Appendix F
Additional Resources
This appendix is intended to provide a list of supplemental resources to Green Engineering that is readily available on the Internet. It includes resources mentioned in the text as well as support material for more information on related subjects. These resources are categorized by Web Resources, Online Databases, and Software.
Web Resources
US EPA Office of Pollution Prevention and Toxics Green Engineering Program website
The goal of the Green Engineering Program is to incorporate risk related concepts into chemical processes and products designed by academia and industry. This pro-gram targets 4 major sectors: educators, software, industry, and outreach. This website contains information about the Green Engineering textbook and GE Educator’s workshops. It also includes links to software such as Air CHIEF, ChemSTEER, ECOSAR, E-FAST, E-FRAT, EPI SuiteTM, SMILES, TANKS, and UCSS. More information on specific software can be found in the Software section of Appendix F. This website provides direct links to a majority of the resources listed in this appendix.
http://www.epa.gov/oppt/greenengineering
US EPA Office of Pollution Prevention and Toxics Exposure Assessment Tools and Models website
OPPT’s Exposure, Assessment Tools and Models website contains several exposure assessment methods, databases, and predictive models to help in evaluating what happens to chemicals when they are used and released to the environment; and how workers, the general public, consumers, and the aquatic ecosystems may be exposed to chemicals. This site includes links to UCSS, ChemSTEER, EPI SuiteTM, and other software. EPI SuiteTM estimates physical/chemical properties as described in Chapter 5 of this textbook, environmental fate and transport, and includes estimation programs for LogKOW, KOC, Atmospheric Oxidation Potential, Henry’s Law Constant, Water Solubility, Melting Point, Boiling Point, Vapor Pressure, Biodegradation, Bioconcentration Factor, Hydrolysis, Sewage Treatment Plant Removal, Fugacity Modeling, and Multimedia Modeling. ECOSAR, Dermwin, and SMILESCAS database are also included. More information specific software can be found in the Software section of Appendix F.
http://www.epa.gov/oppt/exposure
US EPA Office of Pollution Prevention and Toxics Green Chemistry Program website
The Green Chemistry Program supports fundamental research in the area of environmentally benign chemistry as well as a variety of educational activities, international activities, conferences and meetings, and tool development. The Green Chemistry Program website includes a link (‘Green Chemistry Documents’) to the Green Chemistry Expert System (GCES). More information on this software can be found in the Software section of Appendix F.
http://www.epa.gov/oppt/greenchemistry/
US EPA Office of Pollution Prevention and Toxics Design for the Environment (DfE)
U.S. EPA’s Design for the Environment (DfE) Program helps businesses incorporate environmental considerations into the design and redesign of products, processes, and technical management systems. The Design for the Environment website includes a link to (‘Publications’) Cleaner Technologies Substitutes Assessment (CTSA) Methodology & Resource Guide.
US EPA Office of Pollution Prevention and Toxics Persistent Bioaccumulative and Toxic (PBT) Chemical Program website The P2 Assessment Framework
This site includes a link to the P2 Framework manual. This user-friendly manual provides details on how to use some of the models mentioned in this appendix including ECOSAR, OncoLogic, and EPI SUITETM. The importance of the output of each assessment methodology is discussed, and case studies illustrating how the tools can be used in combination for risk management and pollution prevention strategies are provided.
http://www.epa.gov/oppt/pbt/toolbox.htm
US EPA Office of Pollution Prevention and Toxics Environmental Accounting Project
This web site contains information about the EPA Environmental Accounting Project, including a collection of Environmental Accounting resources. It includes links to overviews, general guidance and software tools, case studies and benchmarking studies, and resources available from other organizations.
