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2004 Progress Report: Pollution Prevention through Functionality Tracking and Property Integration

EPA Grant Number: R831276C006
Subproject: this is subproject number 006 , established and managed by the Center Director under grant CR831276
(EPA does not fund or establish subprojects; EPA awards and manages the overall grant for this center).
Center: Gulf Coast HSRC (Lamar)
Center Director: Ho, Tho C.
Title: Pollution Prevention through Functionality Tracking and Property Integration
Investigators: El-Halwagi, Mahmoud
Institution: Texas A & M University
EPA Project Officer: Krishnan, Bala S.
Project Period: December 1, 2003 through November 30, 2004
Project Period Covered by this Report: December 1, 2003 through November 30, 2004
Project Amount: Refer to main center abstract for funding details.
RFA: Gulf Coast Hazardous Substance Research Center (Lamar University) (1996)
Research Category: Hazardous Waste/Remediation , Targeted Research

Description:

Objective:

The objective of this research project is to develop a systematic, generally applicable, and property-based design methodology to prevent pollution from processing facilities through a combination of process modification, recycle/reuse, and material substitution. The proposed research will provide new pollution prevention (P2) design rules and tools for the identification of optimal profiling of properties throughout the plant, mixing of streams and their allocation to units, recycle/reuse of waste streams, and modification of process configuration. Furthermore, the devised process design methodology will be integrated with molecular design techniques so as to guide the selection of alternate chemicals and reaction pathways. The specific objectives are to: (1) identify pollution prevention targets and benchmarks ahead of detailed design; (2) develop an integrated understanding of the global interaction of properties throughout the process and how they impact environmental, technical, and economic performance; (3) determine optimum P2 strategies through process modification and recycle/reuse; (4) generate alternate and environmentally benign materials and chemical pathways that satisfy the various property requirements for the process; (5) simultaneously process and design (molecular) for P2 via the property-integration interface; (6) closely interact with industrial experts through an advisory committee (AC) and an Industrial Residency Program; and (7) automate devised techniques via user-friendly computer-aided software.

Progress Summary:

The accomplishments achieved during Year 1 of the project are described below.

Characterization of Key Properties and Functionalities That Impact Process Design and Environmental Performance

A comprehensive review of numerous industrial processes and units has been undertaken to identify the relevance, interrelationships, typical profiles, and performance dependence for a wide variety of properties. The survey has included process-based properties such as vapor pressure, viscosity, density, solubility parameters, boiling point, melting point, heat capacity, surface tension, conductivity, azeotropes, Henry’s coefficient, and so forth. The survey also has covered environmental-based properties such as biological oxygen demand, chemical oxygen demand, volatility, flash point, toxicity (e.g., LD50), color, water solubility, multimedia distribution coefficients, reactivity, ozone-depletion potential, and so forth.

Derivation of Functionality Based Process Models and Integration With Component-Based Models

Design-oriented analysis models for the processing facilities typically are composed of three elements: conservation equations (e.g., balance models for mass, energy, and momentum), constitutive equations (e.g., equations of state, phenomena models, etc.), and performance constraints (e.g., specifications, explicit and implicit feasibility). In the past, these models have been unnecessarily “chemocentric” with the species identity serving as the common thread for the three types of equations. To support the proposed work of property integration, we have started to develop a new generation of process modeling equations that are intended to track properties and functionalities. The key building blocks for these models will be largely componentless. Towards this end several approaches will be adapted and integrated: phenomenological models will be developed by establishing cluster-based performance-property relations. This can be achieved rigorously when constitutive equations, which are functions of intensive variables, are decoupled from species identity and balance equations. Towards this end, the concept of property clustering has been employed to represent the component-free constitutive variables where the compositions and species identity are eliminated from the model by modeling the relevant streams using physical and chemical properties.

