Maria Burka - Chemical Engineering in the 21st Century
1. Chemical Engineering
in the 21st Century
12th Mediterranean Congress of Chemical Engineering
November 17, 2011
Maria K. Burka
National Science Foundation
mburka@nsf.gov
703-292-7030
2. Evolution of Chemical Engineering
Discipline
Will focus here on cutting edge research done at universities, not
practical plant operation
Historically looked at unit operations, scale-up of processes to produce
commodity chemicals, etc. – this is “mesascale”
Today discipline encompasses much larger scope and runs the gamut
from work based on molecular (nano-) phenomena to megascale (whole
enterprises)
Discipline has embraced biological engineering – chemical engineering
skills are ideal to solve problems in this arena
Biochemical engineering
Biotechnology
Biomedical engineering
Chemical engineering education and training is ideal to deal with urgent,
present-day problems
Need to work in interdisciplinary teams
Profession is getting much more diverse – more women and other
underrepresented groups constitute workforce
3. Humanity’s Top Ten Problems
for Next 50 Years
1. Energy*
2. Water*
3. Food*
4. Environment*
5. Poverty
6. Terrorism & War
7. Disease*
8. Education* 2003 6.3 Billion People
2050 9-10 Billion People
9. Democracy
10. Population (Source: Richard Smalley, Nobel Laureate)
3
5. Clean Energy
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Burka, November 2011
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6. Sustainable Energy
Biofuels and bioenergy
Biomass as an energy source
Chemical conversion
Biochemical conversion
Treatment of cellulosic materials, switchgrass, etc.
Algae
Fuel cells: convert chemical energy into electricity. High efficiency, low
environmental impact, siting flexibility, quiet and vibration-free operation,
continuous operation
Batteries – energy storage systems
Wind and wave power
Solar, photovoltaic
7. Outline
Nano-scale – molecular design
Mega-scale – manufacturing
Energy
Water
Biological engineering
Relevant AIChE activities
8. Chemical Reaction Engineering
Environmental/energy issues – green chemistry
Developing a catalytic reactor to remove toxic components of landfill gas (LFG) so that LFG can
be used as an alternate source of energy
New methods to manufacture jet fuel
Cellulose fast pyrolysis
Study of nitrification for various treatment uses
Microreactors
Energy -- Electro- and photo-chemical systems
Carbon nanotube templated battery electrodes
Cathodes for intermediate-temperature solid oxide fuel cells
Reactors used in microelectronics manufacturing: CVD, ALD, plasma reactors
Metal oxide nanosheets fabricated by atomic layer deposition
Bioreactors – fermentation, biofuels, etc.
Non-traditional reactor systems: membrane reactors, reactions in SCF
Microwave synthesis of materials
Nanotechnology
Asymmetric nanopores for studies of hindered transport
Growth of ultra thin metal alloy films
9. Membrane Contactor Reactors for
Environmental Applications
Theodore T. Tsotsis and Fokion Egolfopoulos, USC
•Landfill gas as a potential renewable fuel – contains 50% CH4
•Present time, large fraction is flared. Rest utilized for electric power
generation and for medium BTU gas-type applications.
•Has corrosive contaminants.
•Develop a novel, membrane reactor (MR) based, integrated landfill gas
treatment system – with an oxidation nanocatalyst.
•Want to understand the catalytic combustion.
•Develop a better fundamental understanding of the key technical challenges
and generate preliminary “proof of concept” experimental data.
•Working with industrial partners: Media & Process Technology, Inc.
and GC Environmental, Inc.
