In this issue:
AIChE CAST Division Newsletter Spring 2014
Change in Editorial Team
We begin this newsletter by thanking Peter Rony and Karl Schnelle for serving as co-editors of the CAST newsletter. As described in the Summer 2013 Newsletter, Peter has served as newsletter editor for 27 years. Everyone in CAST appreciates Peter's work, particularly because the archived newsletters serve the important purpose of recording the history of the division and keeping our community informed and engaged.
With Peter's stepping down as editor and Karl taking on the position of CAST 2nd Vice Chair, the CAST executive committtee entrusted Laksh with the responsibility of contributing as the Publications Board Chair. Together, we will be building on the excellent work done by Peter and Karl. We will start off our work with the existing format but will transition to more multimedia-enriched and interactive newsletter over the next few editions. We look forward to your contributions and continued support for the newsletter.
From the 2013 Annual meeting: two by-law changes were voted upon by CAST members and approved
2013 CAST Awards
Because of the redesign of the CAST newsletter, we are a bit late with our article on the 2013 Annual CAST Awards Banquet held in San Francisco on November 8, 2013.
Computing In Chemical Engineering Award
Computing Practice Award
Outstanding Young Researcher
W. David Smith, Jr. Publication Award
David Himmelblau Award
Directors' Student Presentation Award
2014 Directors' Poster Award
2013 Poster and Presentation Awards
The 2013 CAST Directors' Poster Award winner (Curtisha Travis of the University of Maryland) and CAST Presentation Award winner (Cara Touretsky of the University of Texas, Austin) also were acknowledged during the CAST Awards Banquet.
Recognition for CAST service
Other CAST members were recognized for their service to CAST during the 2013 Awards Banquet: Mayuresh Kothare was given a plauqe in appreciation for his service as 2013 Chair of CAST (below, left) and Wayne Bequette received a plaque in recognition of his service as 2013 CAST programming chair (below, center). This recognition also was acknowledged by a retrospective on Wayne's career presented by Nick Sahinidis (below, right).
2013 Travel Grant Winners
CAST 2013 Plenary Talks
Included below is a summary of the CAST Division plenary talks given at the AIChE Annual Meeting, San Francisco, USA (November 2013).
1. Paper Title: CAST Division Overview (Paper 46a; Slides used in this talk can be accessed here)
2. Paper Title: Superstructure-based shale plays water management optimization (Paper 46b; Presentation Slides)
Abstract: Water use makes up approximately 10% of the overall shale gas drilling and completion costs. Even though the Marcellus Shale Play overlies a water-rich region, regulatory restrictions pose considerable logistics challenges that demand sophisticated management strategies. There are four key aspects for water use in hydraulic fracturing, including source water acquisition, wastewater production, reuse and recycle, and subsequent transportation, storage, and disposal. The difficulty with surface water acquisition is that withdrawal is only permitted if the minimum flowrate requirement is met. Once a well is fractured, there is considerable flowback water. The total dissolved solids (TDS) concentration in the flowback water is the key criterion for determining the volume of freshwater to be blended to make up the source water used for the next fracture. The flowback water can be recycle reused or disposed. Of these options, disposal is not economically viable since it requires transporting wastewater to Ohio. In addition, transportation is a major expense since ninety percent of the trucks required for the completion of a wellpad are associated with the fracturing process. Alternatively, permanent or temporary piping could be considered. Finally, water storage is also heavily regulated, making storage of wastewater undesirable.
This presentation optimizes water use life cycle for wellpads through a mixed-integer linear programming (MILP) discrete-time representation. The objective is to minimize transportation, treatment, storage, and disposal cost. Assuming freshwater sources, wellpads, and treatment facilities are given, the goal is to determine an optimal fracturing schedule. The formulation involves a large number of binary variables mainly due to the long time horizon under consideration. Several examples are presented to illustrate the effectiveness of the formulation and to identify additional optimization opportunities that can improve the economics of water use.
3. Paper Title: A Stochastic PDE Framework for Natural Gas Network Operations (Paper 46d; Presentation Slides)
Abstract: We present a stochastic optimal control model to optimize gas network inventories in the face of system uncertainties. The model captures detailed network dynamics and operational constraints and uses a weighted risk-mean objective. We perform a degrees-of-freedom analysis to assess operational flexibility and to determine conditions for model consistency. We compare the control policies obtained with the stochastic model against those of deterministic and robust counterparts. In addition, we demonstrate that the use of risk metrics can help operators to systematically mitigate system volatility. Moreover, we discuss computational scalability issues and effects of discretization resolution on economic performance.