Development of Systematic Rules for Waste Recycle/Reuse Strategies

To develop strategies with low/no capital investment, we first have considered direct recycle/reuse solutions with the objective of minimizing waste discharge and reducing usage of fresh resources by rerouting streams. In this case, no new equipment was added to the plant and the problem representation was reduced to a source-sink mapping problem. The sources and sinks were characterized in terms of their property values and constraints. Each source was split into fractions (of unknown flowrate) that are allocated to the various sinks. Environmental discharges were referred to as the “waste” sink. The fresh resource also was allowed to split and was allocated to all sinks but the waste sink. Then, we developed visualization as well as algebraic techniques to determine systematically the optimal waste recycle/reuse strategies.

Advisory Committee Formation and Input

To ensure proper guidance, support, and feedback to the research activities and to discern and foster industrial applicability, an AC has been formed with a pool of excellence of prominent representatives from several leading companies and environmental agencies. The following experts have agreed to serve on the AC and actively participate in the program:

The AC met with Dr. El-Halwagi and his research group on April 28, 2004, reviewed project progress, and provided valuable feedback.

Industrial Residency

Mr. Rubayat Mahmud (a Ph.D. student in Dr. El-Halwagi’s group) has participated in a 3-month industrial residency at Solutia Inc., Springfield, Massachusetts, to work on industrial problems supporting the project and providing valuable feedback and case studies for the project. His residency is cosupervised by Dr. Gautham Parthasarathy (Solutia, Inc., and a member of the AC) and Dr. El-Halwagi. A publication stemming out of the residency is in preparation.

Future Activities:

During Year 2 of the project, we will: (1) identify pollution prevention targets and benchmarks ahead of detailed design; (2) develop an integrated understanding of the global interaction of properties throughout the process and how they impact environmental, technical, and economic performance; (3) determine optimum P2 strategies through process modification and recycle/reuse; (4) generate alternate and environmentally benign materials and chemical pathways that satisfy the various property requirements for the process; (5) simultaneously process and molecularly design for P2 via the property-integration interface; (6) closely interact with industrial experts through an AC and an Industrial Residency Program; and (7) automate devised techniques via user-friendly computer-aided software.


Journal Articles on this Report: 2 Displayed | Download in RIS Format

Other subproject views: All 9 publications 2 publications in selected types All 2 journal articles
Other center views: All 472 publications 140 publications in selected types All 123 journal articles

Type Citation Sub Project Document Sources
Journal Article El-Halwagi MM, Glasgow IM, Qin X, Eden MR. Property integration: componentless design techniques and visualization tools. AIChE Journal 2004;50(8):1854-1869. R831276C006 (2004)
 not available
Journal Article Qin X, Gabriel F, Harell D, El-Halwagi MM. Algebraic techniques for property integration via componentless design. Industrial & Engineering Chemistry Research 2004;43(14):3792-3798. R831276C006 (2004)
 not available
Supplemental Keywords:

property integration, resource conservation, process design, optimization, pollution prevention, waste, ecological risk assessment, environmental engineering, hazardous waste, advanced treatment technologies, bioremediation, contaminated waste sites, groundwater contamination, petroleum contaminants, hydrocarbon, , INTERNATIONAL COOPERATION, Sustainable Industry/Business, Scientific Discipline, POLLUTION PREVENTION, waste reduction, Environmental Engineering, cleaner production/pollution prevention, Environmental Chemistry, Economics and Business, reuse, clean technology, environmental simulation and design tools, pollution prevention design, clean manufacturing designs, functionality tracking, cleaner production, in-process changes, integrated process design, green design, chemical tracking, in-process recycling, in-process waste minimization, Design for Environment, environmentally conscious manufacturing, pollution prevention assessment, property integration, information transfer, environmentally friendly technology, alternative materials, source reduction, production processes, environmentally conscious design, materials utilization assessment, green technology, recyclable design, environmentally benign alternative
Relevant Websites:

http://dept.lamar.edu/gchsrc/ exit EPA

Progress and Final Reports:
Original Abstract


Main Center Abstract and Reports:
CR831276    Gulf Coast HSRC (Lamar)