http://www.epa.gov/opptintr/acctg
US EPA Office of Air Quality Planning and Standards Technology Transfer Network Clearinghouse for Inventories and Emission Factors (CHIEF)
The CHIEF site provides access to the Emission Inventory Improvement Program document series, the emissions modeling clearinghouse, the PM2.5 Inventory Resource Center, and information on the National Emission Inventory (NEI) for criteria and toxic pollutants. This site includes a free downloadable version of the TANKS software, information about the Air CHIEF software, and links to AP-42 emission factors and L & E documents. FIRE, another EFIG (Emission Factor and Inventory Group) software product contains AP-42 emission factors and can be downloaded off the web page. More information on specific software is available in the Software section of Appendix F.
http://www.epa.gov/ttn/chief/index.html
US EPA Office of Air Quality Planning and Standards Technology Transfer Network Clearinghouse for Inventories and Emission Factors (CHIEF) Locating and Estimating (L & E) Documents
This report series, titled Locating and Estimating Air Toxic Emissions from Sources of (source category or substance) characterizes the source categories for which emissions of a toxic substance have been identified. These volumes include general descriptions of the emitting processes, identifying potential release points and emission factors.
http://www.epa.gov/ttn/chief/le/
US EPA Environmental Information Office TRI (Toxics Release Inventory)
This publicly accessible toxic chemical database known as the Toxics Release Inventory (TRI), contains information concerning waste management activities and the release of toxic chemicals by facilities that manufacture, process, or otherwise use said materials.
US EPA Office of Research and Development (ORD) Systems Analysis Branch (SAB)
The SAB’s research programs in pollution prevention, life cycle assessment, and computer tooling develop and demonstrate cost-effective decision-making tools. Such tools integrate environmental solutions, life cycle concepts, value engineering, environmental engineering, economics, trade-offs and pollution prevention factors. ORD has CRADAs (Cooperative Research and Development Agreements) involving both WAR and PARIS II. This website includes information on WAR. More information on software programs can be found in the Software section of Appendix F.
http://www.epa.gov/ORD/NRMRL/std/sab/index.html
US EPA Office of Research and Development National Health and Environmental Effects Laboratory SMILES Simplified Molecular Input Line Entry System Tutorial
SMILES notation is used in EPI Suite
models. SMILES (Simplified Molecular Input Line Entry System) is a chemical notation that allows a user to represent a chemical structure in a way that can be used by the computer.
http://www.epa.gov/medatwrk/databases/smiles.html
US EPA Enviro$en$e
Enviro$en$e provides a single repository for pollution prevention, compliance assurance, and enforcement information and databases. The Enviro$en$e website includes a link to Solvent Substitution Data Systems (SSDS). More information on some of the databases included in Envio$en$e can be found in the Online Data-base section of Appendix F.
US EPA Terminology Reference System (TRS)
The EPA Terminology Reference System (TRS) has been created as a single resource of environmental terminology for the Agency by compiling collections of terms from EPA and other sources.
http://www.epa.gov/trs/index.htm
American Institute of Chemical Engineers (AIChE)
AIChE is a professional association of more than 50,000 members that provides leadership in advancing the chemical engineering profession. The AIChE website includes links to the AIChE Total Cost Assessment Manual and DIPPR data.
AIChE CWRT Total Cost Assessment Manual (TCA)
The Center for Waste Reduction Technologies (CWRT) provides access to technologies and management tools supporting sustainable growth, environmental stewardship, and Responsible Care®. The TCA provides an approach to analyze life cycle costs and benefits related to industrial environmental safety and health issues. These methods are utilized in Chapter 12.
http://www.aiche.org/cwrt/projects/cost.htm
AIChE Design Institute for Physical Property Data (DIPPR)®
DIPPR develops and evaluates physical and environmental property data. This website includes information on various DIPPR projects including Project 911, Environmental, Safety and Health (ESH) Data Compilation. The goal of DIPPR Project 911 is to develop a comprehensive, critically evaluated database of regulated chemical species that are important to the chemical process industry. Michigan Technological University is coordinating this project.