10. Low-Temperature High-Efficiency Knudsen Flow Reactor
Actual pore length, ~5 microns
LFG NMOC
0.1 micron The stainless steel porous
pore diameter support can be heated directly
LFG via resistive heating as shown
molecules here, if the light-off temperature
Inlet Outlet
is > room temperature
Since the mean free path of gas molecules under atmospheric condition is ~0.1
micron, the porous Al2O3 thin film with pore size of 0.1 micron will provide a
Knudsen flow regime, where the gas molecules will collide with the catalyst wall Stainless steel support with
more frequently than collide with each other. resistive heating option
Conceptual diagram for a Knudsen flow reactor
Inlet
Al2O3 thin film with
+ 0.l-02 μm pore size
and 5 micron
Stainless steel substrate thickness, which is
as support and a heater, coated with highly
~2 mm thickness and 50 dispersed catalyst.
micron pore opening
-
Outlet
11. Polymer Electronic Materials for Alternative Energies
Kenneth K. S. Lau – Drexel University
Polymer-based solar cells permit more widespread solar
harvesting.
Silicon photovoltaic technology is expensive. Organic,
polymer-based materials lower cost
Problems: in bulk heterojunction devices inefficiencies result
from the mismatch of high band gaps of conjugated
polymers with the solar spectrum, and generally poor
charge generation and charge transport due to structural
and morphological defects.
Aim here: use initiated chemical vapor deposition (iCVD)
technologies to design, synthesize and integrate polymer
electronic materials as viable photovoltaic devices.
iCVD – single step process, deposit a solid polymer thin film
on a substrate by thermally initiating the polymerization of a
monomer vapor.
12. Engineering and Integration of Polymer Electronic Materials for
Alternative Energies
Kenneth KS Lau Dept of Chemical and Biological Engineering, Drexel University, Philadelphia, PA 19104
Overall Objective Create novel polymer electronic materials through a highly tunable
synthesis process – initiated chemical vapor deposition – to enhance photovoltaic operation
heated iCVD Reaction and Process Technology
filament
• one step polymerization and polymer thin film forming
initiator & • chemical design via liquid phase polymerization mechanisms
monomer
vapor flow • physical control via liquid free CVD environment
Bulk
cooled Heterojunction
substrate Cell
iCVD Reactor System
and Reaction Mechanism
Dye
Sensitized
Solar
Cell
13. Hypothesis Tight interfacial contact of polymer electrolyte with nanostructured photoanode
leads to more effective charge transport in dye sensitized solar cells -- Lau
iCVD chemistry produces
polymer electrolytes with
tunable composition and ionic
conductivity
RK Bose & KKS Lau.
Chemical Vapor Deposition 15, 150-155 (2009).
iCVD physical processing
enables pore filling of
polymer electrolyte in
mesoporous anode
S Nejati & KKS Lau.
Nano Letters 11, 419-423 (2011).
S Nejati & KKS Lau.
Thin Solid Films 519, 4551-4554 (2011).
Tight integration of iCVD
polymer electrolyte in anode
leads to enhanced
solar efficiency
14. Flame-based Synthesis of Metal Nanoparticles
Sharmach, Papvasilliou and Swihart
Metal nanoparticles, e.g. silver and copper, may be
used in inks and pastes for displays, photovoltaic
devices, energy storage, electronics applications, in
catalysis, thermally conductive fillers, and anti-microbial
additives (e.g., wound dressings).
Use flame-based process
Lower cost than a plasma or laser based process
Use thermal nozzle reactor: separates combustion from
particle formation by passing hot combustion products
through a converging-diverging nozzle -> get
extraordinarily fast mixing
Produce nanoparticles in gas phase at high throughput
Form alloy and core-shell particles and novel carbon
nanomaterials, structures not obtainable by other methods
15. Flame-based Synthesis of Metal Nanoparticles
at Millisecond Residence Times
William Scharmacha,b, Vasilis Papavasilliou,a* Mark T. Swihartb*
aPraxair Inc., bUniversity at Buffalo (SUNY),*Principal Investigators
Rapid
• Economical, environmentally-friendly production of < Quenching
50 nm metal nanoparticles
• Applications in printed electronics, coatings, catalysts,
membranes, etc. Nanoparticle
Formation
Silver Carbon-coated Thermal
Copper Nozzle
Water-
based
Precursor
H2/O2 Flame
16. Flame-based Synthesis of Metal Nanoparticles at
Millisecond Residence Times
William Scharmacha,b, Vasilis Papavasilliou,a* Mark T. Swihartb*
aPraxair Inc., bUniversity at Buffalo (SUNY),*Principal Investigators
• Economic and environmentally friendly
synthesis of < 50 nm metal nanoparticles
• Ideal for producing metal nanoparticles for
use in electronics, coatings, catalysts,
membranes, etc.
