
"Over the past few years, a computational method based on quantum mechanics, known by the acronym, COSMO, has captured great attention and interest by the chemical engineering community as it affords a way to predict properties of pure components and mixtures knowing just the molecular structure of the components involved. Many of the papers lack the detail and background for making this work truly useful to the chemical engineering community and in particular for industrial practitioners. Y. A. and his colleagues have written papers, published in the journal I edit, that overcome this significant limitation. It takes a person with the interest of Y. A. to make such an esoteric concept as quantum mechanics useful to practicing engineers".

G. Magnetochemical Engineering: Novel Magnetic Separation and Magnetofluidized Beds



1. Books: Novel Magnetic Separation

  G1. Y. A. Liu, editor, Industrial Applications of Magnetic Separation, 209 pages, IEEE Publication No. 78CH1447-2 MAG, Institute of Electrical and Electronic Engineers, Inc., New York, April, 1979.


  G2. Y. A. Liu, editor, IEEE Transactions on Magnetics, Special issue on magnetic separation, 146 pages, published by the Institute of Electrical and Electronic Engineers, the Institute of Electrical and Electronic Engineers, Inc., New York, September, 1976.

2. Technical Papers on Novel Magnetic Separation and Magnetofluidized Beds

  G3. Y. A. Liu, C. J. Lin, D. L. Vives, M. J. Oaks and G. E. Crow, "Theory and Applications of High-Gradient Magnetic Separation: A Review," Invited paper,Digest of the International Magnetics Conference, Los Angeles, CA, June (1977).
  G4. Y. A. Liu and C. J. Lin, "Research Needs and Opportunities in High-Gradient Magnetic Separation of Particulate-Gas Systems," Invited paper,Proceedings of National Science Foundation-Environmental Protection Agency Research Workshop on Novel Concepts, Methods and Advanced Technology in Particulate-Gas Separation, University of Notre Dame Press, Notre Dame, Indiana, April (1977); EPA Publication No. EPA-600/7-78-170, pp. 170-179 (1978).
  G5. Y. A. Liu, "Process Design and Development in High-Gradient Magnetic Separation," Invited paper,Engineering Foundation Conference on Magnetic Separation, Rindge, NH, July/August (1978).
  G6. Y. A. Liu and G. E. Crow, "Studies in Magnetochemical Engineering: Part 1. A Pilot-Scale Study of High-Gradient Magnetic Desulfurization of Solvent-Refined Coal,"Fuel,58, 345-353 (1979).
  G7. R. D. Colberg and Y. A. Liu, "Fundamental Studies of Magnetofluidized Beds for Particle-Gas and Particle-Particle Separation,"Digest of the INTERMAG Conference, Publication No. 83CH1895-2, p. BA-3, Institute of Electrical and Electronic Engineers, Inc., New York (1983).
  G8. Y. A. Liu and M. J. Oak, "Studies in Magnetochemical Engineering: Part 2. Theoretical Development of a Practical Model for High-Gradient Magnetic Separation,"AIChE Journal,29, 771-779 (1983).
  G9. Y. A. Liu and M. J. Oak, "Studies in Magnetochemical Engineering. Part 3. Experimental Applications of a Practical Model for High-Gradient Magnetic Separation to Pilot-Scale Coal Beneficiation,"AIChE Journal,29, 780-789 (1983).
  G10. R. Keith Hamby and Y. A. Liu, "Fundamental Studies of Packed Magnetofluidized Beds for Particle-Gas and Particle-Particle Separations," Digest of the INTERMAG Conference, Publication No. 85CH2180-8, p. AD-8, Institute of Electrical and Electronic Engineers, Inc., New York (1985).
  G11. Y. A. Liu, R. G. Wagner, F. A. Pehler and T. H. McCord, "Studies in Magnetochemical Engineering: Part 4. A Fluidized-Bed Superconducting Magnetic Separation Process for Dry Coal Desulfurization,"Powder Technology,56, 259-277 (1988).
  G12. Richard D. Colberg and Y. A. Liu, "Studies in Magnetochemical Engineering. Part 5. An Experimental Study of Fluidized Beds with Screen Packing and Applied Magnetic Field," Powder Technology, 56, 279-292 (1988).
  G13. Y. A. Liu, R. Keith Hamby and Richard D. Colberg, "Fundamental and Practical Developments of Magnetofluidized Beds: A Review," Invited paper, special issue on "magnetized-fluidized beds," Powder Technology, 64, 3-41 (1991).
  G14. R. Keith Hamby and Y. A. Liu, "Studies in Magnetochemical Engineering: Part 6. An Experimental Study of Screen-Packed and Conventional Fluidized Beds in Axial and Transverse Magnetic Fields," Invited paper, special issue on "magnetized-fluidized beds," Powder Technology, 64, 103-113 (1991).

