Tentative Program

International Seminar Micro-Nano Technologies for Chemical Processes

5 September 2014, 08:30 am. – 12:00 am.

9th floor STRI, KMUTNB, Thailand

Professor Goran N. Jovanovic

Professor Alexandre (Alex) Yokochi

Assistant Professor Dr. Líney Árnadóttir

Microproducts Breakthrough Institute (MBI), Chemical Engineering

Oregon State University (OSU)

103 Gleeson Hall, Corvallis, OR 97331, Tel. 541.737.2491 ______________________________________________________________________________

08:30 – 09:00 Registration

09:00 – 09:30 Welcome and Opening Remarks

09:30 – 10:15 Chemical Process Technologies Go 2D- The Change in Paradigm

By Professor Goran N. Jovanovic

10:15 – 11:00 Molecular Modelling of Catalysis by Assistant Professor Dr. Liney Arnadottir

11:00 – 11:15 Coffee break

11:15 – 12:00 Novel Micro – Nano – Scale Based Electrochemical Reactors

By Professor Alex Yokochi

12:00 Lunch

______________________________________________________________________________

Dr. Goran Jovanovic, Professor of Chemical Engineering Co-Director of Microproducts Breakthrough Institute Oregon State University, School of CBEE goran.jovanovic@oregonstate.edu Dr. Jovanovic received his B.Sc. degree in chemical engineering from Belgrade University (Belgrade, Yugoslavia). He was awarded the Fulbright Grant for graduate study in US where he received his M.Sc. and Ph.D. degree in chemical engineering. Dr. Jovanovic taught chemical engineering at Belgrade University from 1980 to 1991. In 1991 he moved back to US at Oregon State University (OSU) where he is Professor at the School of CBEE and Director of the Microproducts Breakthrough Institute (MBI). Dr. Jovanovic research interest is focused in several areas of microtechnology. Currently, Dr. Jovanovic is developing a new class of high volume processing microreactors and microfluidics-based devices for production of biofuels (biodiesel synthesis, biofuel upgrading) desulphurization of fossil fuels, water desalination, separation processes, and biomedical devices (kidney dialyzer, hemo-oxygenator, semi-artificial veins and arteries). Graduate students in his laboratory at OSU and MBI are developing microscale biosensors, microscale chemical reaction processes, and microscale separation operations suitable for the development of high volume production microscale-based chemical processes. Under Dr. Jovanovic’s mentorship 42 graduate students obtained advanced degrees in chemical engineering, out of which 20 PhDs. His graduate students are researchers in private industry, national laboratories, consultants, and University professors throughout the World. Currently, Dr. Jovanovic mentors six Ph.D. students. He has published 121 refereed papers out of which 14 monograph contributions, presented 60 invited lectures and seminars in addition to over 100 presentations at scientific conferences He has completed 74 research projects funded by DOE, NASA, NIH, NSF and private industry. Dr. Jovanovic is currently involved in the expansion of economic opportunities in the State of Oregon, by helping development of several emerging companies in Northwestern US. Dr. Jovanovic is a leader in the formation and operation of new start-up companies in micro/nano-technology area and renewable energy area. Served as CTO. Two start-up companies use Dr. Jovanovic’s intellectual property (owned by Oregon State University). Dr. Jovanovic is a consultant with several companies in Europe and USA. In addition to being a Fulbright Scholar, Dr. Goran Jovanovic is the recipient of numerous honors and professional and scholastic awards. Some of his most recent awards include: Austin Paul Engineering Faculty Award (OSU 1997); Outstanding Faculty Advisor Award (WERC Consortium & Los Alamos National Laboratory 1999), Elizabeth Ritchie OSU Distinguished Professor Award (OSU 2001); Collaborative Research Award, (OSU 2003); OSU College of Engineering Research Award (OSU 2005); OSU Alumni Award (OSU2006); and Life Long Achievement Award, (WERC - NM State University 2008); Alumni Distinguished Professor Award (OSU 2012)

Chemical Process Technologies Go 2D The change in Paradigm

Goran Jovanovic

goran.jovanovic@oregonstate.edu

Oregon State University, Corvallis, Oregon Microproducts Breakthrough Institute (MBI), Corvallis Oregon

There are rare occasions in professional lives of engineers & engineering scientists

when the emerging technologies take significant departure from contemporary paradigms, thus creating disruptive conditions for momentous technological changes. One of these occasions was made possible with the emergence of the nano & microscale-based technologies. While the impact of the so-called nano-technologies was often reduced to simple functional features imbedded in physical properties of nanoparticles, the microtechnology brought real technological changes from its inception.