• Thermal nozzle jet‐based technology
provides optimal heating and mixing
conditions for metal nanoparticle synthesis Nanoparticle
Formation
• Compact, suitable for high volume
production, simple, and scalable
• Flexibility to produce a variety of
nanoparticles including bimetallic and Water‐based
Precursor
multicomponent particles
H2/O2 Flame
17. Chemical Process Design
Development of Fundamental Design Methodology
Developing global optimization methodologies
Application Areas
Parallel nonlinear programming for optimization in rapid
therapeutics manufacturing
Integrated planning and scheduling – industrial
applications
Optimization strategies for designing biofuel processes
Directed assembly of nanoscale process systems
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18. Innovative Methodologies for Integrated
Planning and Scheduling
Marianthi Ierapetritou, Rutgers University
Modern chemical complexes may involve either large integrated complex
or multi-site production facilities serving global markets
Coupling of planning and scheduling models across different temporal and
spatial scales improve process operations
Computational intensity, model uncertainty and complexity of
manufacturing processes are roadblocks – have intractable mixed-integer
linear model (MILP) takes too long to solve
Solution method based on decomposition principles
Use
Agent-Based (AB) Approach
Modified Benders decomposition
Augmented Lagrangian relaxation
Rolling horizon method: based on the fact that planning decisions for the far
future may be inaccurate due to the unpredictability of future uncertainties
Hybrid Optimization Simulation approach
19. Integration of Planning and Scheduling
Marianthi Ierapetritou, Rutgers University
Planning and Scheduling Integration
Production Profile
Production Planning
Enterprise–Wide Optimization (EWO):
Scheduling
Detailed scheduling
Robust response to global demand to maintain
business competiveness and growth Improve consistency and operability of the planning decisions
Full Scale Integrated Model Solution Approaches: Mathematical programming
Given the fixed demand forecast and lead
time, the model optimizes the production,
inventory, transportation, and backorder • Block angular structure of the matrix is exploited
costs. • Coupling constraints for Inventory and production variables are introduced
The model for multisite network is large • Constraints are relaxed using Augmented Lagrangian relaxation
complex model and efficient solution • The problem can be decomposed into the planning and scheduling problem
approaches are needed
20. Enterprise-Wide Optimization
Marianthi Ierapetritou, Rutgers University
Simulation of a Supply Chain (SC) Network Multi agent-based representation
Agent-Based (AB) Approach:
Methodology to track the actions of multiple "agents"
defined to be objects with some type of behavior as:
Autonomy
Social ability
Reactivity
Pro-activeness agents SC entities
Hybrid Optimization Simulation approach
Sustainability considerations are
Output:
decision rules imposed by increasing awareness of:
- governmental regulations
Sustainable
- environmental policies SC
Global SC Lean SC
Multi-objective optimization
Input:
(aggregated results) Economic and environmental criteria
are considered in
the decision-making process.
21. A brief history of biotechnology
• Man has been manipulating living things to solve problems and improve his way of
life for millennia.
• Early agriculture concentrated on producing food. Plants and animals were
selectively bred and microorganisms were used to make food items such as
beverages, cheese and bread.
• The late eighteenth century and the beginning of the nineteenth century saw the
advent of vaccinations.
• At the end of the nineteenth century microorganisms were discovered, Mendel's work
on genetics was accomplished, and institutes for investigating fermentation and other
microbial processes were established by Koch, Pasteur, and Lister.
• Biotechnology at the beginning of the twentieth century began to bring industry and
agriculture together. During World War I, fermentation processes were developed
that produced acetone from starch and paint solvents The advent of World War II
brought the manufacture of penicillin. The biotechnological focus moved to
pharmaceuticals. The "cold war" years were dominated by work with microorganisms
in preparation for biological warfare as well as antibiotics and fermentation
processes.
