Maria Burka - Chemical Engineering in the 21st Century
Chemical Engineering in the 21st Century 12th Mediterranean Congress of Chemical Engineering November 17, 2011 Maria K. Burka National Science Foundation firstname.lastname@example.org 703-292-7030
Evolution of Chemical Engineering DisciplineWill focus here on cutting edge research done at universities, notpractical plant operationHistorically looked at unit operations, scale-up of processes to producecommodity chemicals, etc. – this is “mesascale”Today discipline encompasses much larger scope and runs the gamutfrom work based on molecular (nano-) phenomena to megascale (wholeenterprises)Discipline has embraced biological engineering – chemical engineeringskills are ideal to solve problems in this arena Biochemical engineering Biotechnology Biomedical engineeringChemical engineering education and training is ideal to deal with urgent,present-day problemsNeed to work in interdisciplinary teamsProfession is getting much more diverse – more women and otherunderrepresented groups constitute workforce
Humanity’s Top Ten Problems for Next 50 Years1. Energy*2. Water*3. Food*4. Environment*5. Poverty6. Terrorism & War7. Disease*8. Education* 2003 6.3 Billion People 2050 9-10 Billion People9. Democracy10. Population (Source: Richard Smalley, Nobel Laureate) 3
Clean Energy r at ion int eg show g– fixin eedsN Burka, November 2011 5
Sustainable EnergyBiofuels and bioenergy Biomass as an energy source Chemical conversion Biochemical conversion Treatment of cellulosic materials, switchgrass, etc. AlgaeFuel cells: convert chemical energy into electricity. High efficiency, lowenvironmental impact, siting flexibility, quiet and vibration-free operation,continuous operationBatteries – energy storage systemsWind and wave powerSolar, photovoltaic
Chemical Reaction EngineeringEnvironmental/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 usesMicroreactorsEnergy -- Electro- and photo-chemical systems Carbon nanotube templated battery electrodes Cathodes for intermediate-temperature solid oxide fuel cellsReactors used in microelectronics manufacturing: CVD, ALD, plasma reactors Metal oxide nanosheets fabricated by atomic layer depositionBioreactors – fermentation, biofuels, etc.Non-traditional reactor systems: membrane reactors, reactions in SCF Microwave synthesis of materialsNanotechnology Asymmetric nanopores for studies of hindered transport Growth of ultra thin metal alloy films
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 powergeneration and for medium BTU gas-type applications.•Has corrosive contaminants.•Develop a novel, membrane reactor (MR) based, integrated landfill gastreatment system – with an oxidation nanocatalyst.•Want to understand the catalytic combustion.•Develop a better fundamental understanding of the key technical challengesand generate preliminary “proof of concept” experimental data.•Working with industrial partners: Media & Process Technology, Inc.and GC Environmental, Inc.
Low-Temperature High-Efficiency Knudsen Flow Reactor Actual pore length, ~5 micronsLFG NMOC 0.1 micron The stainless steel porous pore diameter support can be heated directlyLFG via resistive heating as shownmolecules here, if the light-off temperature Inlet Outlet is > room temperatureSince the mean free path of gas molecules under atmospheric condition is ~0.1micron, the porous Al2O3 thin film with pore size of 0.1 micron will provide aKnudsen flow regime, where the gas molecules will collide with the catalyst wall Stainless steel support withmore 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 micronStainless steel substrate thickness, which isas support and a heater, coated with highly~2 mm thickness and 50 dispersed catalyst.micron pore opening - Outlet
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.
