Tentative program for seminar on

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
[email protected]
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 microfluidicsbased 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/nanotechnology 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
[email protected]
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 nonconventional 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 micronano-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-fastercheaper (bio)chemical processes.
Dr. Líney Árnadóttir, Assistant Professor in Chemical Engineering, School of
Chemical, Environmental and Biological Engineering, Oregon State University
[email protected]
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
[email protected]
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
[email protected]
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.