• By the mid 70’s, genetic engineering/ molecular biology became a powerful tool to
start the process of designing cells for desired functions, that brought us fields of
metabolic engineering in the mid 90’s and synthetic biology in the past decade.
• In parallel, we developed analogous tools to manipulate mammalian cells, and made
advances both in developmental biology and material science, that has enabled the
field of stem cell engineering.
• By the mid 90’s tremendous, new analytical tools in biology and better computational
tools has led to advances in systems biology.
21
22. Genetic engineering/ molecular biology,
the first wave of modern biotechnology
These tools enabled us to use bacteria or mammalian
cells to make therapeutic proteins like insulin
27. Multi-input Multi-output Cellular Control
Christopher Voigt UCSF
Applying process control theory in biological systems
Sensors on cell surface recognize specific signals
(inputs), this is translated into a transcriptional or
behavioral response (outputs)
Inputs and outputs are connected by a network of
interacting proteins, RNA or DNA
Call these “genetic circuits” – process signals and function like
logic gates, switches and oscillators
Work here:
How genetic circuits integrate information from multiple sensors
How integrated circuits choose among multiple possible
responses
Use Salmonella regulatory network as model system
28. Multi-input Multi-output Cellular Control
Christopher Voigt UCSF
(Using logic from electrical engineering circuit design to program cells)
Individual Circuit Design Multi‐Circuit Genetic Programs
Applications
Thermodynamics
Kinetics, Transport
Computer Aided Design
More Complex Hosts
Edge detection is just one example of the type of logic circuits that can be designed and then implemented in bacteria
using synthetic biology tools developed in the Voigt lab.
29. Using Systems Biology & Experiment
in Cancer Signaling
David J. Klinke, West Virginia University
Monoclonal antibodies – cancer drugs that target
molecules unique to cancer cells – promote the death
of cancer cells
Want to understand how cancer cells resist design
effective treatments
Looking into mechanisms of resistance
Posit that cancer cells secrete biochemical cues,
signal cells and inhibit drug effectiveness
Identify antagonistic cross-talk between malignant cells and
cells of the immune system
Experimental and modeling effort
Cross-disciplinary: biochemical engineering, cancer
biology, pharmacology, etc.
30. Using Systems Biology & Experiment in Cancer Signaling
David Klinke West Virginia University
Klinke Mol Cancer 2010
Prior information
Tumor Immune
Cell Cell
3 4 3 4
-100 0 100 10 10 -100 0 100 10 10
Starve 12hr Starve 14 hr Starve 24 hr Starve 36 hr
4
10
3
10
100
MFI pSTAT4
0
-100
Starve 12hr + IL12 2hr Starve 12hr + IL12 12hr Starve 12hr + IL12 24hr
4
10
3
10
100
siRNA nAb
0
-100
-100 0 100 10
3 4
10
In vitro Cell
MFI IL-12Rβ2
Experimental Model‐based Models Flow Cytometry
Validation Inference Klinke et al. Biophys J 2008
Klinke et al. Cytometry A 2009
Alpha enolase spectra
4
2D‐GE
x 10
Normalized pSTAT4
Normalized IL12R
5 1 160
IL12p70 (pM)
4 0.75 120
3
0.5 80
M/Z 2
1 0.25 40
0 0 0
0 20 40 0 20 40 0 20 40
Time (hours) Time (hours) Time (hours)
MALDI ODE 1.5 80 20
TNFα (pM)
60 15
IL10 (pM)
IFNγ (pM)
1
40 10
0.5
TOF MS Models
20 5
AMCMC 0
0 20 40
Time (hours)
0
0 20 40
Time (hours)
0
0 20 40
Time (hours)
Kulkarni et al.