H. New Physical Methods for Cleaning Coal and Superconducting Magnetic Separation



1.Books:New Physical Methods for Cleaning Coal
  H1. Y. A. Liu, editor, Physical Cleaning of Coal: Present and Developing Methods, 552 pages (with Chapter 4, pages 133 to 254 written by Liu himself), Marcel Dekker, Inc., New York, July, 1982. Chinese edition translated and published by the Ministry of Coal Industry, Beijing, People's Republic of China, 1985.

Note: The following review comments appear in the international journal, Coal Preparation, in January 1986:
"This book is a valuable new edition to those few, all too limited modern texts which deal with the preparation of coal ...
It will undoubtly prove to be an important reference book for those scientists, engineers, and students who have a particular interest in this emerging and important area of coal preparation ..."

2. Patent: Novel Magnetofluidized Beds for Cleaning Dry Pulverized Coal

  H2. D. M. Eissenberg and Y. A. Liu, "High Gradient Magnetic Beneficiation of Dry Pulverized Coal via Upwardly Directed Recirculating Fluidization," U.S. patent no. 4,212,551, July 15, 1980. Note: This patent was invented in collaboration with the Oak Ridge National Laboratory (ORNL). Key claims in this patent have guided the successful development and demonstration of a continuous magnetic separation process for desulfurization of selectively sized powdered coal at ORNL during 1978 and 1980. Industrial Research recognized the latter development as one of its IR100 invention awards in 1981.

3. Technical Papers on New Physical Methods for Cleaning Coal and Superconducting Magnetic Separation

  H3. C. J. Lin, Y. A. Liu, D. L. Vives, M. J. Oak, G. E. Crow and E. L. Huffman, "Pilot-Scale Studies of Sulfur and Ash Removal from Coals by High Gradient Magnetic Separation," IEEE Transactions on Magnetics, MAG-12, 513-521 (1976).
  H4. Y. A. Liu and C. J. Lin, "Assessment of Sulfur and Ash Removal from Coals by Magnetic Separation,"IEEE Transactions on Magnetics,MAG-12, 538-550 (1976).
  H5. Y. A. Liu, "Magnetic Cleaning of Coal," Invited paper,American Mining Congress: Coal Convention, St. Louis, MO, April (1978); summary of paper published as:
  1. "Auburn's Magnetic Coal Cleaner Eliminates Dewatering," Mining Engineering, 30, pp. 721 and 725, July (1978).
  2. "Magnetic Cleaning of Coal," Coal Mining and Processing, p. 28, July (1978).
  3. "Magnetic Cleaning of Coal," Mining Congress Journal, p. 62, July (1978).
  H6. Y. A. Liu and C. J. Lin, "Status and Problems in the Development of High-Gradient Magnetic Separation Processes Applied to Coal Beneficiation," Invited paper, Proceedings of Engineering Foundation Conference on Clean Combustion of Coal, Rindge, New Hampshire, July, 1977; EPA Publication No. EPA-600/7-78-073, pp. 109-130 (1978).
  H7. Y. A. Liu and C. J. Lin, "Status of Development of Magnetic Separation Processes Applied to Coal Beneficiation," CEP Technical Manual, Coal Processing Technology, Vol. 4, pp. 205-210, AIChE, New York (1978).
  H8. C. J. Lin and Y. A. Liu, "Desulfurization of Coals by High-Intensity, High-Gradient Magnetic Separation: Conceptual Process Design and Cost Estimation," in Coal Desulfurization, ACS Symposium Series, Vol. 64, pp. 121-139, T. D. Wheelock, editor, American Chemical Society, Washington, D.C. (1978).
  H9. Y. A. Liu, C. J. Lin and D. M. Eissenberg, "A Novel Fluidized-Bed Dry Magnetic Separation Process with Applications to Coal Beneficiation," Digest of the INTERMAG Conference, IEEE Publication No. 78 CH 1341-7MAG, p. 10-2, Institute of Electric and Electronic Engineers, Inc., New York, May (1978).
  H10. Y. A. Liu, G. E. Crow, C. J. Lin and D. L. Vives, "A Pilot-Scale Study of High-Gradient Magnetic Desulfurization of Solvent-Refined Coal," Digest of the INTERMAG Conference, IEEE Publication No. 78CH 1341-7MAG, p. 10-3, Institute of Electric and Electronic Engineers, Inc., New York, May (1978).
  H11. Y. A. Liu, T. H. McCord, S. Batra and T. Tsai, "Novel Fluidized-Bed High-Gradient Magnetic Separation (HGMS) Processes for Desulfurization of Dry Pulverized Coal for Direct Utility Applications," Digest of the International Magnetics Conference, New York, July (1979).
  H12. Y. A. Liu, R. G. Wagner, T. H. McCord, D. W. Norwood, S. K. Batra and T. Tsai, "A Novel Cyclic Superconducting Fluidized-Bed High-Gradient Magnetic Separation Process for Desulfurization of Dry Pulverized Coal for Utility Applications," Digest of the INTERMAG Conference, IEEE Publication No. 80 CH1541-MAG, p. 21-5, Institute of Electric and Electronic Engineers, Inc., New York, (1980).
  H13. Y. A. Liu, R. G. Wagner, T. H. McCord, S. K. Batra and T. Tsai, "A Comparative Study of Cyclic High-Gradient Magnetic Separation Processes for Desulfurization of Dry Pulverized Coal," Digest of the INTERMAG Conference, IEEE Publication No. 80 CH1541-MAG, p. 21-6, Institute of Electrical and Electronic Engineers, Inc., New York (1980).
  H14. Y. A. Liu, "Novel Superconducting Fluidized-Bed High-Gradient Magnetic Separation Processes for Desulfurization of Dry Pulverized Coal," Microfiche No. 63 (Paper No. 21C), AIChE Annual Meeting, Chicago, IL, November (1980).
  H15. J. A. Guin, Y. A. Liu, C. W. Curtis, A. R. Tarrer and D. C. Williams, "Research on Coal Liquefaction and Desulfurization," invited paper, Chemical Engineering Education, Vol. XV, No. 4, pp. 178-182 and 213, Fall (1981).
  H16. Y. A. Liu, "Novel High-Gradient Magnetic Separation Processes for Desulfurization of Dry Pulverized Coal for Utility Applications," 120 pages, U.S. Department of Energy, report no. DOE/ET/14287-T1 (DE82021888) (1982).
  H17. Y. A. Liu, "Pilot-Scale Development and Demonstration of a Novel Superconducting High-Gradient Magnetic Separation Process for Desulfurization of Dry Pulverized Coal," Digest of the INTERMAG Conference, Publication No. 83CH189512, p. BA-2, Institute of Electrical and Electronic Engineers, Inc., NY (1983).