Alternative Fluorocarbons Environmental Acceptability Study
The environmentally important properties of HCFCs and HFCs were reviewed by the Alternative Fluorocarbons Environmental Acceptability Study (AFEAS) in 1989. This site provides the results of this study.
American Conference of Governmental Industrial Hygienists (ACGIH)
This organization publishes workplace chemical exposure concentration limits, Threshold Limit Values (TLVs), which are voluntary, unlike the legally enforceable OSHA PELs. The documentation for the TLVs contains detailed information on the relevant toxicity and exposure concerns related to each chemical with an established TLV.
ChemAlliance Regulatory Tour
ChemAlliance supplies regulatory information to the chemical process industry. This site provides an overview of environmental regulations and what each law requires.
http://www.chemalliance.org/RegTools/regtour/index.asp
MSDS Material Safety Data Sheets
There are many sources for MSDS information on the Internet. The two listed here provide a good starting point. The first site offers general information about MSDS and links to other sites that contain MSDS. The second site contains a searchable online database of MSDS.
NIOSH National Institute for Occupational Safety and Health
This organization performs research for OSHA, the Occupational Safety and Health Administration. The website includes links to databases including the NIOSH Pocket Guide. This resource provides general safety and health information, some chemical properties, OSHA Permissible Exposure Limit concentrations, or PELs, and NIOSH Recommended Exposure Limit concentrations, or RELs.
National Oceanic and Atmospheric Administration (NOAA), Climate Monitoring and Diagnostics Laboratory
The Climate Monitoring and Diagnostics Laboratory (CMDL) of the National Oceanic and Atmospheric Administration conducts research related to atmospheric constituents that are capable of forcing change in the climate of the Earth or that may deplete the ozone layer. CMDL monitors greenhouse gases, aerosols, ozone, ozone-depleting gases and solar and terrestrial radiation at global sites including four Baseline Observatories.
US Department of Labor Occupational Safety and Health Administration (OSHA)
OSHA’s mission is to prevent work-related injuries, illnesses, and deaths. This website includes OSHA facts and history, programs and services, information on state plans, and federal regulation citations. Regulatory citations include PELs (Permissible Exposure Limits), which are the legally enforceable workplace chemical exposure limits promulgated by OSHA.
Online Databases
Chemical Health and Safety Data National Toxicology Program (NTP)
The National Toxicology Program (NTP) has collected health and safety information on thousands of chemicals. This database includes CAS numbers, and primary synonyms for individual chemicals.
http://www.ntp-server.niehs.nih.gov/Main_Pages/Chem-HS.html
Coating Alternative Guide (CAGE)
Coatings GuideTM is a pollution prevention tool for paints and coatings users. The Coatings GuideTM contains several tools to help users identify low-volatile organic compound/hazardous air pollutant coatings that may serve as drop-in replacements for existing coating operations.
The Cumulative Exposure Project—Toxicity Database
This database is a compilation of toxicity data from federal and state agencies for contaminants that were considered in EPA’s Cumulative Exposure Project. The database is an extensive compilation of both quantitative data, including peer-reviewed benchmark values and values derived from the primary literature, and qualitative information on health effects (e.g. identification of a HAP as a potential human carcinogen). The database contains a user-friendly interface designed to provide quick and easy access to desired health effects information.
http://www.epa.gov/CumulativeExposure/resource/toxdata.htm
ECOTOX Database System US EPA Office of Research and Development (ORD)National Health and Environmental Effects Research Laboratory (NHEERL)
The ECOTOXicology database is a source for locating single chemical toxicity data for aquatic life, terrestrial plants and wildlife. ECOTOX integrates three toxicology effects databases: AQUIRE (aquatic life), PHYTOTOX (terrestrial plants), and TERRETOX (terrestrial wildlife).