Subprojects under this Center: (EPA does not fund or establish subprojects; EPA awards and manages the overall grant for this center).
R822721C529 Environmentally Acceptable Endpoints: Risk Based Remediation Using Bioremediation
R822721C552 Degradative Solidification/Stabilization Technology for Chlorinated Hydrocarbons
R822721C569 Treatment and Product Recovery: Supercritical Water Oxidation of Nylon Monomer Manufacturing Waste
R822721C620 Colloidal Fouling of Membranes: Implications in the Treatment of Textile Dye Wastes and Water Reuse
R822721C626 Catalytic Hydroprocessing of Chlorinated Organics
R822721C627 The Interaction of Microbial Activity and Zero Valent Iron Permeable Barrier Technology
R822721C630 Microbial Cometabolism of Recalcitrant Chemicals in Contaminated Air Streams
R822721C633 Catalyst Lifetime Studies for Chlorocarbon Steam Reforming
R822721C635 Electrokinetic/Surfactant-Enhanced Remediation of Hydrophobic Pollutants in Low Permeability Subsurface Environments
R822721C636 Transformation Reactions of Nitroaromatic and Nitrogen Heterocyclic Compounds on Granular Activated Carbon (GAC) Surfaces: Enhancement of GAC Adsorption in Natural and Engineered Environmental Systems
R822721C640 Environmentally Friendly Organic Synthesis in Supercritical Fluids
R822721C645 Development and Evaluation of an Integrated Model to Facilitate Risk-Based Corrective Action at Superfund Sites
R822721C651 Adjustable Biopolymer Chelators for Cadmium, Lead and Mercury
R822721C653 New Electrochemically Smart Catalysts for Hazardous Waste Management and Development of Capillary Electrophoresis for Analysis of their Products
R822721C655 Soil Sampling in South Alabama Oil Fields
R822721C659 Subsurface Contamination Site Characterization via a Computer-Aided Visual Tool
R822721C661 New Insoluble supports for Protein Immobilization for Use in Metalloprotein Affinity Metal Chromatography
R822721C663 Soil Remediation with Ultra-High-Efficiency Hydrocyclones
R822721C669 Solid Acid Catalyzed Alkylation in Supercritical Fluids
R822721C679 Regeneration/Reactivation of Carbon Adsorbents by Radio Frequency (RF) Induction Heating
R822721C687 Improved Halogen Resistance of Catalytic Oxidation
R822721C696 Phytoremediation and Bioremediation of Land Contaminated By PAHs, PCBs, and TNT
R822721C697 Fundamental and Kinetic Investigation of Sorbent Technology for Optimum Mercury Emission Control
R822721C700 Effects of Natural and Cyclic Variations on Contaminant Fate and Transport
R822721C703 Enhancement of DNAPL Dissolution Rates by Dechlorinating Anaerobes
R826694C620 Colloidal Fouling of Membranes: Implications in the Treatment of Textile Dye Wastes and Water Reuse
R826694C625 Enhanced Treatment of DNAPLs Contaminated Soils and Groundwater Using Biosurfactants: In-Situ Bioremediation
R826694C626 Catalytic Hydroprocessing of Chlorinated Wastes
R826694C627 The Interaction of Microbial Activity and Zero Valent Iron Permeable Barrier Technology
R826694C629 Biofiltration of BTEX in Petroleum-Contaminated Soil Remediation Off-Gas
R826694C630 Microbial Cometabolism of Recalcitrant Chemicals in Contaminated Air Streams
R826694C633 Catalyst Lifetime Studies for Chlorocarbon Steam Reforming
R826694C635 Electrokinetic/Surfactant-Enhanced Remediation of Hydrophobic Pollutants in Low Permeability Subsurface Environments
R826694C636 Transformation Reactions of Nitroaromatic and Nitrogen Heterocyclic Compounds on Granular Activated Carbon (GAC) Surfaces: Enhancement of GAC Adsorption in Natural and Engineered Environmental Systems
R826694C640 Environmentally Friendly Organic Synthesis in Supercritical Fluids