Pathway Enrichment
BMC Cancer 2010 Klinke BMC Bioinform 2009 Pr(Predictions | Model, Data)
Finley et al. Immunol Cell Bio 2010
31. Engineering of a Microbial Platform for the Conversion of
Light Energy into Chemical and Electrical Energy
Claudia Schmidt-Dannert - University of Minnesota
Building a bacterial solar cell
Use light-energy to drive desirable energy demanding
metabolic processes - > electricity generation in
engineered cells
Reconstruct phototrophy in a non-photosynthetic
microorganism
Engineer Rhodobacter sphaeroides to convert light-
energy into electricity
Have converted light energy by recombinant
Shewanella’s extracellular electron transfer pathway
into Rhodobacter
32. Engineering of a Microbial Platform for the Conversion
of Light Energy into Chemical and Electrical Energy
Claudia Schmidt-Dannert - University of Minnesota
Non-photosynthetic microbes:
easier to engineer
well-understood metabolism
useful metabolic properties
e3
G en
n
G en
e2
h to
1 Lig
ne
Ge
+ proteorhodopsin
Utilization of light energy to:
- proteorhodopsin
drive metabolically expensive
reactions
generate electricity
Goal: Light-Energy Conversion in Example: Light-dependent current
Engineered Non-Photosynthetic Bacteria increase in electrochemical chambers
containing engineered Shewanella
oneidensis expressing proteorhodopsin 32
33. Water Sustainability
Much of the World’s population is rapidly running
out of water, both potable and non-potable
We must find “new” sources of water or ways to
conserve or reuse what we now have
In a sense, all of our water is reused
The “purity” of our water supplies should match to
its intended use
Energy is a major user of water and needs to be
controlled
As readily available water is depleted, the alternatives may
have much larger energy and resource requirements
Life Cycle Assessment (LCA) is essential
33
35. Non-Traditional Water Sources
Besides the traditional water sources (rivers, lakes,
groundwater), municipalities are considering use of:
Agricultural return flows
Concentrate and other wastewater streams
Stormwater management and rainwater harvesting
Co-produced water resulting from energy and
mining operations
Desalination of seawater and brackish waters
Wastewater reclamation and reuse
Source separation
Water conservation (behavioral changes, low-flow
devices, drip irrigation, etc.)
35
36. Factors Driving Water Reuse
Population growth
Increased urbanization
Improvement in living conditions in developing
countries
Water scarcity
Increased municipal, industrial and agricultural
demand
Water rights arguments
Dependence on a single source of supply
TMDLs / nutrient load caps
Drought
Climate change
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37. Singapore’s NEWater
NEWater is treated wastewater
that is purified using
microfiltration/ultrafiltration and
reverse osmosis technologies
and ultraviolet disinfection, in
addition to conventional water
treatment processes
Fifth reclamation plant recently
put on-line
Now supplying 30% of total water
demand
Current total capacity = 20
million MGD (75,700 m3/day)
Most is used in industry
37
38. Water Reuse Benefits
Dependable source of supply
Reliable, consistent quality
Locally controlled; right to use
Environmentally friendly
Low capital costs relative to other sources of
supply Energy Demand by Water Source
Augments existing supplies (kWh/AF)
(Source: WateReuse Association)
38
40. Water Reuse Issues
Public perception / acceptance
Perceived chemical risks
Lack of political support
Sometimes cheaper, short-term alternatives are
available
Funding
Need to replace existing urban infrastructure
Institutional barriers between water and
wastewater utilities
Climate change
Energy / water nexus
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41. Water Treatment Requires Energy
Treatment of future water supplies will be energy intensive
•Readily accessible
water supplies have
been harvested
•New tecnologies are
required to reduce
energy requirements to
access non-traditional
sources (e.g., impaired
water, brackish water,
sea water)
Source: EPRI
41
42. Dynamic Structure and Function of Biofilms
for Wastewater Treatment
Robert Nerenberg – Univ. of Notre Dame
Developing a Hybrid Membrane-Biofilm Process (HMBP) where
cassettes of air-filled membrane-supported biofilms are intregrated
into an activated sludge tank
These are counter-diffusional biofilms, where the electron donor and
acceptor come from opposite sides.