Envirofacts US EPA Office of Environmental Information
This website provides access to several EPA databases that provide you with information about environmental activities that may affect air, water, and land anywhere in the United States.
http://www.epa.gov/enviro/index.html
Environmental Fate Database Syracuse Research Corporation (SRC)
As co developer of EPI SuiteTM, Syracuse Research Corporation has data on many chemical properties relevant to environmental fate.
http://www.esc-plaza.syrres.com/efdb.htm
Enviro$en$e Solvent Substitution Data Systems US EPA
This web page contains links to several databases, including the Integrated Solvent Substitution Data System (ISSDS), the Solvent Alternatives Guide (SAGE), and the Solvents Database (SOLV-DB).
http://www.es.epa.gov/ssds/ssds.html
The Hazardous Substances Data Bank (HSDB®)
The Hazardous Substances Data Bank (HSDB®) from the National Library of Medicine is a toxicology data file that focuses on the toxicology of potentially hazardous chemicals. It is enhanced with information on human exposure, industrial hygiene, emergency handling procedures, environmental fate, regulatory requirements, and related areas.
http://www.chem.sis.nlm.nih.gov/chemidplus/setupenv.html
Health Effects Notebook for Hazardous Air Pollutants US EPA Office of Air and Radiation Office of Air Quality Planning and Standards
The Health Effects Notebook for Hazardous Air Pollutants includes data such as LC50s, Threshold Limit Values and Permissible Exposure Levels (see Chapter 8) for approximately 200 chemicals.
http://www.epa.gov/ttn/atw/hapindex.html
IRIS Integrated Risk Information System US EPA Office of Research and Development National Center for Environmental Assessment
IRIS is a database of human health effects that may result from exposure to various substances found in the environment. Data, analysis, and uncertainty characterizations are provided for hundreds of common chemicals.
http://www.epa.gov/iriswebp/iris/index.html
ISSDS Integrated Solvent Substitution Data System
ISSDS facilitates access to solvent alternative information from multiple data systems through a single, easy to use command structure. The data collections available under ISSDS include SAGE, HSSDS, CAGE, and Pollution Prevention Case Studies.
NIOSH Pocket Guide to Chemical Hazards.
The Pocket Guide includes safety information, some chemical properties, OSHA Permissible Exposure Limit concentrations, or PELs, and NIOSH Recommended Exposure Limit concentrations, or RELs.
http://www.cdc.gov/niosh/npg/npg.html
SAGE Solvent Alternative Guide
SAGE is a comprehensive guide designed to provide pollution prevention information on solvent and process alternatives for parts cleaning and degreasing. SAGE can be found on Enviro$en$e Solvent Substitution Data System
http://www.es.epa.gov/ssds/ssds.html
Or on
SOLV-DB® National Center for Manufacturing Sciences (NCMS)
The Solvent Database includes data on physical and chemical properties, environ-mental fate and regulation of solvents.
http://www.solvdb.ncms.org/solvdb.htm
TOXNET
TOXNET is a cluster of databases available from the National Library of Medicine on toxicology, hazardous chemicals, and related areas. Both IRIS and the HSDB are available through TOXNET.
http://www.toxnet.nlm.nih.gov/
TRIAGE Chemical Studies Database US EPA Office of Pollution Prevention and Toxics
This is a searchable database of scientific studies on the health and environmental effects of chemicals.
http://www.epa.gov/docs/8e_triag/
Software
Air CHIEF
The Air Clearing House for Inventories and Emission Factors CD-ROM gives users access to air emission data specific to estimating the types and quantities of pollutants that may be emitted from a wide variety of sources. Updated annually, Air CHIEF contains pages from EPA’s most widely used documents as well as the US EPA’s Emission Factor and Inventory Group’s emission estimation tools. In-formation on Air CHIEF and how to order it in CD-ROM format is available under the Software and Tools link on the EPA’s TTN CHIEF Page.