4. Paper Title: Study of Mechano-Electric Feedback On Cardiac Wave Propagation (Paper 46e; Presentation Slides)
Abstract: Electrical alternans is a physiological phenomenon that is a beat-to-beat oscillation (alternation) of the cardiac Action Potential Duration (APD). Alternans have been shown to be a precursor to arrhythmias (Makarov L et al., 2010) and sudden cardiac death (SCD), which is the most common cause of death in the industrialized world. The presence of electrical alternans induces, through the mechanism of the excitation-contraction coupling (ECC), an alternation in the heart muscle contractile activity. Contraction of cardiac tissue also affects the process of cardiac electric wave propagation through the mechanism of so called mechano-electrical feedback (MEF) (Kiseleva I et al.,2000). The study of mechano-electrical feedback is an important direction of research in current cardiac electrophysiology.
A valuable method to study mechano-electrical feedback is mathematical modeling allowing the study of the coupled mechanical and electrical activity of the heart tissue. In our study, we use the Nash-Panfilov (NP) model (Nash and Panfilov, 2004), which describes electro-mechanical coupling in a 3D isotropic cardiac tissue at the most basic level. The Mooney-Rivlin material response is used to describe passive mechanical properties of the cardiac tissue. The coupled model includes an additional variable to represent the active stress which is responsible for mechanical deformation and is coupled to the stress equilibrium equations (Nash and Panfilov, 2004; Alvarez-Lacalle and Echebarria, 2009). The active and passive stress components are linearly superimposed to define the total state of stress in the tissue.
In this work, numerical examples are provided to illustrate the effects of mechanical deformation (perturbation) on wave propagation. This will serve to demonstrate that a significant contribution to the physiological and contractile tissue features is linked through the tissue mechanics as an underlying mechanism through the mechano-electric feedback. In addition, we will explore the possibility of cardiac alternans annihilation by applied mechanical perturbation.5. Paper Title: Real-time Particle Size Estimation for Crystallization Processes through GPU-based Multivariate Image Analysis (Paper 46f; Presentation Slides)
Authors: Mai Chan Lau (National University of Singapore, Singapore) & Rajagopalan Srinivasan (Indian Institute of Technology, Gandhinagar, India)
Abstract: The capability to estimate crystal size distribution in real-time is important for effective control and optimization of particulate processes. Appropriately controlled crystal size distribution not only ensures high efficiency of downstream operations like filtering, drying and formulation, it also safeguards the efficacy of final product which is in crystal form. In order to achieve fast online measurement of crystal size, automated image analysis has recently been developed (Sarkar 2009). The methods have been shown to be quite accurate in terms of the particle size distribution estimated in real-time. However, this comes at the cost of computational efficiency. The major objective of the current work is to improve the computational efficiency of multivariate image analysis (MIA) such that the computational speed is at least on par with the image generation speed.
CAST EC elections
The CAST Executive Committee is pleased to announce the results of the election of officers for 2014.
Chair: Marianthi Ierapetritou
Marianthi Ierapetritou is a Professor and Chair in the Department of Chemical and Biochemical Engineering at Rutgers University in Piscataway, New Jersey. She obtained her BS from National Technical University in Athens, Greece, her PhD from Imperial College (London, UK) in 1995 and subsequently completed post-doctoral research at Princeton University (Princeton, NJ) before joining Rutgers University in 1998. Among her accomplishments are the Rutgers Outstanding faculty Award in 2012, the Rutgers Board of Trustees Research Fellowship for Scholarly Excellence in 2004, and the prestigious NSF CAREER award in 2000.
First Vice-Chair: Ray Adomaitis
Ray Adomaitis received his B.S. and Ph.D. in Chemical Engineering from the Illinois Institute of Technology. After two years working on computational nonlinear dynamics as a postdoctoral researcher at Princeton University, he joined the Institute for Systems Research (ISR) at the University of Maryland as a postdoctoral fellow. Currently, he is a Professor and Associate Chair for Undergraduate Studies in the Chemical and Biomolecular Engineering Department with a joint appointment at the ISR at the University of Maryland. He also is affiliated with the Maryland Nanocenter and the University of Maryland Energy Research Center (UMERC).