Eliminates bubbled aeration, potentially saving over 50% of the
electrical energy requirements of the treatment plant, while
achieving nitrogen
removal and minimizing
N2O emissions
42
43. Desalination Energy Issues
Energy Use and Efficiency
• Energy use is ~40-60% of desal water cost
Thermal processes:
Membrane processes: Distillation, …
Reverse osmosis, … ra
ne
mb
me
Drinking
pump water
Drinking concentrate
water concentrate
heat
Pretreatment Concentrate Management
• Robust, cost-effective and low • Disposal is major environmental and
chemical used needed economic problem for inland desal
and emerging coastal desal issue
43
44. Investigating a New Energy-Efficient Hybrid Ion
Exchange-Nanofiltration Desalination Process
Arup Sengupta – Lehigh Univ.
Typical seawater reverse osmosis (RO) plants require 1.5-2.5 kWh
of electricity to produce 1 m3 of treated water
Thermal distillation requires 5-10 times more
This project will develop a new hybrid ion exchange-nanofiltration
process that will reduce energy consumption by 2-3 times
RO membranes will be totally
replaced by nanofiltration
membranes
The volume of brine to be
disposed will be greatly reduced
44
45. AIChE Relevant to Chemical
Engineering Priorities
Sustainability – Institute for
Sustainability
Energy – Center for Energy
Initiatives
Water – Water Advisory Board
Biological Engineering – Society for
Biological Engineering
Burka, November, 2011 45
46. ITG’s
Industrial Technology
Groups
Formed by AIChE to address:
need for experts to collaborate to overcome common obstacles,
global challenges or technology breakthroughs
First ITG—Center for Chemical Process Safety CCPS
(Response to Bophal 1990’s)
Most Recent-- AIChE Water Initiative
47. ITG’s: Addressing Critical
Issues of Today and Tomorrow
Center for Energy Initiatives
Institute for Sustainability
Water Advisory Board
Society for Biological Engineering
48. IFS and CEI
IfS --2004
Chair: Deborah Grubbe
Launches products to meet needs of Sustainability Professionals
Center for Sustainable Technology Practices (CSTP)
AIChE Sustainability Index
Sustainable Engineering Forum
Join: contact ifs@aiche.org
CEI -- 2010
Chair: Dale Keairns
Provides an overarching coordination of AIChE energy activities
Join an AIChE Division..you are engaged. Contact energy@aiche.org
49. Highlights Include
Program Relevancy and Plans
AIChE Sustainability Index ™ 3 additional companies anticipated for 2012
(Benchmarking of CPI Sustainability Performance)
ICOSSE Label for ACHEMA 2012 Partnership with DEChEMA
(Certification of Products, Processes being exhibited) May launch for additional exhibits
EPA People, Prosperity and the Planet 2011-Partner Promotion of Student Sustainability Projects
Selected to be Co-Sponsor for 2010 and 2011
Sustainable Packaging Symposium 2011 and 2012 245 Attendees in 2011. Media Partner- Greener
Package . Repeat in 2012: AIChE Spring Meeting
Certification of Professionals Certification Advisory Board Reviewing Program
October 31, 2011 in anticipation of 2012 launch.
EPA/NSF/AIChE Sustainable Supply Chain Workshop September 2011. Launch of Industry/Academia/Gov
consortium to Continue Work
DOD: Sustainable Material and Chemicals Consortium DOD funded to Launch this industry/government
consortium.
Sustainable Packing for Cosmetics Roundtable (SPCR) Organized and Launched September 2011 with
Chemical Engineers from non traditional CPI
companies (Estee Lauder, Chanel, Victoria Secrets)
50. Highlights Include
Program Relevancy and Plans
Founder Carbon Management UEF grants ‘09, ‘10, ’11
Lead Trans-disciplinary Team
AIChE, ASME, AIME, IEEE, ASCE, SME,
TMS, SPE
Carbon Management Technology February 9-12, 2012 Orlando Florida
Conference
Peer Reviews Gov: DOE NETL July 2011
Gov: Planned expansion to 2-3/year by
2012
Industry Interest as well for Service on
LCA