http://www.epa.gov/ttn/chief/index.html
ChemSTEER: A Software Tool for Screening Level Estimates of Environmental Release and Worker Exposure
The Chemical Screening Tool for Exposures and Environmental Releases is a personal computer-based software program that uses the U. S. Environmental Protection Agency (EPA) Office of Pollution Prevention and Toxics’ most current workplace exposure and release assessment methods. The tool generates screening-level estimates of environmental releases of and worker exposures to a chemical manufactured and used in industrial and commercial workplaces. A draft version of ChemSTEER is available at:
http://www.epa.gov/oppt/exposure/docs/chemsteer.htm
ECOSAR Ecological Structure Activity Relationships
ECOSAR estimates the toxicity of chemicals used in industry and discharged into water. The program predicts the toxicity of industrial chemicals to aquatic organisms such as fish, invertebrates, and algae by using Structure Activity Relationships (SARs). The program estimates a chemical’s acute (short-term) toxicity and, when available, chronic (long-term or delayed) toxicity.
http://www.epa.gov/oppt/newchems/21ecosar.htm
E-FAST Exposure & Fate Assessment Screening Tool
E-FAST provides screening-level estimates of the concentrations of chemicals released to air, surface water, landfills, and from consumer products. Estimates provided are potential inhalation, dermal and ingestion dose rates resulting from these releases. Modeled estimates of concentrations and doses are designed to reasonably overestimate exposures, for use in screening level assessment.
http://www.epa.gov/oppt/exposure/docs/efast.htm
EFRAT Environmental Fate and Risk Assessment Tool
EFRAT is a process design software tool to estimate environmental and health im-pacts of chemical process design options through a combination of screening-level fate and transport calculations and risk assessment indices. EFRAT is intended to be used for the evaluation of a chemical process flowsheet in conjunction with a commercial chemical process simulator (e.g. HYSYS). Information on EFRAT is available from the Green Engineering website and the following link.
http://www.es.epa.gov/ncerqa_abstracts/centers/cencitt/year3/process/shonn2.html
EPI SuiteTM
The EPI (estimation program interface) SuiteTM is a Windows® based suite of physical/chemical property and environmental fate estimation models developed by the EPA’s Office of Pollution Prevention and Toxics and Syracuse Research Corporation (SRC). EPI SuiteTM uses a single input for a chemical’s structure to run the following estimation models: KOWWINTM, AOPWINTM, HENRYWINTM, MPBPWINTM, BIOWINTM, PCKOCWINTM, WSKOWWINTM, BCFWINTM, HYDROWINTM, STPWINTM, WVOLWINTM, and LEV3EPITM. These models can be divided into two categories, models to estimate physical-chemical proper-ties and models to estimate environmental fate. EPI SuiteTM also includes the SMILESCAS database, which allows the user to input either in SMILES (Simplified Molecular Input Line Entry System) notation, or using a CAS number.
These models within EPI SuiteTM can be used to estimate environmental fate:
These models can be used to estimate physical/chemical properties:
AOPWINTM | Estimates the gas-phase reaction rate for the reaction between the most prevalent atmospheric oxidant, hydroxyl radicals, and a chemical. |
BIOWINTM | Estimates aerobic biodegradability of organic chemicals using 6 different models; two of these are the original Biodegradation Probability Program (BPPTM). |
HYDROWINTM | Acid- and base-catalyzed hydrolysis constants for specific organic classes are estimated by HYDROWINTM. A chemical’s hydrolytic half-life under typical environmental conditions is also determined. |
LEV3EPITM | This level III fugacity model predicts partitioning of chemicals between air, soil, sediment, and water under steady state conditions for a default model “environment”; various defaults can be changed by the user. |
STPWINTM | Using several outputs from EPIWIN, this program predicts the removal of a chemical in a Sewage Treatment Plant; values are given for the total removal and three contributing processes (biodegradation, sorption to sludge, and stripping to air.) for a standard system and set of operating conditions. |
Estimates the rate of volatilization of a chemical from rivers and lakes; calculates the half-life for these two processes from their rates. The model makes certain default assumptions–water body depth, wind velocity, etc. |
A downloadable version of EPI SuiteTM is available on the Exposure Assessment Tools and Models website.
