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: Lasat, Mitch
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) RFA Text |  Recipients Lists
Research Category: Hazardous Waste/Remediation , Targeted Research

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:

  • Dr. Russell Dunn, Consulting Chemical Engineer, McSwain Engineering Inc., Pensacola, FL
  • Dr. Murali Gopalakrishnan, Software Process Engineer, ASPEN Technology, Houston, TX
  • Dr. Gautham Parthasarathy, Senior Process Engineer, Solutia Inc., Springfield, MA
  • Dr. Subhas Sikdar, Director of the Sustainable Technology Division, U.S. EPA, Cincinnati, OH
  • Dr. Anthony Warren, Lead Product Engineer, GE Plastics, Mt. Vernon, IN
  • Ms. Lakeshie Williams, Environmental Engineer, Georgia Pacific, MS

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 : 3 Displayed | Download in RIS Format

Other subproject views: All 9 publications 3 publications in selected types All 3 journal articles
Other center views: All 64 publications 19 publications in selected types All 18 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. CR831276 (Final)
R831276C006 (2004)
  • Abstract: Wiley Online - Abstract
    Exit
  • Journal Article Kazantzi V, Harell D, Gabriel F, Qin X, El-Halwagi MM. Property-based integration for sustainable development. Computer Aided Chemical Engineering 2004;18:1069-1074. CR831276 (Final)
    R831276C006 (2004)
  • Abstract: ScienceDirect - Abstract
    Exit
  • 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. CR831276 (Final)
    R831276C006 (2004)
  • Abstract: ACS - Abstract
    Exit
  • 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,, Scientific Discipline, INTERNATIONAL COOPERATION, Sustainable Industry/Business, POLLUTION PREVENTION, cleaner production/pollution prevention, waste reduction, Environmental Chemistry, Economics and Business, Environmental Engineering, in-process changes, in-process recycling, in-process waste minimization, cleaner production, environmentally conscious manufacturing, green design, recyclable design, environmentally friendly technology, chemical tracking, pollution prevention assessment, clean technology, alternative materials, integrated process design, production processes, environmental simulation and design tools, pollution prevention design, industry pollution prevention research, materials utilization assessment, reuse, environmentally benign alternative, information transfer, property integration, Design for Environment, source reduction, green technology, environmentally conscious design, clean manufacturing designs

    Relevant Websites:

    http://dept.lamar.edu/gchsrc/ Exit

    Progress and Final Reports:

    Original Abstract
  • Final

  • 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).
    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