R826694C645 Development and Evaluation of an Integrated Model to Facilitate Risk-Based Corrective Action at Superfund Sites
R826694C651 Adjustable Biopolymer Chelators for Cadmium, Lead, and Mercury Remeidation
R826694C659 Subsurface Contamination Site characterization Via a Computer-Aided Visual Tool
R826694C661 New Insoluble supports for Protein Immobilization for Use in Metalloprotein Affinity Metal Chromatography
R826694C669 Solid Acid Catalyzed Alkylation in Supercritical Reaction Media
R826694C679 Regeneration and Reactivation of Carbon Adsorbents by Radio Frequency Induction Heating
R826694C696 Phytoremediation and Bioremediation of Land Contaminated By PAHs, PCBs, and TNT
R826694C697 Fundamental and Kinetic Investigation of Sorbent Technology for Optimum Mercury Emission Control
R826694C700 Effects of Natural Cyclic Variations on Contaminated Fate and Transport
R826694C703 Enhancement of DNAPL Dissolution Rates by Dechlorinating Anaerobes
R826694C705 A Pilot Plant for Producing Mixed Ketones from Waste Biomass
R826694C722 The Effects of an Oily-Phase on VOC Emissions from Industrial Wastewater
R826694C724 Mercury Removal from Stack Gas by Aqueous Scrubbing
R826694C725 Transport, Fate and Risk Implications of Environmentally Acceptable Endpoint Decisions
R826694C731 Development and Application of a Real-Time Optical Sensor for Atmospheric Formaldehyde
R826694C734 An Advanced System for Pollution Prevention in Chemical Complexes
R828598C001 Field Study Abstract: A Model of Ambient Air Pollution in Southeast Texas Using Artificial Neural Network Technology
R828598C002 Hollow Fiber Membrane Bioreactors for Treating Water and Air Streams Contaminated with Chlorinated Solvents
R828598C003 Fugitive Emissions of Hazardous Air Pollutants from On-Site Industrial Sewers
R828598C004 Biofiltration Technology Development
R828598C005 A Risk-Based Decision Analysis Approach for Aquifers Contaminated with DNAPLs
R828598C006 In-Situ Remediation for Contaminated Soils Using Prefabricated Vertical Drains
R828598C007 Membrane Technology Selection System for the Metal Finishing Industry
R828598C008 Sequential Environments for Enhanced Bioremediation of Chlorinated Aliphatic Hydrocarbons
R828598C009 Waste Minimization in the Magnetic Tape Industry: Waterborne Coating Formulations for Magnetic Tape Manufacture
R828598C010 Soil Remediation by Agglomeration with Petroleum Coke
R828598C011 Recovery of Dilute Phosphoric Acid in Waste Streams Using Waste Gas Ammonia: The Regenerative MAP/DAP Process
R828598C012 Stochastic Risk Assessment for Bioremediation
R828598C013 Selective Removal of Heavy Metals from Wastewater by Chelation in Supercritical Fluids
R828598C014 Optimization of Treatment Technologies for Detoxification of PCB Contaminated Soils
R828598C015 Wastewater Remediation by Catalytic Wet Oxidation
R828598C016 Permanence of Metals Containment in Solidified and Stabilized Wastes
R828598C017 Combustion Enhancement by Radial Jet Reattachment - Low Generation of Hazardous Gases and High Thermal Efficiency
R828598C018 A Process To Convert Industrial Biosludge and Paper Fines to Mixed Alcohol Fuels
R828598C019 Homogeneous Catalysis in Supercritical Carbon Dioxide
R828598C020 Ultrasonic Enhancement of the Removal of Heavy Metals
R828598C021 The Binding Chemistry and Leaching Mechanisms of Advanced Solidification/Stabilization Systems for Hazardous Waste Management
R828598C022 Development of an Air-Stripping and UV/H2O2 Oxidation Integrated Process To Treat a Chloro-Hydrocarbon-Contaminated Ground Water
R828598C023 A Comparative Study of Siting Opposition in Two Counties
R828598C024 Sonochemical Treatment of Hazardous Organic Compounds II: Process Optimization and Pathway Studies