Since the advent of micro-nano-scale-based technologies, scientist and engineers have been making brave advances in all areas of chemical engineering processing. Separation processes and heterogeneous catalytic processes occupy the most prominent place in this effort. Development is undoubtedly fueled by the most fundamental advantages of micro-nano-scale-based structures: extremely high surface-to-volume ratio, and exceptionally high and controllable heat and mass transfer. In addition, devices based on micro-nano-scale structures present new technological opportunities in deployment of non-conventional fields and forces in enhancing (bio)chemical process rates. Moreover, the excitement of disruptive changes does not stop or start with the creation of new processes.

There are three areas of engineering practice, in which concurrent changes are

creating critical advances to make the groundbreaking technological transformation possible: 1. Engineering education of micro-nano-atto fundamentals, pertinent for new chemical

engineering transport phenomena; 2 Research, development and design of micro-nano-atto based chemical technologies; 3. Novel manufacturing processes suitable for development and commercialization of

micro-nano-atto based chemical technologies

Engineering education of micro-nano-atto fundamentals is the key component in producing new breed of (bio)chemical engineers who could support the envisioned

transformational process. Creation of new Transport Phenomena courses, based on micro-nano-atto scale, is the first step on this road for any chemical engineering school.

Research, development and design of micro-nano-atto based technologies is already

well established reality at MBI, and several advance laboratories at academia (MIT, Stanford, UCLA, . . ), and national and private industry laboratories. However these practices are not yet systematically rooted in their technical approaches.

Manufacturing of the micro-nano-atto-scale based devices for needs of industrial scale

processes is bringing additional changes. Often these changes are typified in the lamination technical approach in which particular devices are designed, manufactured and assembled. The focus of this presentation will be on the functional advantages of the lamination approach in designing new generation of process devices, rather then on the large-scale massive inexpensive manufacturing approaches in the fabrication of lamina elements for separation processes and heterogeneous catalytic reactors.

In this presentation we will introduce an innovative approach in the design of microscale-based catalytic reactors and separation unit operations. The approach will reflect principal advantages of microtechnology, as they pertain to the development of microscale chemical reactor and phase separation unit operations performed in the 2D architecture (laminae). The integration of surface modifications into these microscale-based devices has dramatically departed from existing paradigms in conventional chemical reaction processes. Furthermore, in line with the development of newly designed features of chemical reaction processes, and using fundamental principles, we will propose criteria and reasons why an engineering design in micro-nano-atto scale based applications has to take different approach. At the end, we will discuss new developments that illustrate applications of chemical reaction processes designed on micro-nano-atto fundamental principles in energy, environmental and bioengineering fields. Some of these processes are currently under development, while others are awaiting creative solutions that will fulfill the new engineering promise for better-faster-cheaper (bio)chemical processes.

Dr. Líney Árnadóttir, Assistant Professor in Chemical Engineering, School of Chemical, Environmental and Biological Engineering, Oregon State University liney.arnadottir@oregonstate.edu

Dr. Arnadottir received her M.Sc. and Ph.D. in chemical engineering at the University of Washington under the guidance of Dr. Eric M. Stuve and Dr. Hannes Jónsson and a B.Sc. in Chemistry from the University of Iceland. At the University of Washington, Dr. Arnadottir combined experimental electrochemistry and theoretical chemistry to study the reaction mechanism of methanol oxidation on platinum for direct methanol fuel cell applications.

Starting in 2008, she was a post-doctoral researcher at NESAC/BIO at the University of Washington. NESAC/BIO is a state-of-the art surface analysis facility concentrating on bio-related application and surfaces. Under the guidance of Dr. Lara J. Gamble and Dr. David G. Castner, she used Time of Flight Secondary Ion Mass Spectrometry and X-ray spectroscopy to study protein orientation on self-assembly monolayers as well as developing chemical images of pattern surfaces

Dr. Arnadottir joined the faculty at Oregon State University as a tenure-track Assistant Professor in 2013. Dr. Arnadottir research interests include catalysis and atomic understanding of surface interactions and reaction mechanisms. Among her active projects are: a computational study of the Fischer Tropcsh reaction mechanism with the aim of finding optimal catalysts and operational conditions for improved CO utilization and narrower product distributions of higher carbons. She is also working on a fundamental study on the use of statistical mechanics to improve computational predictions of prefactors for microkinetic models. Other projects include a combined experimental and computational study of the role of salts in the initial states of corrosion and the role of defects and other surface structures in CO2 activation on metal surfaces.

Dr. Arnadottir is actively collaborating on research in catalysis and reactor design, bio-glucose sensing, development of reaction theory, electro-chemical ammonia synthesis and ethanol fuel cell development with researchers from around the world.

Currently, Dr. Arnadottir mentors one Ph.D. and one M.Sc. student as well as three undergraduates, she hopes to add two more Ph.D. students to her team this fall. In the last five years Dr. Arnadottir has published 11 peer review journal papers and has presented on over twenty seminars and national scientific conferences.

Molecular Modeling of Catalysis Líney Árnadóttir, Ph.D.

Assistant Professor, Oregon State University, Corvallis, OR 97330

With greater economic expectations and stricter environmental requirements for many industries comes the need to develop more precise control of catalytic processes to increase selectivity and utilization, and to minimize waste. Traditionally, the study of heterogeneous catalysis has been conducted in an experimental framework, but with recent developments in molecular modeling, the use of molecular modeling of heterogeneous catalysis has grown rapidly. Recent developments in density functional theory (DFT), which earned Pople and Kohn the Nobel Prize in Chemistry in 1998, and significant advances and access to computational power, has made it possible to calculate more complex and realistic systems and to utilize DFT for computer-based catalyst design.

Heterogeneous catalysis is inherently an atomic scale process where reaction rates and catalytic activity is determined by surface interactions between different reactants and reaction intermediates and the catalyst surface. Understanding and optimizing these interactions represents a critical task for the design of faster and more selective catalysts.

It has been shown that the strength of adsorbate-surface interactions correlates strongly with reaction rates. For complicated, multistep reactions, deciding which adsorbate-surface interaction or reaction step to explore is not straight forward and can vary depending on the ultimate goal of the process optimization such as gaining certain product distribution, maximize utilization of an expensive or hazardous reactant or minimize production of a harmful product. We can calculate the strength of adsorbate-surface interactions using DFT calculations and explore what effects various alloys and additives, co-adsorbates, surface structure has on the adsorbate-surface interaction as well as on overall reaction mechanism and reaction rates. We can use this approach to look for better catalysts by computationally scanning hundreds of combinations and narrow them down to just a handful of promising candidates without the cost and time involved in experimental exploration. To decide which reaction step(s) to concentrate on, DFT-based microkinetic modeling, combined with degree-of-rate control analysis, can provide the reaction mechanisms and the rate determining steps for different process optimization schemes. Alone or paired with experiments, molecular modeling is a powerful, affordable tool of catalysis research and catalyst discovery.

In this workshop we will discuss different molecular modeling approaches for heterogeneous catalytic and how combination of DFT, microkinetic modeling, and experimental data can be used to optimize complex heterogeneous catalytic reaction mechanism such as Fischer–Tropsch.

Dr. Alexandre (Alex) Yokochi, Associate Professor in Chemical Engineering, School of Chemical, Environmental and Biological Engineering, Oregon State University Gleeson Hall, Corvallis Oregon 97331 - USA Alexandre.Yokochi@oregonstate.edu

Prof. Alexandre (Alex) Yokochi, Ph.D., received B.S. (‘90) and M.S. (‘91) degrees in Chemistry with an emphasis in Inorganic Chemistry from Southern Illinois University at Carbondale working under the direction of Prof. Conrad C. Hinckley, and Ph.D. (‘97) in Synthetic and Physical Inorganic Chemistry from Texas A&M University under the direction of Prof. F. A. Cotton. In 1997, Dr. Yokochi joined the Department of Chemistry at Oregon State University, Corvallis as a Research Professor in the field of Crystallography and Materials Science. In 2004 he joined the School of Chemical, Biological and Environmental Engineering at OSU as a Tenure Track Assistant Professor and established the innovative Reaction Engineering and Materials for Sustainability Laboratory (iREMS lab). Dr. Yokochi’s primary interests lie at the interface of Materials Science and Engineering, Chemistry and Chemical Engineering to drive innovative solutions, especially those focused on developing sustainable energy and resource production technologies. These include microreactors for purposes like hydrogen production, fuel processing, catalytic reactions like Fischer Tropsch Synthesis, advanced batteries and fuel cells and other electrical energy storage methods; the development of innovative approaches to electrochemical metal production (electrowinning); the integration of renewable energy resources into the grid using energy storage systems; and the development of hydrogen storage materials. His work is supported by NSF (including a CAREER grant), DoE, DoD, BPA, and Industrial Partners like the PTT plc (Thailand).

Novel Micro-Nano-Scale Based Electrochemical Reactors Alexandre (Alex) Yokochi

Alexandre.Yokochi@oregonstate.edu Oregon State University, Corvallis, Oregon

Microproducts Breakthrough Institute (MBI), Corvallis Oregon

In order to occur, chemical reactions must both be energetically favorable (have a

sufficiently large negative ΔG) and occur sufficiently fast; i.e., their activation energy barrier can

be reasonably overcome by the reacting species. The input of electrical energy into the

reactor, both in electrochemical or electric discharge processes, can be used to provide the

excess energy to yield products or to accelerate exceedingly slow chemical reactions. Due to

voltage drop through reaction media of limited conductivity, as well as the fact that reactive

species-surface interactions can be used to shift the chemical products resulting from the

reactions, these kinds of systems are well suited for implementation in microscale-based

reactors, especially when enhanced with nonstructural features. Important fundamental

phenomena of these reactive systems and examples of research level system implementations

will be discussed in this presentation.