I. Novel Fluidized Beds for Heat Recovery and Reaction Applications


  I1. J. S. Yang, Y. A. Liu and A. M. Squires, "Shallow Fluid Beds of 'Master Beads'," in Fluidization V: Proceedings of the Fifth International Fluidization Conference, pp. 417-424, K. Ostergarrd and A. Sorenson, editors, Engineering Foundation, New York (1986).
  I2. Renato Sprung, Benku Thomas, Y. A. Liu and A. M. Squires, "Shallow Vibrobeds of 'Master Beads'," in Fluidization V: Proceedings of the Fifth International Fluidization Conference, Elsinore, Denmark, pp. 409-416, K. Ostergarrd and A. Sorenson, editors, Engineering Foundation, New York (1986).
  I3. J. S. Yang, Y. A. Liu and A. M. Squires, "A Simple Light-Probe Method for Quantitative Measurements of Particle Volume-Fractions in Fluidized Beds," Powder Technology, 49, 177-187 (1987).
  I4. J. B. Thomas, Y. A. Liu, R. Chan and A. M. Squires, "A Method for Observing Phase-Dependent Phenomena in Cyclic Systems: Application to Study Dynamics of Vibrated Beds of Granular Solids," Powder Technology, 51, 77-92 (1987).
  I5. J. S. Yang, Y. A. Liu and A. M. Squires, "Pressure Drop in Shallow Fluidized Beds: Theory and Experiment," Powder Technology, 53, 78-89 (1987).
  I6. D. E. Hirt, C. W. Cheah, Y. A. Liu and A. M. Squires, "A Vibrofluidized-Bed Heat Exchanger for Heat Recovery from a Hot Gas. Part I. Feasibility Study of a Pilot-Scale System," Powder Technology, 55, 257-267 (1988).
  I7. C. W. Cheah, D. E. Hirt, Y. A. Liu and A. M. Squires, "A Vibrofluidized-Bed Heat Exchanger for Heat Recovery from a Hot Gas. Part II. Heat-Transfer Evaluation of a Pilot-Scale System," Powder Technology, 55, 269-276 (1988).
  I8. B. Thomas, Y. A. Liu, M. O. Mason, and A. M. Squires, "Vibrated Beds: New Tools for Heat Recovery," Chem. Eng. Progress, 84, No. 6, 65-75, June (1988).
  I9. B. Thomas, M. O. Mason, Y. A. Liu and A. M. Squires, "Identifying States in Shallow Vibrated Beds," Powder Technology, 57 267-280 (1989).
  I10. B. Thomas, M. O. Mason, R. Sprung, Y. A. Liu and A. M. Squires, "Heat Transfer in Shallow Vibrated Beds," Powder Technology, 99, 293-301 (1998).