R828598C025 Laser Diagnostics of the Combustion Process within a Rotary Kiln Incinerator
R828598C026 Use of Inorganic Ion Exchangers for Hazardous Waste Remediation
R828598C027 Kaolinite Sorbent for the Removal of Heavy Metals from Incinerated Lubricating Oils
R828598C028 Destruction of Chlorinated Hydrocarbons in Process Streams Using Catalytic Steam Reforming
R828598C029 Integrated Process Treatment Train (Bioremediation {Aerobic/Anaerobic} and Immobilization) for Texas Soils Contaminated with Combined Hazardous Wastes
R828598C030 Photo-Oxidation by H2O2/VisUV of Off-Gas Atmospheric Emissions from Industrial and Environmental Remediation Sources
R828598C031 Concentrated Halide Extraction and Recovery of Lead from Soil
R828598C032 Biodegradable Surfactant for Underground Chlorinated Solvent Remediation
R828598C033 A Software Guidance System for Choosing Analytical Subsurface Fate and Transport Models Including a Library of Computer Solutions for the Analytical Models
R828598C034 Hydrodynamic Modeling of Leachate Recirculating Landfill
R828598C035 Measurement of Oxygen Transfer Rate in Soil Matrices
R828598C036 Sorbent Technology for Multipollutant Control During Fluidized Bed Incineration
R828598C037 Pollution Prevention by Process Modification Using On-Line Optimization
R828598C038 Pollution Prevention by Process Modification
R828598C039 Water Solubility and Henry's Law Constant
R828598C040 Transferring Technical Information on Hazardous Substance Research by Publishing on the World Wide Web
R828598C041 Stress Protein Responses to Multiple Metal Exposure in Grass Shrimp
R828598C042 Life-Cycle Environmental Costing for Managing Pollution Prevention in the Chemical and Petroleum Refining Industries: A Cross-Border Approach
R828598C687 Improved Halogen Resistance of Catalytic Oxidation Through Efficient Catalyst Testing
R828598C696 Phytoremediation and Bioremediation of Land Contaminated By PAHs, PCBs, and TNT
R828598C697 Fundamental and Kinetic Investigation of Sorbent Technology for Optimum Mercury Emission Control
R828598C700 Effects of Natural Cyclic Variations on Contaminated Fate and Transport
R828598C703 Enhancement of DNAPL Dissolution Rates by Dechlorinating Anaerobes
R828598C705 A Pilot Plant for Producing Mixed Ketones from Waste Biomass
R828598C722 The Effects of an Oily-Phase on VOC Emissions from Industrial Wastewater
R828598C724 Mercury Removal from Stack Gas by Aqueous Scrubbing
R828598C725 Transport, Fate and Risk Implications of Environmentally Acceptable Endpoint Decisions
R828598C731 Development and Application of a Real Time Optical Sensor for Atmospheric Formaldehyde
R828598C734 An Advanced System for Pollution Prevention in Chemical Complexes
R828598C743 Field Demonstration of Ultrasound Enhancement of Permeable Treatment Walls
R828598C744 Optical Fibers Coated With Titania Membrane/UV-Generating Crystal in a Distributed-Light Photoreactor for VOC Oxidation
R828598C749 Characterization and Modeling of Indoor Particulate Contaminants In a Heavily Industrialized Community
R828598C753 Adsolubilization and Photocatalysis in a Semiconducting Monolithic Reactor for Wastewater Treatment
R828598C754 Remote Detection of Gas Emissions in Industrial Processes
R828598C759 Searching for Optimum Composition of Phosphogypsum: Fly ash: Cement Composites for Oyster Culch Materials
R828598C761 Development of a Phytologically-Based Biosorptive Water Treatment Process
R828598C766 Chlorinated Solvent Impact and Remediation Strategies for the Dry Cleaning Industry
R828598C769 Soil/Sediment Remediation by Hot Water Extraction Combined with In-Situ Wet Oxidation