Engineering and Integration of Polymer Electronic Materials for Alternative EnergiesKenneth 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
Hypothesis Tight interfacial contact of polymer electrolyte with nanostructured photoanode leads to more effective charge transport in dye sensitized solar cells -- LauiCVD chemistry producespolymer electrolytes withtunable composition and ionicconductivityRK Bose & KKS Lau.Chemical Vapor Deposition 15, 150-155 (2009).iCVD physical processingenables pore filling ofpolymer electrolyte inmesoporous anodeS Nejati & KKS Lau.Nano Letters 11, 419-423 (2011).S Nejati & KKS Lau.Thin Solid Films 519, 4551-4554 (2011).Tight integration of iCVDpolymer electrolyte in anodeleads to enhancedsolar efficiency
Flame-based Synthesis of Metal Nanoparticles Sharmach, Papvasilliou and SwihartMetal nanoparticles, e.g. silver and copper, may beused in inks and pastes for displays, photovoltaicdevices, energy storage, electronics applications, incatalysis, thermally conductive fillers, and anti-microbialadditives (e.g., wound dressings).Use flame-based process Lower cost than a plasma or laser based processUse thermal nozzle reactor: separates combustion fromparticle formation by passing hot combustion productsthrough a converging-diverging nozzle -> getextraordinarily 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
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
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
Chemical Process DesignDevelopment of Fundamental Design Methodology Developing global optimization methodologiesApplication 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 17
Innovative Methodologies for Integrated Planning and Scheduling Marianthi Ierapetritou, Rutgers UniversityModern chemical complexes may involve either large integrated complexor multi-site production facilities serving global marketsCoupling of planning and scheduling models across different temporal andspatial scales improve process operationsComputational intensity, model uncertainty and complexity ofmanufacturing processes are roadblocks – have intractable mixed-integerlinear model (MILP) takes too long to solveSolution method based on decomposition principlesUse 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
Integration of Planning and Scheduling Marianthi Ierapetritou, Rutgers University Planning and Scheduling Integration Production Profile Production PlanningEnterprise–Wide Optimization (EWO): Scheduling Detailed schedulingRobust response to global demand to maintainbusiness 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
Enterprise-Wide Optimization Marianthi Ierapetritou, Rutgers University Simulation of a Supply Chain (SC) Network Multi agent-based representationAgent-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.
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, Mendels 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
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
By the mid 90’s, we discovered if we wanted cells to make complex materials (other than a single protein), we needed to redesign metabolic networks. Flux Quantification ANALYSIS Analysis of Flux Control MetabolicMODIFICATIONrecombinant NetworksDNA technology Cell improvement
The Cell as a factory We treat the cell as a chemical factory, with an input and an output. DS A E B C P P1
The big success of metabolic engineering was the production of the antimalarial drug, Artemisinin, done by Jay Keasling. But what we discovered in the process was that we needed better tools to design function into cells ‐‐‐ synthetic biology.
Multi-input Multi-output Cellular Control Christopher Voigt UCSFApplying process control theory in biological systemsSensors on cell surface recognize specific signals(inputs), this is translated into a transcriptional orbehavioral response (outputs)Inputs and outputs are connected by a network ofinteracting proteins, RNA or DNA Call these “genetic circuits” – process signals and function like logic gates, switches and oscillatorsWork here: How genetic circuits integrate information from multiple sensors How integrated circuits choose among multiple possible responsesUse Salmonella regulatory network as model system
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 HostsEdge 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.
Using Systems Biology & Experiment in Cancer Signaling David J. Klinke, West Virginia UniversityMonoclonal antibodies – cancer drugs that targetmolecules unique to cancer cells – promote the deathof cancer cellsWant to understand how cancer cells resist designeffective treatmentsLooking into mechanisms of resistancePosit that cancer cells secrete biochemical cues,signal cells and inhibit drug effectiveness Identify antagonistic cross-talk between malignant cells and cells of the immune systemExperimental and modeling effortCross-disciplinary: biochemical engineering, cancerbiology, pharmacology, etc.