Second Vice-Chair: Karl D. Schnelle
Karl D. Schnelle is a senior R&D Scientist at Dow AgroSciences LLC. He received a BS degree from Vanderbilt University, and then received a PhD degree in Artificial Intelligence Applications in 1992 from Northwestern University - both in Chemical Engineering.
Prior to his PhD, Karl had worked as a process engineer for DuPont. Currently, he is transitioning from a Senior Research Leader in R&D Analytics to a role as Master Black Belt in Strategic Planning and Operations at Dow. Karl also provides leadership in training across R&D so that researchers are well versed in design of experiments and statistical analysis of data.
Secretary, Treasurer: Martha A. Grover
Martha Grover is an Associate Professor of Chemical & Biomolecular Engineering at the Georgia Institute of Technology. She is the Duncan Mellichamp Faculty Fellow, and program faculty in bioengineering. She earned her BS at the University of Illinois, Urbana-Champaign, and her PhD at the California Institute of Technology. Honors include the NSF CAREER award, the CAST David W. Smith Graduate Publication Award, and the CAST Outstanding Young Researcher Award. Her research program is focused on the control of molecular-scale self-assembly. Applications in materials self-assembly include feedback control of colloidal photonic crystal processing, and recipe optimization for morphology control of organic electronics manufacturing. Application to biological self-organization is investigated through the NSF/NASA Center for Chemical Evolution.
2014-2016 Director: Andreas A. Linninger
Andreas Linninger is a professor of bioengineering, chemical engineering and computer science at the University of Illinois in Chicago. His special interests lie in computer-aided design of chemical and biological processes. At the Stephanopoulos lab at MIT, he co-developed Batch Design Kit, a virtual laboratory for the synthesis of pharmaceuticals and specialty chemicals. His research also aimed at clean manufacturing of pharmaceutical processes with ecological considerations under uncertainty. Current interests include applications of systems engineering methods in biochemistry and cellular dynamics. His lab is developing virtual reality methods for the real time analysis and simulation of hemodynamics and metabolic processes in the brain.
2014-2016 Director: Leo Chiang
Leo Chiang is Senior Technical Manager at The Dow Chemical Company in Freeport, Texas. He has 13 years of experience with Dow in technical and managerial positions leading on-line fault detection, soft sensor implementation, chemometrics, multivariate statistical modeling, and applied statistics. He is accountable to partner with academia to develop and transfer emerging data-driven modeling technologies for Dow globally. Leo has developed and implemented several systems techniques to solve complex manufacturing problems and to improve product quality and yield, resulting in 10 Manufacturing Technology Center Awards. In 2010, he received the Vernon A. Stenger Award, which is the highest individual honor in Dow Analytical Sciences R&D.
2015-2017 Director: Mario R. Eden
Dr. Mario R. Eden is the Department Chair and Joe T. & Billie Carole McMillan Professor in the Department of Chemical Engineering at Auburn University. He is also the Director of a NSF-IGERT on Integrated Biorefining. Dr. Eden's research interests include process design, integration and optimization, as well as molecular synthesis and product design. He is the co-author of 4 book chapters, over 85 refereed papers, over 35 invited lectures and seminars, and almost 240 presentations at national/international conferences. Dr. Eden is the recipient of several research awards including the NSF Faculty Early Development (CAREER) award (2006), the Auburn Engineering Alumni Council Junior Faculty Research Award for Excellence (2006), the Auburn Engineering Alumni Council Senior Faculty Research Award for Excellence (2012), and the Auburn University President's Outstanding Collaborative Units Award (2012) as a founding member of Auburn's Center for Bioenergy and Bioproducts. At the 2009 FOCAPD meeting, he was honored with the Best Faculty Contribution Award. Dr. Eden's teaching has focused on the senior capstone design sequence and he has been recognized with several awards for his efforts including the William F. Walker Superior Teaching Award (2007, 2014), the Fred H. Pumphrey Teaching Award for Excellence (2009 and 2011), the SGA Award for Outstanding Faculty Member in the Samuel Ginn College of Engineering (2009 and 2011), the Outstanding Faculty Member in the Department of Chemical Engineering (2009, 2011, 2013, and 2014), and he was selected to participate in the 2010 National Academy of Engineering Frontiers of Engineering Education Symposium. Dr. Eden received his M.Sc. (1999) and Ph.D. (2003) in Chemical Engineering from the Technical University of Denmark.