R828598C771 Fluoracrylate Polymer Supported Ligands as Catalysts for Environmentally Benign Synthesis in Supercritical Fluids
R828598C774 The Feasibility of Electrophoretic Repair of Impoundment Leaks
R828598C777 Surfactant Enhanced Photo-oxidation of Wastewaters
R828598C778 Stationary Power Generation Via Solid Oxide Fuel Cells: A Response to Pollution and Global Warming
R828598C786 Photocatalytic Recovery of Sulfur and Hydrogen From Hydrogen Sulfide
R828598C787 Biosurfactant Produced from Used Vegetable Oil for removal of Metals From Wastewaters and Soils
R828598C789 Genetic Engineering of Enzymatic Cyanide Clearance
R828598C791 Characterizing the Intrinsic Remediation of MTBE at Field Sites
R828598C799 Simultaneous Water Conservation/Recycling/Reuse and Waste Reduction in Semiconductor Manufacturing
R828598C801 Building Defined Mixed Cultures To Biodegrade Diverse Mixtures Of Chlorinated Solvents
R828598C802 Engineering of Nanocrystal Based Catalytic Materials for Hydroprocessing of Halogenated Organics
R828598C807 Commercial Demonstration of Hydrogen Peroxide Injection to Control NOx Emissions from Combustion Sources
R828598C809 Evaluating Source Grouting and ORC for Remediating MTBE Sites
R828598C810 Application of Total Cost Assessment To Process Design In the Chemical Industry
R828598C846 Quantitative Demonstration of Source-Zone Bioremediation in A Field-Scale Experimental Controlled Release System
R831276C001 DNAPL Source Control by Reductive Dechlorination with Fe(II)
R831276C002 Arsenic Removal and Stabilization with Synthesized Pyrite
R831276C003 A Large-Scale Experimental Investigation of the Impact of Ethanol on Groundwater Contamination
R831276C004 Visible-Light-Responsive Titania Modified with Aerogel/Ferroelectric Optical Materials for VOC Oxidation
R831276C005 Development of a Microwave-Induced On-Site Regeneration Technology for Advancing the Control of Mercury and VOC Emissions Employing Activated Carbon
R831276C006 Pollution Prevention through Functionality Tracking and Property Integration
R831276C007 Compact Nephelometer System for On-Line Monitoring of Particulate Matter Emissions
R831276C008 Effect of Pitting Corrosion Promoters on the Treatment of Waters Contaminated with a Nitroaromatic Compounds Using Integrated Reductive/Oxidative Processes
R831276C009 Linear Polymer Chain and Bioengineered Chelators for Metals Remediation
R831276C010 Treatment of Perchlorate Contaminated Water Using a Combined Biotic/Abiotic Process
R831276C011 Rapid Determination of Microbial Pathways for Pollutant Degradation
R831276C012 Simulations of the Emission, Transport, Chemistry and Deposition of Atmospheric Mercury in the Upper Gulf Coast Region
R831276C013 Reduction of Environmental Impact and Improvement of Intrinsic Security in Unsteady-state
R831276C014 Integrated Chemical Complex and Cogeneration Analysis System: Greenhouse Gas Management and Pollution Prevention Solutions
R831276C015 Improved Combustion Catalysts for NOx Emission Reduction
R831276C016 A Large-Scale Experimental Investigation of the Impact of Ethanol on Groundwater Contamination
R831276C017 Minimization of Hazardous Ion-Exchange Brine Waste by Biological Treatment of Perchlorate and Nitrate to Allow Brine Recycle
R831276C018 Integrated Chemical Complex and Cogeneration Analysis System: Greenhouse Gas Management and Pollution Prevention Solutions

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The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Conclusions drawn by the principal investigators have not been reviewed by the Agency.

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