Using Systems Biology & Experiment in Cancer Signaling David Klinke West Virginia University Klinke Mol Cancer 2010 Prior informationTumor ImmuneCell 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 42D‐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 EnrichmentBMC Cancer 2010 Klinke BMC Bioinform 2009 Pr(Predictions | Model, Data) Finley et al. Immunol Cell Bio 2010
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
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 + proteorhodopsinUtilization of light energy to: - proteorhodopsin drive metabolically expensivereactions generate electricityGoal: Light-Energy Conversion in Example: Light-dependent currentEngineered Non-Photosynthetic Bacteria increase in electrochemical chambers containing engineered Shewanella oneidensis expressing proteorhodopsin 32
Water SustainabilityMuch of the World’s population is rapidly runningout of water, both potable and non-potableWe must find “new” sources of water or ways toconserve or reuse what we now haveIn a sense, all of our water is reusedThe “purity” of our water supplies should match toits intended useEnergy is a major user of water and needs to becontrolled As readily available water is depleted, the alternatives may have much larger energy and resource requirements Life Cycle Assessment (LCA) is essential 33
World Population from 1800 to 2100 (Based on UN 2004 projections) 34
Non-Traditional Water SourcesBesides 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 andmining operations Desalination of seawater and brackish waters Wastewater reclamation and reuse Source separation Water conservation (behavioral changes, low-flowdevices, drip irrigation, etc.) 35
Factors Driving Water ReusePopulation growthIncreased urbanizationImprovement in living conditions in developingcountriesWater scarcityIncreased municipal, industrial and agriculturaldemandWater rights argumentsDependence on a single source of supplyTMDLs / nutrient load capsDroughtClimate change 36
Singapore’s NEWaterNEWater is treated wastewaterthat is purified usingmicrofiltration/ultrafiltration andreverse osmosis technologiesand ultraviolet disinfection, inaddition to conventional watertreatment processesFifth reclamation plant recentlyput on-line Now supplying 30% of total water demandCurrent total capacity = 20million MGD (75,700 m3/day) Most is used in industry 37
Water Reuse BenefitsDependable source of supplyReliable, consistent qualityLocally controlled; right to useEnvironmentally friendlyLow capital costs relative to other sources ofsupply Energy Demand by Water SourceAugments existing supplies (kWh/AF) (Source: WateReuse Association) 38
Pharmaceutically Active Compounds(Source: WateReuse Association) 39
Water Reuse IssuesPublic perception / acceptancePerceived chemical risksLack of political supportSometimes cheaper, short-term alternatives areavailableFundingNeed to replace existing urban infrastructureInstitutional barriers between water andwastewater utilitiesClimate changeEnergy / water nexus 40
Water Treatment Requires EnergyTreatment of future water supplies will be energy intensive•Readily accessiblewater supplies havebeen harvested•New tecnologies arerequired to reduceenergy requirements toaccess non-traditionalsources (e.g., impairedwater, brackish water,sea water) Source: EPRI 41
Dynamic Structure and Function of Biofilms for Wastewater Treatment Robert Nerenberg – Univ. of Notre DameDeveloping a Hybrid Membrane-Biofilm Process (HMBP) wherecassettes of air-filled membrane-supported biofilms are intregratedinto an activated sludge tankThese are counter-diffusional biofilms, where the electron donor andacceptor come from opposite sides.Eliminates bubbled aeration, potentially saving over 50% of theelectrical energy requirements of the treatment plant, whileachieving nitrogenremoval and minimizingN2O emissions 42
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 waterDrinking concentratewater 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
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
AIChE Relevant to Chemical Engineering PrioritiesSustainability – Institute forSustainabilityEnergy – Center for EnergyInitiativesWater – Water Advisory BoardBiological Engineering – Society forBiological Engineering Burka, November, 2011 45
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
ITG’s: Addressing Critical Issues of Today and TomorrowCenter for Energy Initiatives Institute for Sustainability Water Advisory Board Society for Biological Engineering
IFS and CEIIfS --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 email@example.comCEI -- 2010 Chair: Dale Keairns Provides an overarching coordination of AIChE energy activities Join an AIChE Division..you are engaged. Contact firstname.lastname@example.org
Highlights IncludeProgram Relevancy and PlansAIChE 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 exhibitsEPA People, Prosperity and the Planet 2011-Partner Promotion of Student Sustainability Projects Selected to be Co-Sponsor for 2010 and 2011Sustainable Packaging Symposium 2011 and 2012 245 Attendees in 2011. Media Partner- Greener Package . Repeat in 2012: AIChE Spring MeetingCertification 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 WorkDOD: 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)
Highlights IncludeProgram Relevancy and PlansFounder Carbon Management UEF grants ‘09, ‘10, ’11 Lead Trans-disciplinary Team AIChE, ASME, AIME, IEEE, ASCE, SME, TMS, SPECarbon Management Technology February 9-12, 2012 Orlando FloridaConferencePeer Reviews Gov: DOE NETL July 2011 Gov: Planned expansion to 2-3/year by 2012 Industry Interest as well for Service on LCA