http://www.epa.gov/oppt/exposure/docs/episuite.htm
FIRE Factor Information Retrieval Data System
The Factor Information Retrieval Data System is a database management system containing EPA’s recommended emission estimation factors for criteria and hazardous air pollutants. FIRE includes information about industry emissions and emission factors including AP-42. FIRE is available under the Software and Tools link on the EPA’s TTN CHIEF Page.
http://www.epa.gov/ttn/chief/software/fire/index.html
Green Chemistry Expert System (GCES)
The Green Chemistry Expert System (GCES) allows users to assess existing processes, build a green chemical process, design a green chemical, or survey the field of green chemistry. The system is equally useful for new and existing chemicals and their synthetic processes. It includes extensive documentation. A free downloadable version of this software is available on the Green Chemistry website.
http://www.epa.gov/greenchemistry/tools.html
Mackay Level III Version 2.20
This model gives a description of a chemical’s fate in the environment including the important degradation and advection losses and the intermedia transport processes. Physical-chemical properties are used to quantify a chemical’s behavior in an evaluative environment. This Level III simulation is based on the publication by Mackay, Donald (1991), “Multimedia Environmental Models: The Fugacity Approach,” Lewis Publishers, CRC Press, Boca Raton, FL. Information on this program and a free downloadable version is available at this site.
http://www.trentu.ca/academic/aminss/envmodel/VBL3.html
OncoLogic®
OncoLogic® predicts the potential carcinogenicity of chemicals by applying the rules of structure-activity relationship (SAR) analysis, and incorporating what is known about mechanisms of action and human epidemiological studies. A free downloadable DOS version of the software is available.
http://www.logichem.com/index.html#onco
PARIS II Program for Assisting the Replacement of Industrial Solvents
PARIS II is a program incorporating solvent design using the WINDOWS operating system. The solvent design capability allows the user to match or to enhance desirable solvent properties while simultaneously suppressing undesirable ones such as, for example, toxicity. The composition is manipulated by a solvent search algorithm aided by a library of routines with the latest fluid property prediction techniques, and by another library of routines for calculating solvent performance requirements. The program contains a database of solvents, and lists of solvent properties and solvent performance requirements. PARIS II was developed within EPA/ORD and is being marketed through a CRADA (a Cooperative Research and Development Agreement) between EPA/ORD and Technical Database Services, Inc. A Demo version is available under the link for PARIS II on this website.
TANKS
TANKS is a program that estimates emissions from the two major loss mechanisms, working and standing losses, for the four major types of storage tanks, fixedroof, floating roof, variable-vapor-space, and pressurized tanks. TANKS is available under the Software and Tools link on the EPA’s TTN CHIEF Page.
http://www.epa.gov/ttn/chief/software/tanks/index.html
UCSS
Use Clusters Scoring System identifies and screens clusters of chemicals (“use clusters”) that are used to perform a particular task. A use cluster is a set of chemicals that may be substituted for one another in performing a given task. It also identifies clusters of potential concern and provides an initial ranking of chemicals using human and environmental hazard and exposure data from a number of sources.
http://www.epa.gov/oppt/exposure/docs/ucss.htm
WAR WAste Reduction Algorithm
The method is based on a potential environmental impact balance for chemical processes. Potential environmental impact index is defined as the environmental and human health impact of the waste produced per unit time or mass of a product. This index is used to provide a relative, quantitative measure of the impact of the generated waste within a chemical process; this measure is then compared to indexes from other possible designs for the same chemical process to arrive at an environmentally friendly design for the process. This program was developed within EPA/ORD. WAR software is being developed and marketed under a CRADA (a Cooperative Research and Development Agreement) between EPA/ORD and Horizon Technologies.
More information on this program is available at: