Sample records for program chemical processes

  1. Process Operations Program is the First of Its Kind

    ERIC Educational Resources Information Center

    Elements of Technology, 1973

    1973-01-01

    The goal of the program is to produce a graduate with the technical background and expertise necessary for direct entry into a process operator training program in a petro-chemical plant. It is a unique program offered through Lambton College, Canada, in co-operation with the process industries in Sarnia's "Chemical Valley". (Author/DS)

  2. A Program in Semiconductor Processing.

    ERIC Educational Resources Information Center

    McConica, Carol M.

    1984-01-01

    A graduate program at Colorado State University which focuses on integrated circuit processing is described. The program utilizes courses from several departments while allowing students to apply chemical engineering techniques to an integrated circuit fabrication research topic. Information on employment of chemical engineers by electronics…

  3. 40 CFR 68.65 - Process safety information.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... (CONTINUED) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.65 Process safety... data; (4) Reactivity data: (5) Corrosivity data; (6) Thermal and chemical stability data; and (7...; (ii) Process chemistry; (iii) Maximum intended inventory; (iv) Safe upper and lower limits for such...

  4. Pilot Plants Enhance Brazosport Lab Courses.

    ERIC Educational Resources Information Center

    Krieger, James

    1986-01-01

    Describes an experiential lab program for a two-year college's chemical technology program. Discusses student experiences in six miniature pilot plants that represent the essential instrumentation and chemical processes found in the chemical industry. Recognizes the industries that helped implement the program. (TW)

  5. An Approach to Help Departments Meet the New ABET Process Safety Requirements

    ERIC Educational Resources Information Center

    Vaughen, Bruce K.

    2012-01-01

    The proposed program criteria changes by the Accreditation Board for Engineering and Technology, Inc. (ABET), for chemical, biochemical, biomolecular, and similarly named programs includes a fundamental awareness expectation of the hazards involved in chemical processing for a graduating chemical engineer. As of July 2010, these four new words…

  6. Chemical Hygiene Program

    NASA Technical Reports Server (NTRS)

    Mayor, Antoinette C.

    1999-01-01

    The Chemical Management Team is responsible for ensuring compliance with the OSHA Laboratory Standard. The program at Lewis Research Center (LeRC) evolved over many years to include training, developing Standard Operating Procedures (SOPS) for each laboratory process, coordinating with other safety and health organizations and teams at the Center, and issuing an SOP binder. The Chemical Hygiene Policy was first established for the Center. The Chemical Hygiene Plan was established and reviewed by technical, laboratory and management for viability and applicability to the Center. A risk assessment was conducted for each laboratory. The laboratories were prioritized by order of risk, higher risk taking priority. A Chemical Management Team staff member interviewed the lead researcher for each laboratory process to gather the information needed to develop the SOP for the process. A binder containing the Chemical Hygiene Plan, the SOP, a map of the laboratory identifying the personal protective equipment and best egress, and glove guides, as well as other guides for safety and health. Each laboratory process has been captured in the form of an SOP. The chemicals used in the procedure have been identified and the information is used to reduce the number of chemicals in the lab. The Chemical Hygiene Plan binder is used as a training tool for new employees. LeRC is in compliance with the OSHA Standard. The program was designed to comply with the OSHA standard. In the process, we have been able to assess the usage of chemicals in the laboratories, as well as reduce or relocate the chemicals being stored in the laboratory. Our researchers are trained on the hazards of the materials they work with and have a better understanding of the hazards of the process and what is needed to prevent any incident. From the SOP process, we have been able to reduce our chemical inventory, determine and implement better hygiene procedures and equipment in the laboratories, and provide specific training to our employees. As a result of this program, we are adding labeling to the laboratories for emergency responders and initiating a certified chemical user program.

  7. Energy Conversion and Storage Program

    NASA Astrophysics Data System (ADS)

    Cairns, E. J.

    1993-06-01

    This report is the 1992 annual progress report for the Energy Conversion and Storage Program, a part of the Energy and Environment Division of the Lawrence Berkeley Laboratory. Work described falls into three broad areas: electrochemistry; chemical applications; and materials applications. The Energy Conversion and Storage Program applies principles of chemistry and materials science to solve problems in several areas: (1) production of new synthetic fuels, (2) development of high-performance rechargeable batteries and fuel cells, (3) development of advanced thermochemical processes for energy conversion, (4) characterization of complex chemical processes and chemical species, and (5) study and application of novel materials for energy conversion and transmission. Projects focus on transport-process principles, chemical kinetics, thermodynamics, separation processes, organic and physical chemistry, novel materials, and advanced methods of analysis. Electrochemistry research aims to develop advanced power systems for electric vehicle and stationary energy storage applications. Chemical applications research includes topics such as separations, catalysis, fuels, and chemical analyses. Included in this program area are projects to develop improved, energy-efficient methods for processing product and waste streams from synfuel plants, coal gasifiers, and biomass conversion processes. Materials applications research includes evaluation of the properties of advanced materials, as well as development of novel preparation techniques. For example, techniques such as sputtering, laser ablation, and poised laser deposition are being used to produce high-temperature superconducting films.

  8. 40 CFR 68.170 - Prevention program/Program 2.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... the process. (c) The name(s) of the chemical(s) covered. (d) The date of the most recent review or... (CONTINUED) CHEMICAL ACCIDENT PREVENTION PROVISIONS Risk Management Plan § 68.170 Prevention program/Program... of completion of the most recent hazard review or update. (1) The expected date of completion of any...

  9. 40 CFR 68.170 - Prevention program/Program 2.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... the process. (c) The name(s) of the chemical(s) covered. (d) The date of the most recent review or... (CONTINUED) CHEMICAL ACCIDENT PREVENTION PROVISIONS Risk Management Plan § 68.170 Prevention program/Program... of completion of the most recent hazard review or update. (1) The expected date of completion of any...

  10. 40 CFR 68.170 - Prevention program/Program 2.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... the process. (c) The name(s) of the chemical(s) covered. (d) The date of the most recent review or... (CONTINUED) CHEMICAL ACCIDENT PREVENTION PROVISIONS Risk Management Plan § 68.170 Prevention program/Program... of completion of the most recent hazard review or update. (1) The expected date of completion of any...

  11. 40 CFR 68.65 - Process safety information.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... (CONTINUED) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.65 Process safety... data; (4) Reactivity data: (5) Corrosivity data; (6) Thermal and chemical stability data; and (7... operator shall document that equipment complies with recognized and generally accepted good engineering...

  12. RMP Guidance for Chemical Distributors - Chapter 6: Prevention Program (Program 2)

    EPA Pesticide Factsheets

    If your processes are ineligible for Program 1 and you have substances above the threshold that are not covered by OSHA’s Process Safety Management standard, you have Program 2 processes and Prevention Program applies.

  13. Near-miss incident management in the chemical process industry.

    PubMed

    Phimister, James R; Oktem, Ulku; Kleindorfer, Paul R; Kunreuther, Howard

    2003-06-01

    This article provides a systematic framework for the analysis and improvement of near-miss programs in the chemical process industries. Near-miss programs improve corporate environmental, health, and safety (EHS) performance through the identification and management of near misses. Based on more than 100 interviews at 20 chemical and pharmaceutical facilities, a seven-stage framework has been developed and is presented herein. The framework enables sites to analyze their own near-miss programs, identify weak management links, and implement systemwide improvements.

  14. Status summary of chemical processing development in plutonium-238 supply program

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Collins, Emory D.; Benker, Dennis; Wham, Robert M.

    This document summarizes the status of development of chemical processing in the Plutonium-238 Supply Program (PSP) near the end of Demonstration 1. The objective of the PSP is “to develop, demonstrate, and document a production process that meets program objectives and to prepare for its operation” (Frazier et al. 2016). Success in the effort includes establishing capability using the current infrastructure to produce Np targets for irradiation in Department of Energy research reactors, chemically processing the irradiated targets to separate and purify the produced Pu and transferring the PuO 2 product to Los Alamos National Laboratory (LANL) at an averagemore » rate of 1.5 kg/y.« less

  15. Illinois Occupational Skill Standards: Chemical Process Technical Operators.

    ERIC Educational Resources Information Center

    Illinois Occupational Skill Standards and Credentialing Council, Carbondale.

    This document, which is intended for workforce preparation program providers, details the Illinois Occupational Skill Standards for programs preparing students for employment as chemical process technical operators. The document begins with a brief overview of the Illinois perspective on occupational skill standards and credentialing, the process…

  16. SITE PROGRAM DEMONSTRATION ECO LOGIC INTERNATIONAL GAS-PHASE CHEMICAL REDUCTION PROCESS, BAY CITY, MICHIGAN TECHNOLOGY EVALUATION REPORT

    EPA Science Inventory

    The SITE Program funded a field demonstration to evaluate the Eco Logic Gas-Phase Chemical Reduction Process developed by ELI Eco Logic International Inc. (ELI), Ontario, Canada. The Demonstration took place at the Middleground Landfill in Bay City, Michigan using landfill wa...

  17. 40 CFR 372.20 - Process for modifying covered chemicals and facilities.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... chemicals and facilities. 372.20 Section 372.20 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) SUPERFUND, EMERGENCY PLANNING, AND COMMUNITY RIGHT-TO-KNOW PROGRAMS TOXIC CHEMICAL RELEASE REPORTING: COMMUNITY RIGHT-TO-KNOW Reporting Requirements § 372.20 Process for modifying covered chemicals...

  18. DEVELOPING COMPUTATIONAL TOOLS FOR PREDICTING CHEMICAL FATE, METABOLISM, AND TOXICITY PATHWAYS

    EPA Science Inventory

    ORD's research program in Computational Toxicology (CompTox) will enable EPA Program Offices and other regulators to prioritize and reduce toxicity-testing requirements for potentially hazardous chemicals. The CompTox program defines the "toxicity process" as follows : 1) a stre...

  19. Appropriate Programs for Foreign Students in U.S. Chemical Engineering Curricula.

    ERIC Educational Resources Information Center

    Findley, M. E.

    Chemical engineers in developing countries may need abilities in a number of diverse areas including management, planning, chemistry, equipment, processes, politics, and improvisation. Chemical engineering programs for foreign students can be arranged by informed advisers with student input for inclusion of some of these areas in addition to…

  20. Chemical Equilibrium And Transport (CET)

    NASA Technical Reports Server (NTRS)

    Mcbride, B. J.

    1991-01-01

    Powerful, machine-independent program calculates theoretical thermodynamic properties of chemical systems. Aids in design of compressors, turbines, engines, heat exchangers, and chemical processing equipment.

  1. Advanced physical-chemical life support systems research

    NASA Technical Reports Server (NTRS)

    Evanich, Peggy L.

    1988-01-01

    A proposed NASA space research and technology development program will provide adequate data for designing closed loop life support systems for long-duration manned space missions. This program, referred to as the Pathfinder Physical-Chemical Closed Loop Life Support Program, is to identify and develop critical chemical engineering technologies for the closure of air and water loops within the spacecraft, surface habitats or mobility devices. Computerized simulation can be used both as a research and management tool. Validated models will guide the selection of the best known applicable processes and in the development of new processes. For the integration of the habitat system, a biological subsystem would be introduced to provide food production and to enhance the physical-chemical life support functions on an ever-increasing basis.

  2. DESIGNING GREENER SOLVENTS

    EPA Science Inventory

    Computer-aided design of chemicals and chemical mixtures provides a powerful tool to help engineers identify cleaner process designs and more-benign alternatives to toxic industrial solvents. Three software programs are discussed: (1) PARIS II (Program for Assisting the Replaceme...

  3. RMP Guidance for Chemical Distributors - Chapter 7: Prevention Program (Program 3)

    EPA Pesticide Factsheets

    The OSHA Process Safety Management program has legal authority for on-site consequences, EPA's Prevention Program for offsite consequences, so your process hazard analysis (PHA) team may have to assess new hazards to the public and offsite environment.

  4. Using a Readily Available Commercial Spreadsheet to Teach a Graduate Course on Chemical Process Simulation

    ERIC Educational Resources Information Center

    Clarke, Matthew A.; Giraldo, Carlos

    2009-01-01

    Chemical process simulation is one of the most fundamental skills that is expected from chemical engineers, yet relatively few graduates have the opportunity to learn, in depth, how a process simulator works, from programming the unit operations to the sequencing. The University of Calgary offers a "hands-on" postgraduate course in…

  5. Specific and Optional Curriculum: An Experience in the Undergraduate Program of Chemical Engineering in Cienfuegos University, Cuba

    ERIC Educational Resources Information Center

    Martínez, Yolanda García; Velázquez, Claudia Alvarado; Castillo, Rolando Delgado

    2016-01-01

    This paper pursues to define the pillars for designing the specific (SC) and optional curricula (OC) of Unit Operations and Processes (UOP) Discipline in the Chemical Engineering Program. To achieve this objective a methodology was developed, which was characterized by the participation of every member in the educational process: professors,…

  6. 9 CFR 416.4 - Sanitary operations.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... compounds, sanitizing agents, processing aids, and other chemicals used by an establishment must be safe and effective under the conditions of use. Such chemicals must be used, handled, and stored in a manner that... a chemical's use in a food processing environment must be available to FSIS inspection program...

  7. 9 CFR 416.4 - Sanitary operations.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... compounds, sanitizing agents, processing aids, and other chemicals used by an establishment must be safe and effective under the conditions of use. Such chemicals must be used, handled, and stored in a manner that... a chemical's use in a food processing environment must be available to FSIS inspection program...

  8. 9 CFR 416.4 - Sanitary operations.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... compounds, sanitizing agents, processing aids, and other chemicals used by an establishment must be safe and effective under the conditions of use. Such chemicals must be used, handled, and stored in a manner that... a chemical's use in a food processing environment must be available to FSIS inspection program...

  9. 9 CFR 416.4 - Sanitary operations.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... compounds, sanitizing agents, processing aids, and other chemicals used by an establishment must be safe and effective under the conditions of use. Such chemicals must be used, handled, and stored in a manner that... a chemical's use in a food processing environment must be available to FSIS inspection program...

  10. ACToR Chemical Structure processing using Open Source ...

    EPA Pesticide Factsheets

    ACToR (Aggregated Computational Toxicology Resource) is a centralized database repository developed by the National Center for Computational Toxicology (NCCT) at the U.S. Environmental Protection Agency (EPA). Free and open source tools were used to compile toxicity data from over 1,950 public sources. ACToR contains chemical structure information and toxicological data for over 558,000 unique chemicals. The database primarily includes data from NCCT research programs, in vivo toxicity data from ToxRef, human exposure data from ExpoCast, high-throughput screening data from ToxCast and high quality chemical structure information from the EPA DSSTox program. The DSSTox database is a chemical structure inventory for the NCCT programs and currently has about 16,000 unique structures. Included are also data from PubChem, ChemSpider, USDA, FDA, NIH and several other public data sources. ACToR has been a resource to various international and national research groups. Most of our recent efforts on ACToR are focused on improving the structural identifiers and Physico-Chemical properties of the chemicals in the database. Organizing this huge collection of data and improving the chemical structure quality of the database has posed some major challenges. Workflows have been developed to process structures, calculate chemical properties and identify relationships between CAS numbers. The Structure processing workflow integrates web services (PubChem and NIH NCI Cactus) to d

  11. 40 CFR 68.69 - Operating procedures.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.69 Operating procedures. (a) The... presented by, the chemicals used in the process; (ii) Precautions necessary to prevent exposure, including engineering controls, administrative controls, and personal protective equipment; (iii) Control measures to be...

  12. 40 CFR 68.69 - Operating procedures.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.69 Operating procedures. (a) The... presented by, the chemicals used in the process; (ii) Precautions necessary to prevent exposure, including engineering controls, administrative controls, and personal protective equipment; (iii) Control measures to be...

  13. 40 CFR 68.69 - Operating procedures.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.69 Operating procedures. (a) The... presented by, the chemicals used in the process; (ii) Precautions necessary to prevent exposure, including engineering controls, administrative controls, and personal protective equipment; (iii) Control measures to be...

  14. 40 CFR 68.69 - Operating procedures.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.69 Operating procedures. (a) The... presented by, the chemicals used in the process; (ii) Precautions necessary to prevent exposure, including engineering controls, administrative controls, and personal protective equipment; (iii) Control measures to be...

  15. 40 CFR 68.69 - Operating procedures.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.69 Operating procedures. (a) The... presented by, the chemicals used in the process; (ii) Precautions necessary to prevent exposure, including engineering controls, administrative controls, and personal protective equipment; (iii) Control measures to be...

  16. Fire Hazard Assessment in Supporting Fire Protection System Design of a Chemical Process Facility

    DTIC Science & Technology

    1996-08-01

    CSDP/Studies/FireHaz –i– 3/28/97 FIRE HAZARD ASSESSMENT IN SUPPORTING FIRE PROTECTION SYSTEM DESIGN OF A CHEMICAL PROCESS FACILITY Ali Pezeshk...Joseph Chang, Dwight Hunt, and Peter Jahn Parsons Infrastructure & Technology Group, Inc. Pasadena, California 91124 ABSTRACT Because fires in a chemical ...Assessment in Supporting Fire Protection System Design of a Chemical Process Facility 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6

  17. Numerical simulation of hydrogen fluorine overtone chemical lasers

    NASA Astrophysics Data System (ADS)

    Chen, Jinbao; Jiang, Zhongfu; Hua, Weihong; Liu, Zejin; Shu, Baihong

    1998-08-01

    A two-dimensional program was applied to simulate the chemical dynamic process, gas dynamic process and lasing process of a combustion-driven CW HF overtone chemical lasers. Some important parameters in the cavity were obtained. The calculated results included HF molecule concentration on each vibration energy level while lasing, averaged pressure and temperature, zero power gain coefficient of each spectral line, laser spectrum, the averaged laser intensity, output power, chemical efficiency and the length of lasing zone.

  18. 40 CFR 68.67 - Process hazard analysis.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.67 Process hazard analysis. (a... instrumentation with alarms, and detection hardware such as hydrocarbon sensors.); (4) Consequences of failure of...

  19. 40 CFR 68.67 - Process hazard analysis.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.67 Process hazard analysis. (a... instrumentation with alarms, and detection hardware such as hydrocarbon sensors.); (4) Consequences of failure of...

  20. Single-Cell RNA-Seq Reveals Dynamic Early Embryonic-like Programs during Chemical Reprogramming.

    PubMed

    Zhao, Ting; Fu, Yao; Zhu, Jialiang; Liu, Yifang; Zhang, Qian; Yi, Zexuan; Chen, Shi; Jiao, Zhonggang; Xu, Xiaochan; Xu, Junquan; Duo, Shuguang; Bai, Yun; Tang, Chao; Li, Cheng; Deng, Hongkui

    2018-06-12

    Chemical reprogramming provides a powerful platform for exploring the molecular dynamics that lead to pluripotency. Although previous studies have uncovered an intermediate extraembryonic endoderm (XEN)-like state during this process, the molecular underpinnings of pluripotency acquisition remain largely undefined. Here, we profile 36,199 single-cell transcriptomes at multiple time points throughout a highly efficient chemical reprogramming system using RNA-sequencing and reconstruct their progression trajectories. Through identifying sequential molecular events, we reveal that the dynamic early embryonic-like programs are key aspects of successful reprogramming from XEN-like state to pluripotency, including the concomitant transcriptomic signatures of two-cell (2C) embryonic-like and early pluripotency programs and the epigenetic signature of notable genome-wide DNA demethylation. Moreover, via enhancing the 2C-like program by fine-tuning chemical treatment, the reprogramming process is remarkably accelerated. Collectively, our findings offer a high-resolution dissection of cell fate dynamics during chemical reprogramming and shed light on mechanistic insights into the nature of induced pluripotency. Copyright © 2018 Elsevier Inc. All rights reserved.

  1. DEVELOPMENT OF A CHEMICAL PROCESS MODELING ENVIRONMENT BASED ON CAPE-OPEN INTERFACE STANDARDS AND THE MICROSOFT .NET FRAMEWORK

    EPA Science Inventory

    Chemical process simulation has long been used as a design tool in the development of chemical plants, and has long been considered a means to evaluate different design options. With the advent of large scale computer networks and interface models for program components, it is po...

  2. Natural Language Processor as a Universal Front End to Expert Systems.

    DTIC Science & Technology

    1983-12-01

    EGaschnig 19791 4.1.7 ESCA SPECTRA INTERPRETER, ESCA (Electron Spectroscopy for Chemical Analysis) is ~ an expert system which directly processes...then used as input to the ESCA Interpreter program. The 0 program, like that of CRYSALIS, is intended to be used by and expert in the field of chemical ...expect to be there. For example, in the DENDRAL 0 chemical analysis system[Handbook of AI], chemical names such as benzene and methanol, must form part of

  3. 75 FR 70248 - Endocrine Disruptor Screening Program; Second List of Chemicals for Tier 1 Screening

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-11-17

    ...., persons who manufacture, import or process chemical substances. Pesticide, fertilizer, and other... pesticide, fertilizer and agricultural chemicals. Scientific research and development services (NAICS code... water contaminants, such as halogenated organic chemicals, dioxins, flame retardants (PBDEs, PCBs, PFCs...

  4. 27 CFR 24.250 - Application for use of new treating material or process.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... from the testing program conducted by the chemical manufacturer demonstrating the function of the material or process; (7) A list of all chemicals used in compounding the treating material and the quantity... manufacturer or supplier of the treating material or process may be forwarded by the manufacturer or supplier...

  5. 27 CFR 24.250 - Application for use of new treating material or process.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... from the testing program conducted by the chemical manufacturer demonstrating the function of the material or process; (7) A list of all chemicals used in compounding the treating material and the quantity... manufacturer or supplier of the treating material or process may be forwarded by the manufacturer or supplier...

  6. 27 CFR 24.250 - Application for use of new treating material or process.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... from the testing program conducted by the chemical manufacturer demonstrating the function of the material or process; (7) A list of all chemicals used in compounding the treating material and the quantity... manufacturer or supplier of the treating material or process may be forwarded by the manufacturer or supplier...

  7. 27 CFR 24.250 - Application for use of new treating material or process.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... from the testing program conducted by the chemical manufacturer demonstrating the function of the material or process; (7) A list of all chemicals used in compounding the treating material and the quantity... manufacturer or supplier of the treating material or process may be forwarded by the manufacturer or supplier...

  8. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    This volume contains appendices for the following: Rocky Flats Plant and Idaho National Engineering Laboratory waste process information; TRUPACT-II content codes (TRUCON); TRUPACT-II chemical list; chemical compatibility analysis for Rocky Flats Plant waste forms; chemical compatibility analysis for waste forms across all sites; TRU mixed waste characterization database; hazardous constituents of Rocky Flats Transuranic waste; summary of waste components in TRU waste sampling program at INEL; TRU waste sampling program; and waste analysis data.

  9. APOLLO: A computer program for the calculation of chemical equilibrium and reaction kinetics of chemical systems

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Nguyen, H.D.

    1991-11-01

    Several of the technologies being evaluated for the treatment of waste material involve chemical reactions. Our example is the in situ vitrification (ISV) process where electrical energy is used to melt soil and waste into a ``glass like`` material that immobilizes and encapsulates any residual waste. During the ISV process, various chemical reactions may occur that produce significant amounts of products which must be contained and treated. The APOLLO program was developed to assist in predicting the composition of the gases that are formed. Although the development of this program was directed toward ISV applications, it should be applicable tomore » other technologies where chemical reactions are of interest. This document presents the mathematical methodology of the APOLLO computer code. APOLLO is a computer code that calculates the products of both equilibrium and kinetic chemical reactions. The current version, written in FORTRAN, is readily adaptable to existing transport programs designed for the analysis of chemically reacting flow systems. Separate subroutines EQREACT and KIREACT for equilibrium ad kinetic chemistry respectively have been developed. A full detailed description of the numerical techniques used, which include both Lagrange multiplies and a third-order integrating scheme is presented. Sample test problems are presented and the results are in excellent agreement with those reported in the literature.« less

  10. APOLLO: A computer program for the calculation of chemical equilibrium and reaction kinetics of chemical systems

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Nguyen, H.D.

    1991-11-01

    Several of the technologies being evaluated for the treatment of waste material involve chemical reactions. Our example is the in situ vitrification (ISV) process where electrical energy is used to melt soil and waste into a glass like'' material that immobilizes and encapsulates any residual waste. During the ISV process, various chemical reactions may occur that produce significant amounts of products which must be contained and treated. The APOLLO program was developed to assist in predicting the composition of the gases that are formed. Although the development of this program was directed toward ISV applications, it should be applicable tomore » other technologies where chemical reactions are of interest. This document presents the mathematical methodology of the APOLLO computer code. APOLLO is a computer code that calculates the products of both equilibrium and kinetic chemical reactions. The current version, written in FORTRAN, is readily adaptable to existing transport programs designed for the analysis of chemically reacting flow systems. Separate subroutines EQREACT and KIREACT for equilibrium ad kinetic chemistry respectively have been developed. A full detailed description of the numerical techniques used, which include both Lagrange multiplies and a third-order integrating scheme is presented. Sample test problems are presented and the results are in excellent agreement with those reported in the literature.« less

  11. 78 FR 20625 - Spent Nuclear Fuel Management at the Savannah River Site

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-04-05

    ... processing is a chemical separations process that involves dissolving spent fuel in nitric acid and... Engineering Laboratory Environmental Restoration and Waste Management Programs Final Environmental Impact... chemical properties, and radionuclide inventory. The fuel groups and the seven technologies that could be...

  12. A PROPOSED CHEMICAL INFORMATION AND DATA SYSTEM. VOLUME I.

    DTIC Science & Technology

    CHEMICAL COMPOUNDS, *DATA PROCESSING, *INFORMATION RETRIEVAL, * CHEMICAL ANALYSIS, INPUT OUTPUT DEVICES, COMPUTER PROGRAMMING, CLASSIFICATION...CONFIGURATIONS, DATA STORAGE SYSTEMS, ATOMS, MOLECULES, PERFORMANCE( ENGINEERING ), MAINTENANCE, SUBJECT INDEXING, MAGNETIC TAPE, AUTOMATIC, MILITARY REQUIREMENTS, TYPEWRITERS, OPTICS, TOPOLOGY, STATISTICAL ANALYSIS, FLOW CHARTING.

  13. BER balanced program plan: oil shale technology. [23 suggested biomedical and environmental research projects

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Schulte, H.F.; Stoker, A.K.; Campbell, E.E.

    1976-06-01

    Oil shale technology has been divided into two sub-technologies: surface processing and in-situ processing. Definition of the research programs is essentially an amplification of the five King-Muir categories: (A) pollutants: characterization, measurement, and monitoring; (B) physical and chemical processes and effects; (C) health effects; (D) ecological processes and effects; and (E) integrated assessment. Twenty-three biomedical and environmental research projects are described as to program title, scope, milestones, technolgy time frame, program unit priority, and estimated program unit cost.

  14. 40 CFR 68.52 - Operating procedures.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 2 Prevention Program § 68.52 Operating procedures. (a) The... for safely conducting activities associated with each covered process consistent with the safety information for that process. Operating procedures or instructions provided by equipment manufacturers or...

  15. Prediction of Combustion Gas Deposit Compositions

    NASA Technical Reports Server (NTRS)

    Kohl, F. J.; Mcbride, B. J.; Zeleznik, F. J.; Gordon, S.

    1985-01-01

    Demonstrated procedure used to predict accurately chemical compositions of complicated deposit mixtures. NASA Lewis Research Center's Computer Program for Calculation of Complex Chemical Equilibrium Compositions (CEC) used in conjunction with Computer Program for Calculation of Ideal Gas Thermodynamic Data (PAC) and resulting Thermodynamic Data Base (THDATA) to predict deposit compositions from metal or mineral-seeded combustion processes.

  16. Balanced program plan: analysis for biomedical and environmental research. Volume 5. Oil shale technology

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    1976-06-01

    Oil shale technology has been divided into two sub-technologies: surfaceprocessing and in-situ processing. Definition of the research programs is essentially an amplification of the five King-Muir categories: (A) pollutants: characterization, measurement, and monitoring; (B) physical and chemical processes and effects; (C) health effects; (D) ecological processes and effects; and (E) integrated assessment. Twenty-three biomedical and environmental research projects are described as to program title, scope, milestones, technology time frame, program unit priority, and estimated program unit cost.

  17. 10 CFR 70.62 - Safety program and integrated safety analysis.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ...) Radiological hazards related to possessing or processing licensed material at its facility; (ii) Chemical hazards of licensed material and hazardous chemicals produced from licensed material; (iii) Facility... performed by a team with expertise in engineering and process operations. The team shall include at least...

  18. DYNSYL: a general-purpose dynamic simulator for chemical processes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Patterson, G.K.; Rozsa, R.B.

    1978-09-05

    Lawrence Livermore Laboratory is conducting a safeguards program for the Nuclear Regulatory Commission. The goal of the Material Control Project of this program is to evaluate material control and accounting (MCA) methods in plants that handle special nuclear material (SNM). To this end we designed and implemented the dynamic chemical plant simulation program DYNSYL. This program can be used to generate process data or to provide estimates of process performance; it simulates both steady-state and dynamic behavior. The MCA methods that may have to be evaluated range from sophisticated on-line material trackers such as Kalman filter estimators, to relatively simplemore » material balance procedures. This report describes the overall structure of DYNSYL and includes some example problems. The code is still in the experimental stage and revision is continuing.« less

  19. 40 CFR 68.67 - Process hazard analysis.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.67 Process hazard analysis. (a... potential for catastrophic consequences. (3) Engineering and administrative controls applicable to the... engineering and administrative controls; (5) Stationary source siting; (6) Human factors; and (7) A...

  20. 40 CFR 68.67 - Process hazard analysis.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.67 Process hazard analysis. (a... potential for catastrophic consequences. (3) Engineering and administrative controls applicable to the... engineering and administrative controls; (5) Stationary source siting; (6) Human factors; and (7) A...

  1. 40 CFR 68.67 - Process hazard analysis.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.67 Process hazard analysis. (a... potential for catastrophic consequences. (3) Engineering and administrative controls applicable to the... engineering and administrative controls; (5) Stationary source siting; (6) Human factors; and (7) A...

  2. XPERT DESIGN AND DIAGNOSTICS' (XDD) IN-SITU CHEMICAL OXIDATION PROCESS USING POTASSIUM PERMANGANATE (KMNO4)

    EPA Science Inventory

    Xpert Design and Diagnostic's (XDD)potassium permanganate in situ chemical oxidation (ISCO) process was evaluated under the EPA Superfund Innovative Technology Evaluation (SITE) Program at the former MEC Building site located in Hudson, New Hampshire. At this site, both soil and ...

  3. Energy conversion and storage program

    NASA Astrophysics Data System (ADS)

    Cairns, E. J.

    1992-03-01

    The Energy Conversion and Storage Program applies chemistry and materials science principles to solve problems in: (1) production of new synthetic fuels; (2) development of high-performance rechargeable batteries and fuel cells; (3) development of advanced thermochemical processes for energy conversion; (4) characterization of complex chemical processes; and (5) application of novel materials for energy conversion and transmission. Projects focus on transport-process principles, chemical kinetics, thermodynamics, separation processes, organic and physical chemistry, novel materials, and advanced methods of analysis. Electrochemistry research aims to develop advanced power systems for electric vehicle and stationary energy storage applications. Topics include identification of new electrochemical couples for advanced rechargeable batteries, improvements in battery and fuel-cell materials, and the establishment of engineering principles applicable to electrochemical energy storage and conversion. Chemical Applications research includes topics such as separations, catalysis, fuels, and chemical analyses. Included in this program area are projects to develop improved, energy-efficient methods for processing waste streams from synfuel plants and coal gasifiers. Other research projects seek to identify and characterize the constituents of liquid fuel-system streams and to devise energy-efficient means for their separation. Materials Applications research includes the evaluation of the properties of advanced materials, as well as the development of novel preparation techniques. For example, the use of advanced techniques, such as sputtering and laser ablation, are being used to produce high-temperature superconducting films.

  4. Micro Thermal and Chemical Systems for In Situ Resource Utilization on Mars

    NASA Technical Reports Server (NTRS)

    Wegeng, Robert S.; Sanders, Gerald

    2000-01-01

    Robotic sample return missions and postulated human missions to Mars can be greatly aided through the development and utilization of compact chemical processing systems that process atmospheric gases and other indigenous resources to produce hydrocarbon propellants/fuels, oxygen, and other needed chemicals. When used to reduce earth launch mass, substantial cost savings can result. Process Intensification and Process Miniaturization can simultaneously be achieved through the application of microfabricated chemical process systems, based on the rapid heat and mass transport in engineered microchannels. Researchers at NASA's Johnson Space Center (JSC) and the Department of Energy's Pacific Northwest National Laboratory (PNNL) are collaboratively developing micro thermal and chemical systems for NASA's Mission to Mars program. Preliminary results show that many standard chemical process components (e.g., heat exchangers, chemical reactors and chemical separations units) can be reduced in hardware volume without a corresponding reduction in chemical production rates. Low pressure drops are also achievable when appropriate scaling rules are applied. This paper will discuss current progress in the development of engineered microchemical systems for space and terrestrial applications, including fabrication methods, expected operating characteristics, and specific experimental results.

  5. Film processing investigation. [improved chemical mixing system

    NASA Technical Reports Server (NTRS)

    Kelly, J. L.

    1972-01-01

    The present operational chemical mixing system for the Photographic Technology Division is evaluated, and the limitations are defined in terms of meeting the present and programmed chemical supply and delivery requirements. A major redesign of the entire chemical mixing, storage, analysis, and supply system is recommended. Other requirements for immediate and future implementations are presented.

  6. 40 CFR 68.83 - Employee participation.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.83 Employee participation. (a... their representatives on the conduct and development of process hazards analyses and on the development of the other elements of process safety management in this rule. (c) The owner or operator shall...

  7. Addition to the Lewis Chemical Equilibrium Program to allow computation from coal composition data

    NASA Technical Reports Server (NTRS)

    Sevigny, R.

    1980-01-01

    Changes made to the Coal Gasification Project are reported. The program was developed by equilibrium combustion in rocket engines. It can be applied directly to the entrained flow coal gasification process. The particular problem addressed is the reduction of the coal data into a form suitable to the program, since the manual process is involved and error prone. A similar problem in relating the normal output of the program to parameters meaningful to the coal gasification process is also addressed.

  8. Matthew Oliver | NREL

    Science.gov Websites

    Process Development Unit. NREL's Thermal and Catalytic Process Development Unit can process 1/2 ton per biomass to fuels and chemicals Affiliated Research Programs Thermochemical Process Integration, Scale-Up

  9. Hazardous Waste Processing in the Chemical Engineering Curriculum.

    ERIC Educational Resources Information Center

    Dorland, Dianne; Baria, Dorab N.

    1995-01-01

    Describes a sequence of two courses included in the chemical engineering program at the University of Minnesota, Duluth that deal with the processing of hazardous wastes. Covers course content and structure, and discusses developments in pollution prevention and waste management that led to the addition of these courses to the curriculum.…

  10. 40 CFR 372.25 - Thresholds for reporting.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... PLANNING, AND COMMUNITY RIGHT-TO-KNOW PROGRAMS TOXIC CHEMICAL RELEASE REPORTING: COMMUNITY RIGHT-TO-KNOW... threshold amounts for purposes of reporting under § 372.30 for toxic chemicals are as follows: (a) With respect to a toxic chemical manufactured (including imported) or processed at a facility during the...

  11. 40 CFR 372.25 - Thresholds for reporting.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... PLANNING, AND COMMUNITY RIGHT-TO-KNOW PROGRAMS TOXIC CHEMICAL RELEASE REPORTING: COMMUNITY RIGHT-TO-KNOW... threshold amounts for purposes of reporting under § 372.30 for toxic chemicals are as follows: (a) With respect to a toxic chemical manufactured (including imported) or processed at a facility during the...

  12. Nuclear, Chemical and Biological Education and Training: A Review Across the Services and Joint Community

    DTIC Science & Technology

    2007-09-01

    13 1. Air Force Inspector General – CBRNE CERFP Program Audit ...14 2. Defense Medical...CBRNE CERFP Program Audit “The AFAA [Air Force Audit Agency] is assessing whether Air National Guard officials properly managed the Chemical...processing personnel through the aircrew contamination control area ( ACCA ). Flight Medicine provides training on agent toxicology and pharmacology. The

  13. CET89 - CHEMICAL EQUILIBRIUM WITH TRANSPORT PROPERTIES, 1989

    NASA Technical Reports Server (NTRS)

    Mcbride, B.

    1994-01-01

    Scientists and engineers need chemical equilibrium composition data to calculate the theoretical thermodynamic properties of a chemical system. This information is essential in the design and analysis of equipment such as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical processing equipment. The substantial amount of numerical computation required to obtain equilibrium compositions and transport properties for complex chemical systems led scientists at NASA's Lewis Research Center to develop CET89, a program designed to calculate the thermodynamic and transport properties of these systems. CET89 is a general program which will calculate chemical equilibrium compositions and mixture properties for any chemical system with available thermodynamic data. Generally, mixtures may include condensed and gaseous products. CET89 performs the following operations: it 1) obtains chemical equilibrium compositions for assigned thermodynamic states, 2) calculates dilute-gas transport properties of complex chemical mixtures, 3) obtains Chapman-Jouguet detonation properties for gaseous species, 4) calculates incident and reflected shock properties in terms of assigned velocities, and 5) calculates theoretical rocket performance for both equilibrium and frozen compositions during expansion. The rocket performance function allows the option of assuming either a finite area or an infinite area combustor. CET89 accommodates problems involving up to 24 reactants, 20 elements, and 600 products (400 of which may be condensed). The program includes a library of thermodynamic and transport properties in the form of least squares coefficients for possible reaction products. It includes thermodynamic data for over 1300 gaseous and condensed species and transport data for 151 gases. The subroutines UTHERM and UTRAN convert thermodynamic and transport data to unformatted form for faster processing. The program conforms to the FORTRAN 77 standard, except for some input in NAMELIST format. It requires about 423 KB memory, and is designed to be used on mainframe, workstation, and mini computers. Due to its memory requirements, this program does not readily lend itself to implementation on MS-DOS based machines.

  14. 40 CFR 68.77 - Pre-startup review.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.77 Pre-startup review. (a) The... stationary sources when the modification is significant enough to require a change in the process safety... substances to a process: (1) Construction and equipment is in accordance with design specifications; (2...

  15. RMP Guidance for Chemical Distributors - Chapter 8: Emergency Response Program

    EPA Pesticide Factsheets

    Depending on the level of processes at your facility, part 68 may require an emergency response program: an emergency response plan, emergency response equipment procedures, employee training, and procedures to ensure the program is up-to-date.

  16. Safety management and risk assessment in chemical laboratories.

    PubMed

    Marendaz, Jean-Luc; Friedrich, Kirstin; Meyer, Thierry

    2011-01-01

    The present paper highlights a new safety management program, MICE (Management, Information, Control and Emergency), which has been specifically adapted for the academic environment. The process starts with an exhaustive hazard inventory supported by a platform assembling specific hazards encountered in laboratories and their subsequent classification. A proof of concept is given by a series of implementations in the domain of chemistry targeting workplace health protection. The methodology is expressed through three examples to illustrate how the MICE program can be used to address safety concerns regarding chemicals, strong magnetic fields and nanoparticles in research laboratories. A comprehensive chemical management program is also depicted.

  17. Designing monitoring programs for chemicals of emerging concern in potable reuse--what to include and what not to include?

    PubMed

    Drewes, J E; Anderson, P; Denslow, N; Olivieri, A; Schlenk, D; Snyder, S A; Maruya, K A

    2013-01-01

    This study discussed a proposed process to prioritize chemicals for reclaimed water monitoring programs, selection of analytical methods required for their quantification, toxicological relevance of chemicals of emerging concern regarding human health, and related issues. Given that thousands of chemicals are potentially present in reclaimed water and that information about those chemicals is rapidly evolving, a transparent, science-based framework was developed to guide prioritization of which compounds of emerging concern (CECs) should be included in reclaimed water monitoring programs. The recommended framework includes four steps: (1) compile environmental concentrations (e.g., measured environmental concentration or MEC) of CECs in the source water for reuse projects; (2) develop a monitoring trigger level (MTL) for each of these compounds (or groups thereof) based on toxicological relevance; (3) compare the environmental concentration (e.g., MEC) to the MTL; CECs with a MEC/MTL ratio greater than 1 should be prioritized for monitoring, compounds with a ratio less than '1' should only be considered if they represent viable treatment process performance indicators; and (4) screen the priority list to ensure that a commercially available robust analytical method is available for that compound.

  18. Prioritization methodology for chemical replacement

    NASA Technical Reports Server (NTRS)

    Cruit, Wendy; Goldberg, Ben; Schutzenhofer, Scott

    1995-01-01

    Since United States of America federal legislation has required ozone depleting chemicals (class 1 & 2) to be banned from production, The National Aeronautics and Space Administration (NASA) and industry have been required to find other chemicals and methods to replace these target chemicals. This project was initiated as a development of a prioritization methodology suitable for assessing and ranking existing processes for replacement 'urgency.' The methodology was produced in the form of a workbook (NASA Technical Paper 3421). The final workbook contains two tools, one for evaluation and one for prioritization. The two tools are interconnected in that they were developed from one central theme - chemical replacement due to imposed laws and regulations. This workbook provides matrices, detailed explanations of how to use them, and a detailed methodology for prioritization of replacement technology. The main objective is to provide a GUIDELINE to help direct the research for replacement technology. The approach for prioritization called for a system which would result in a numerical rating for the chemicals and processes being assessed. A Quality Function Deployment (QFD) technique was used in order to determine numerical values which would correspond to the concerns raised and their respective importance to the process. This workbook defines the approach and the application of the QFD matrix. This technique: (1) provides a standard database for technology that can be easily reviewed, and (2) provides a standard format for information when requesting resources for further research for chemical replacement technology. Originally, this workbook was to be used for Class 1 and Class 2 chemicals, but it was specifically designed to be flexible enough to be used for any chemical used in a process (if the chemical and/or process needs to be replaced). The methodology consists of comparison matrices (and the smaller comparison components) which allow replacement technology to be quantitatively compared in several categories, and a QFD matrix which allows process/chemical pairs to be rated against one another for importance (using consistent categories). Depending on the need for application, one can choose the part(s) needed or have the methodology completed in its entirety. For example, if a program needs to show the risk of changing a process/chemical one may choose to use part of Matrix A and Matrix C. If a chemical is being used, and the process must be changed; one might use the Process Concerns part of Matrix D for the existing process and all possible replacement processes. If an overall analysis of a program is needed, one may request the QFD to be completed.

  19. 40 CFR 68.50 - Hazard review.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 2 Prevention Program § 68.50 Hazard review. (a) The owner or operator shall conduct a review of the hazards associated with the regulated substances, process, and...

  20. Computing Equilibrium Chemical Compositions

    NASA Technical Reports Server (NTRS)

    Mcbride, Bonnie J.; Gordon, Sanford

    1995-01-01

    Chemical Equilibrium With Transport Properties, 1993 (CET93) computer program provides data on chemical-equilibrium compositions. Aids calculation of thermodynamic properties of chemical systems. Information essential in design and analysis of such equipment as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical-processing equipment. CET93/PC is version of CET93 specifically designed to run within 640K memory limit of MS-DOS operating system. CET93/PC written in FORTRAN.

  1. The Role of Spirituality in Recovery from Chemical Dependency.

    ERIC Educational Resources Information Center

    Johnsen, Eric

    1993-01-01

    Examined role of spirituality in process of recovery from chemical dependency among 50 participants in 28-day recovery program. Results indicated trend toward use of prayer or meditation by those abstaining from use of mind-altering chemicals. Findings suggest that associations between recovery and use of prayer or meditation is important. (NB)

  2. Virtual Liver: Evaluating the Impact of Hepatic Microdosimetry for ToxCast Chemicals

    EPA Science Inventory

    The U.S. EPA’s ToxCastTM program uses hundreds of high-throughput, in vitro assays to screen chemicals for potential toxicity. The assays are used to probe in vitro concentrations at which target cellular pathways and processes are perturbed by these chemicals. The U.S. EPA’s Vir...

  3. Administrative and Technical Support for the U.S. Army Medical Research and Development Command Joint Working Group on Medical Chemical Defense

    DTIC Science & Technology

    1989-08-01

    microproces;qor databaAing systems for monitoring project and contract reports and program technology trans. fers, coordinating and providing administratIvo ...The JWGD 3 annual planning process generally included: - Program review by the JWGD’ membership at quarterly meetings, which consisted of the review...Office developed the program planning and budget documents associated with the planning process outlined above. Program project databases and

  4. CSPP CDX Registration Guide

    EPA Pesticide Factsheets

    CDX allows users submitting data to the EPA to register for the specific program of interest. This Guide describes the registration process and information requirements associated with Submissions for the Chemical Safety and Pesticide Programs (CSPP).

  5. Environmental Sampling & Analytical Methods (ESAM) Program - Home

    EPA Pesticide Factsheets

    ESAM is a comprehensive program to facilitate a coordinated response to a chemical, radiochemical, biotoxin or pathogen contamination incident focusing on sample collection, processing, and analysis to provide quality results to the field.

  6. The NASA program on upper atmospheric research

    NASA Technical Reports Server (NTRS)

    1976-01-01

    The purpose of the NASA Upper Atmospheric Research Program is to develop a better understanding of the physical and chemical processes that occur in the earth's upper atmosphere with emphasis on the stratosphere.

  7. Introduction to Pharmaceuticals and Personal Care Products (PPCPS)

    EPA Science Inventory

    Those chemical pollutants that are regulated under various international, federal, and state programs represent but a small fraction of the universe of chemicals that occur in the environment as a result of both natural processes and human influence.

  8. AN ADVANCED SYSTEM FOR POLLUTION PREVENTION IN CHEMICAL COMPLEXES

    EPA Science Inventory

    One important accomplishment is that the system will give process engineers interactively and simultaneously use of programs for total cost analysis, life cycle assessment and sustainability metrics to provide direction for the optimal chemical complex analysis pro...

  9. Materials processing in space program tasks-supplement

    NASA Technical Reports Server (NTRS)

    Pentecost, E. (Compiler)

    1983-01-01

    An overview of the program scope for managers and scientists in industry, university, and government communities is provided. An introductory description of the program, its history, strategy, and overall goals; identification of the organizational structures and people involved; and a description of each research task, together with a list of recent publications are included. The tasks are grouped into six categories: crystal growth; solidification of metals, alloys, and composites; fluids, transports, and chemical processes; and ultrahigh vacuum and containerless processing technologies; combustion experiments; and experimental technology.

  10. Survey: Computer Usage in Design Courses.

    ERIC Educational Resources Information Center

    Henley, Ernest J.

    1983-01-01

    Presents results of a survey of chemical engineering departments regarding computer usage in senior design courses. Results are categorized according to: computer usage (use of process simulators, student-written programs, faculty-written or "canned" programs; costs (hard and soft money); and available software. Programs offered are…

  11. PHARMACEUTICALS & PERSONAL CARE PRODUCTS AS ENVIRONMENTAL POLLUTANTS FROM EVERYDAY ACTIVITIES

    EPA Science Inventory

    Those chemical pollutants that are regulated under various international, federal, and state programs represent but a small fraction of the universe of chemicals that occur in the environment as a result of both natural processes and human influence.

  12. NON-REGULATED WATER CONTAMINANTS: EMERGING RESEARCH

    EPA Science Inventory

    Those chemical pollutants that are regulated under various international, federal, and state programs represent but a small fraction of the universe of chemicals that occur in the environment as a result of both natural processes and human influence. Although this galaxy of targe...

  13. Computing Properties Of Chemical Mixtures At Equilibrium

    NASA Technical Reports Server (NTRS)

    Mcbride, B. J.; Gordon, S.

    1995-01-01

    Scientists and engineers need data on chemical equilibrium compositions to calculate theoretical thermodynamic properties of chemical systems. Information essential in design and analysis of such equipment as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical-processing equipment. CET93 is general program that calculates chemical equilibrium compositions and properties of mixtures for any chemical system for which thermodynamic data are available. Includes thermodynamic data for more than 1,300 gaseous and condensed species and thermal-transport data for 151 gases. Written in FORTRAN 77.

  14. 40 CFR 68.85 - Hot work permit.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.85 Hot work permit. (a) The owner or operator shall issue a hot work permit for hot work operations conducted on or near a covered process. (b...

  15. 77 FR 9237 - Agency Information Collection Activities; Proposed Collection; Comment Request; Risk Management...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-02-16

    ... Activities; Proposed Collection; Comment Request; Risk Management Program Requirements and Petitions To..., non-chemical manufacturers, etc. Title: Risk Management Program Requirements and Petitions to Modify... regulated substance in a process develop and implement a risk management program and submit a risk...

  16. Chemical Stockpile Disposal Program. Chemical Agent and Munition Disposal. Summary of the U.S. Army’s Experience

    DTIC Science & Technology

    1987-09-21

    a difficult process to control; continuous generation of acidic products results in the possibility of side reactions and in gaseous by- products . Ion...dissolved in hydrochlorlo acid. The acid chlorination forms non-toxic reaction products as per Figure 3-3. (2) To initiate the neutralization process ...et al, "Emission and Control of By- Products From Hazarduus Waste Combustion Processes ", Land Disposal, Remedial Action, Incineration and Treatment

  17. CHEMICAL RIGIDIZATION OF EXPANDABLE STRUCTURES.

    DTIC Science & Technology

    The objective of this program was to develop a chemical rigidization process that could be activated by an on-command mechanism and be capable of...and rigidized in the high vacuum facilities atWright-Patterson AFB, Ohio and were delivered to the Air Force. A fail-safe chemical rigidization system...have been varied from fifteen minutes to two hours. The chemical system, a vinyl-type monomer, has exhibited a sustained shelf-life, under ambient

  18. PHARMACEUTICALS AS UBIQUITOUS POLLUTANTS: SIGNIFICANCE, CONCERNS, SOLUTIONS

    EPA Science Inventory

    Those chemical pollutants that are regulated under various international, federal, and state programs represent but a small fraction of the universe of chemicals that occur in the environment as a result of both natural processes and human influence. Although this galaxy of targe...

  19. COMPUTATIONAL TOXICOLOGY - OBJECTIVE 2: DEVELOPING APPROACHES FOR PRIORITIZING CHEMICALS FOR SUBSEQUENT SCREENING AND TESTING

    EPA Science Inventory

    One of the strategic objectives of the Computational Toxicology Program is to develop approaches for prioritizing chemicals for subsequent screening and testing. Approaches currently available for this process require extensive resources. Therefore, less costly and time-extensi...

  20. Occurrence and methods of control of chemical contaminants in foods.

    PubMed

    Jelinek, C

    1981-06-01

    Contamination of food by chemicals can result from their use on agricultural commodities; accidents or misuse during food handling and processing; nucler weapon testing and operation of nuclear power plants; and disposal of industrial chemicals or by-products with subsequent dispersal into the environment. The Food and Drug Administration (FDA), as the Federal agency mainly responsible for evaluating the hazards of chemical contaminants and enforcing any established tolerance levels for them in foods, has been monitoring pesticides, industrial chemicals, metals, and radionuclides in foods in its nationwide programs for many years. In addition, FDA searches for potential contaminants among the approximately 50,000 industrial chemicals manufactured in the United States and coordinates its efforts with those of other Federal and state agencies in these investigations. The overall results of the FDA surveillance and compliance programs for chemical contaminants in foods, as well as specific examples illustrating the wide range of incidents and types of occurrences, are presented.

  1. NASA's Exobiology Program.

    PubMed

    DeVincenzi, D L

    1984-01-01

    The goal of NASA's Exobiology Program is to understand the origin, evolution, and distribution of life, and life-related molecules, on Earth and throughout the universe. Emphasis is focused on determining how the rate and direction of these processes were affected by the chemical and physical environment of the evolving planet, as well as by planetary, solar, and astrophysical phenomena. This is accomplished by a multi-disciplinary program of research conducted by over 60 principal investigators in both NASA and university laboratories. Major program thrusts are in the following research areas: biogenic elements; chemical evolution; origin of life; organic geochemistry; evolution of higher life forms; solar system exploration; and the search for extraterrestrial intelligence (SETI).

  2. Mercury Deposition Network Site Operator Training for the System Blank and Blind Audit Programs

    USGS Publications Warehouse

    Wetherbee, Gregory A.; Lehmann, Christopher M.B.

    2008-01-01

    The U.S. Geological Survey operates the external quality assurance project for the National Atmospheric Deposition Program/Mercury Deposition Network. The project includes the system blank and blind audit programs for assessment of total mercury concentration data quality for wet-deposition samples. This presentation was prepared to train new site operators and to refresh experienced site operators to successfully process and submit system blank and blind audit samples for chemical analysis. Analytical results are used to estimate chemical stability and contamination levels of National Atmospheric Deposition Program/Mercury Deposition Network samples and to evaluate laboratory variability and bias.

  3. 77 FR 12622 - Records Schedules; Availability and Request for Comments

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-03-01

    ... chemical weapons convention program records and protocol program records. 3. Department of Defense, Defense... disposition process is available on request. Schedules Pending 1. Department of the Army, Agency-wide (N1-AU... programs, housing, recreation, and travel. 2. Department of Commerce, Bureau of Industry and Security, (N1...

  4. In-situ Subsurface Soil Analyzer

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ulmer, Chris

    The Department of Energy’s (DOE’s) Terrestrial Ecosystem Science (TES) program is seeking improved sensor systems for monitoring hydro-biogeochemical processes in complex subsurface environments. The TES program is specifically interested in acquiring chemical and structural information regarding the type and nature of the hydration and redox states of subsurface chemical species. The technology should be able to perform on-site and real-time measurements to provide information not available using current sample acquisition and preservation processes. To address the needs of the DOE and the terrestrial science community, Physical Optics Corporation (POC) worked on the development of a new In-Situ Subsurface Soil Analyzermore » (ISSA) based on magnetic resonance technologies. Benchtop testing was performed to assess the feasibility of continuous wave electron pair resonance (CW-EPR) detection of chemical species in subsurface soil systems.« less

  5. Monitoring the hydrothermal system in Long Valley caldera, California

    USGS Publications Warehouse

    Farrar, C.D.; Sorey, M.L.

    1985-01-01

    An ongoing program to monitor the hydrothermal system in Long Valley for changes caused by volcanic or tectonic processes has produced considerable data on the water chemistry and discharge of springs and fluid temperatures and pressures in wells. Chemical and isotopic data collected under this program have greatly expanded the knowledge of chemical variability both in space and time. Although no chemical or isotopic changes in hot spring waters can be attributed directly to volcanic or tectonic processes, changes in hot spring chemistry that have been recorded probably relate to interactions between and variations in the quantity of liquid and gas discharged. Stable carbon isotope data are consistent with a carbon source either perform the mantle or from metamorphosed carbonate rocks. Continuous and periodic measurements of hot spring discharge at several sites show significant co seismic and a seismic changes since 1980.

  6. APPLICATIONS ANALYSIS REPORT: SITE PROGRAM DEMONSTRATION TEST SOLIDITECH, INC. SOLIDIFICATION/ STABILIZATION PROCESS

    EPA Science Inventory

    This Applications Analysis Report evaluates the Soliditech, Inc., solidification/ stabilization process for the on-site treatment of waste materials. The Soliditech process mixes and chemically treats waste material with Urrichem (a proprietary reagent), additives, pozzolanic mat...

  7. OPTIMIZATION OF COUNTERCURRENT STAGED PROCESSES.

    DTIC Science & Technology

    CHEMICAL ENGINEERING , OPTIMIZATION), (*DISTILLATION, OPTIMIZATION), INDUSTRIAL PRODUCTION, INDUSTRIAL EQUIPMENT, MATHEMATICAL MODELS, DIFFERENCE EQUATIONS, NONLINEAR PROGRAMMING, BOUNDARY VALUE PROBLEMS, NUMERICAL INTEGRATION

  8. Streamlining your demulsification program

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Svetgoff, J.

    1989-09-01

    According to this article, demulsification should be viewed as a wide reaching concept that takes into consideration many factors. These include: oil quality, water quality, effect of solids on the demulsification process, consideration of the completeness of the dehydration process, consideration of the most effective use of surface equipment, the use of heat, and cost of the demulsification program. The author discusses how the best demulsification program results in the synergistic use of heat, demulsifier chemicals, electricity, and retention time to provide clean oil and clean water with minimum treating system problems. In addition, these goals should be accomplished atmore » a reasonable cost. However, the amount of heat, chemicals, electricity, or retention time used in a program should not be reduced to the bare minimum. A slight excess of each is necessary to ensure a trouble-free program in most oil field systems. If a producer tries to operate on the ragged edge as far as system resources are concerned, upsets will occur because of the ever-changing nature of oil field systems.« less

  9. Materials processing in space program tasks

    NASA Technical Reports Server (NTRS)

    Pentecost, E. (Compiler)

    1982-01-01

    Active research areas as of the end of the fiscal year 1982 of the Materials Processing in Space Program, NASA-Office of Space and Terrestrial Applications, involving several NASA centers and other organizations are highlighted to provide an overview of the program scope for managers and scientists in industry, university, and government communities. The program is described as well as its history, strategy and overall goal; the organizational structures and people involved are identified and each research task is described together with a list of recent publications. The tasks are grouped into four categories: crystal growth; solidification of metals, alloys, and composites; fluids, transports, and chemical processes; and ultrahigh vacuum and containerless processing technologies.

  10. 40 CFR 68.73 - Mechanical integrity.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.73 Mechanical integrity. (a... accepted good engineering practices. (3) The frequency of inspections and tests of process equipment shall be consistent with applicable manufacturers' recommendations and good engineering practices, and more...

  11. 40 CFR 68.73 - Mechanical integrity.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.73 Mechanical integrity. (a... accepted good engineering practices. (3) The frequency of inspections and tests of process equipment shall be consistent with applicable manufacturers' recommendations and good engineering practices, and more...

  12. 40 CFR 68.73 - Mechanical integrity.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.73 Mechanical integrity. (a... accepted good engineering practices. (3) The frequency of inspections and tests of process equipment shall be consistent with applicable manufacturers' recommendations and good engineering practices, and more...

  13. 40 CFR 68.73 - Mechanical integrity.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.73 Mechanical integrity. (a... accepted good engineering practices. (3) The frequency of inspections and tests of process equipment shall be consistent with applicable manufacturers' recommendations and good engineering practices, and more...

  14. Software For Design Of Life-Support Systems

    NASA Technical Reports Server (NTRS)

    Rudokas, Mary R.; Cantwell, Elizabeth R.; Robinson, Peter I.; Shenk, Timothy W.

    1991-01-01

    Design Assistant Workstation (DAWN) computer program is prototype of expert software system for analysis and design of regenerative, physical/chemical life-support systems that revitalize air, reclaim water, produce food, and treat waste. Incorporates both conventional software for quantitative mathematical modeling of physical, chemical, and biological processes and expert system offering user stored knowledge about materials and processes. Constructs task tree as it leads user through simulated process, offers alternatives, and indicates where alternative not feasible. Also enables user to jump from one design level to another.

  15. Chemical Stockpile Disposal Program. Risk Analysis of the Continued Storage of Chemical Munitions

    DTIC Science & Technology

    1987-08-01

    Grass Army Depot LIC liquid incinerator LPF leakers processing facility LPG liquified propane gas MD)B munitions demilitarization building"I 1DIA mu...screening process , con- sidering both frequency and magnitude of agent release, are included in the deliverables of this project. S.1.3. Scove of Study...simplistic terms the PRA process focuses on answering the fol- •• loving three basic questions: 1. Wh.t can go wrong? 2. How frequently is it expected to

  16. Green Chemistry: Innovations for a Cleaner World. [Videotape].

    ERIC Educational Resources Information Center

    American Chemical Society, Washington, DC.

    This video was developed through a cooperative agreement between the American Chemical Society (ACS)'s Education and International Activities Division and the U.S. Environmental Protection Agency's Green Chemistry Program, Office of Pollution Prevention and Toxics. "Green Chemistry" focuses on chemical products and processes that reduce or…

  17. 40 CFR 68.185 - Certification.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 15 2010-07-01 2010-07-01 false Certification. 68.185 Section 68.185 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) CHEMICAL ACCIDENT PREVENTION PROVISIONS Risk Management Plan § 68.185 Certification. (a) For Program 1 processes...

  18. Revised ground-water monitoring compliance plan for the 300 area process trenches

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Schalla, R.; Aaberg, R.L.; Bates, D.J.

    1988-09-01

    This document contains ground-water monitoring plans for process-water disposal trenches located on the Hanford Site. These trenches, designated the 300 Area Process Trenches, have been used since 1973 for disposal of water that contains small quantities of both chemicals and radionuclides. The ground-water monitoring plans contained herein represent revision and expansion of an effort initiated in June 1985. At that time, a facility-specific monitoring program was implemented at the 300 Area Process Trenches as part of a regulatory compliance effort for hazardous chemicals being conducted on the Hanford Site. This monitoring program was based on the ground-water monitoring requirements formore » interim-status facilities, which are those facilities that do not yet have final permits, but are authorized to continue interim operations while engaged in the permitting process. The applicable monitoring requirements are described in the Resource Conservation and Recovery Act (RCRA), 40 CFR 265.90 of the federal regulations, and in WAC 173-303-400 of Washington State's regulations (Washington State Department of Ecology 1986). The program implemented for the process trenches was designed to be an alternate program, which is required instead of the standard detection program when a facility is known or suspected to have contaminated the ground water in the uppermost aquifer. The plans for the program, contained in a document prepared by the US Department of Energy (USDOE) in 1985, called for monthly sampling of 14 of the 37 existing monitoring wells at the 300 Area plus the installation and sampling of 2 new wells. 27 refs., 25 figs., 15 tabs.« less

  19. The Painting-Sponging Analogy for Chemical Equilibrium

    NASA Astrophysics Data System (ADS)

    Gamitz, Adoni

    1997-05-01

    An analogy for chemical equilibrium is presented, in which high school or younger students can follow the advance towards equilibrium and its final dynamic nature. The relative opposition between forward and backward processes in a real chemical reaction is exemplified by the distance of a road line that is painted by one person and erased by another, both with different skills and working speeds. The graphical results of the progress of the line distance is entirely similar to the increasing of products concentration in a chemical reaction starting from the reactants. In the analogy, the final equilibrium position is independent of the starting point, as well as in a real chemical process. A simple basic program is included for interactive learning purposes.

  20. Aquatic Species Program Review: Proceedings of the March 1983 Principal Investigators Meeting

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    1983-06-01

    The Aquatic Species Program (ASP) addresses the utilization of plant biomass that naturally occurs in wetland or submerged areas. Processes are being developed through this program to make use of such aquatic species, capitalizing on their inherent capacity for rapid growth as well as their extraordinary chemical compositions.

  1. Occult chemical deposition to a Maritime forest

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Vong, R.J.; Kowalski, A.S.

    1996-12-31

    Studies of chemical fluxes from the atmosphere to vegetated surfaces have suggested that, along with conventional wet and dry processes, an additional chemical input occurs when wind-blown cloud droplets are directly intercepted by vegetation. This cloud water deposition process has been sometimes termed {open_quote}occult deposition{close_quote} because the water fluxes cannot ordinarily be observed using rain gauges. Such occult deposition of cloud water has rarely been measured directly, in part because of the complexity of the governing turbulent transfer process. However, reviews by the National Acidic Precipitation Assessment Program (NAPAP SoS/T-2,6) have suggested that the chemical flux to be forest declinemore » in the eastern USA. This paper presents direct field measurements occult chemical fluxes to a silver fir forest located in complex terrain on the Olympic Peninsula near the coast of Washington State, USA.« less

  2. Chemical vapor deposition growth

    NASA Technical Reports Server (NTRS)

    Ruth, R. P.; Manasevit, H. M.; Campbell, A. G.; Johnson, R. E.; Kenty, J. L.; Moudy, L. A.; Shaw, G. L.; Simpson, W. I.; Yang, J. J.

    1978-01-01

    The objective was to investigate and develop chemical vapor deposition (CVD) techniques for the growth of large areas of Si sheet on inexpensive substrate materials, with resulting sheet properties suitable for fabricating solar cells that would meet the technical goals of the Low Cost Silicon Solar Array Project. The program involved six main technical tasks: (1) modification and test of an existing vertical-chamber CVD reactor system; (2) identification and/or development of suitable inexpensive substrate materials; (3) experimental investigation of CVD process parameters using various candidate substrate materials; (4) preparation of Si sheet samples for various special studies, including solar cell fabrication; (5) evaluation of the properties of the Si sheet material produced by the CVD process; and (6) fabrication and evaluation of experimental solar cell structures, using impurity diffusion and other standard and near-standard processing techniques supplemented late in the program by the in situ CVD growth of n(+)/p/p(+) sheet structures subsequently processed into experimental cells.

  3. Fertilizer/Chemical Sales and Service Worker. Ohio's Competency Analysis Profile.

    ERIC Educational Resources Information Center

    Ohio State Univ., Columbus. Vocational Instructional Materials Lab.

    This Ohio Competency Analysis Profile (OCAP), derived from a modified Developing a Curriculum (DACUM) process, is a current comprehensive and verified employer competency program list for fertilizer/chemical sales and service workers. Each unit (with or without subunits) contains competencies and competency builders that identify the occupational,…

  4. Materials processing in space programs tasks. [NASA research tasks

    NASA Technical Reports Server (NTRS)

    Pentecost, E.

    1981-01-01

    Active research tasks as of the end of fiscal year 1981 of the materials processing in space program, NASA Office of Space and Terrestrial Applications are summarized to provide an overview of the program scope for managers and scientists in industry, university, and government communities. The program, its history, strategy, and overall goal are described the organizational structures and people involved are identified and a list of recent publications is given for each research task. Four categories: Crystal Growth; Solidification of Metals, Alloys, and Composites; Fluids, Transports, and Chemical Processes, and Ultrahigh Vacuum and Containerless Processing Technologies are used to group the tasks. Some tasks are placed in more than one category to insure complete coverage of each category.

  5. TECHNOLOGY EVALUATION REPORT: CHEMFIX TECHNOLOGIES, INC. - SOLIDIFICATION/STABILIZATION PROCESS - CLACKAMAS, OREGON - VOLUME I

    EPA Science Inventory

    The CHEMFIX solidification/stabilization process was evaluated in the U.S. Environment Protection Agency's SITE program. Waste from an uncontrolled hazardous waste site was treated by the CHEMFIX process and subjected to a variety of physical and chemical test methods. Physical t...

  6. TECHNOLOGY EVALUATION REPORT: CHEMFIX TECHNOLOGIES, INC. - SOLIDIFICATION/STABILIZATION PROCESS - CLACKAMAS, OREGON - VOLUME II

    EPA Science Inventory

    The CHEMFIX solidification/stabilization process was evaluated in the U.S. Environmental Protection Agency's SITE program. Waste from an uncontrolled hazardous waste site was treated by the CHEMFIX process and subjected to a variety of physical and chemical test methods. Physical...

  7. Occurrence and methods of control of chemical contaminants in foods.

    PubMed Central

    Jelinek, C

    1981-01-01

    Contamination of food by chemicals can result from their use on agricultural commodities; accidents or misuse during food handling and processing; nucler weapon testing and operation of nuclear power plants; and disposal of industrial chemicals or by-products with subsequent dispersal into the environment. The Food and Drug Administration (FDA), as the Federal agency mainly responsible for evaluating the hazards of chemical contaminants and enforcing any established tolerance levels for them in foods, has been monitoring pesticides, industrial chemicals, metals, and radionuclides in foods in its nationwide programs for many years. In addition, FDA searches for potential contaminants among the approximately 50,000 industrial chemicals manufactured in the United States and coordinates its efforts with those of other Federal and state agencies in these investigations. The overall results of the FDA surveillance and compliance programs for chemical contaminants in foods, as well as specific examples illustrating the wide range of incidents and types of occurrences, are presented. PMID:6786871

  8. 76 FR 16593 - Approval and Promulgation of Implementation Plans; South Carolina: Prevention of Significant...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-03-24

    ... ethanol through a natural fermentation process (hereafter referred to as the ``Ethanol Rule'') from the definition of ``chemical process plants'' in the major NSR permitting program. See 72 FR 24060 (May 1, 2007...

  9. Program For Simulation Of Trajectories And Events

    NASA Technical Reports Server (NTRS)

    Gottlieb, Robert G.

    1992-01-01

    Universal Simulation Executive (USE) program accelerates and eases generation of application programs for numerical simulation of continuous trajectories interrupted by or containing discrete events. Developed for simulation of multiple spacecraft trajectories with events as one spacecraft crossing the equator, two spacecraft meeting or parting, or firing rocket engine. USE also simulates operation of chemical batch processing factory. Written in Ada.

  10. The new role of HSE in chemical product development

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Purinton, R.J. Jr.; Manning, T.S.; Dowell, S.

    1996-11-01

    Today, Health, Safety, and Environmental issues take a more prominent role than ever before in chemical product development for the global oilfield service industry. Prior to widespread regulatory guidelines, technical problems were solved and well treatment programs were developed using the chemicals which performed the best and were the least expensive for the application. HSE concerns were sometimes addressed from a remedial standpoint, rather than a preventive one throughout the process. With a clearer understanding of the potential impact of chemicals upon people and the environment, along with the ever-increasing array of government regulations, service companies are taking a newmore » approach to product development. HSE-related risks and costs are being assessed early and continued throughout chemical development, with both product and treatment process features then designed accordingly. One service company reflects this approach with its {open_quotes}cradle-to-grave{close_quotes} Product Development and Stewardship program. Integral to this program are planned HSE assessments at each step of development, including Feasibility, Lab Development, Field Testing, Manufacturing, and Commercial Field Introduction. These assessments provide the data necessary to {open_quotes}engineer-in{close_quotes} solutions to potential HSE-related problems, produce viable Risk Management Plans, and promote a smoother path to commercialization. This avoids arriving at the commercial launch point with a product which poses unacceptably high personal or environmental risks, may be restricted or banned in key markets, or requires lengthy and expensive government registrations. In order to optimize R&E resources and ensure continuous evaluation, decision points (to continue, modify, or abandon) are built into the process. Early HSE screenings must be accurate but also relatively quick and inexpensive to be meaningful and economical.« less

  11. 40 CFR 68.73 - Mechanical integrity.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 16 2014-07-01 2014-07-01 false Mechanical integrity. 68.73 Section 68...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.73 Mechanical integrity. (a... accepted good engineering practices. (3) The frequency of inspections and tests of process equipment shall...

  12. Chemical Transformation System: Cloud Based ...

    EPA Pesticide Factsheets

    Integrated Environmental Modeling (IEM) systems that account for the fate/transport of organics frequently require physicochemical properties as well as transformation products. A myriad of chemical property databases exist but these can be difficult to access and often do not contain the proprietary chemicals that environmental regulators must consider. We are building the Chemical Transformation System (CTS) to facilitate model parameterization and analysis. CTS integrates a number of physicochemical property calculators into the system including EPI Suite, SPARC, TEST and ChemAxon. The calculators are heterogeneous in their scientific methodologies, technology implementations and deployment stacks. CTS also includes a chemical transformation processing engine that has been loaded with reaction libraries for human biotransformation, abiotic reduction and abiotic hydrolysis. CTS implements a common interface for the disparate calculators accepting molecular identifiers (SMILES, IUPAC, CAS#, user-drawn molecule) before submission for processing. To make the system as accessible as possible and provide a consistent programmatic interface, we wrapped the calculators in a standardized RESTful Application Programming Interface (API) which makes it capable of servicing a much broader spectrum of clients without constraints to interoperability such as operating system or programming language. CTS is hosted in a shared cloud environment, the Quantitative Environmental

  13. A Design Basis for Spacecraft Cabin Trace Contaminant Control

    NASA Technical Reports Server (NTRS)

    Perry, Jay L.

    2009-01-01

    Successful trace chemical contamination control is one of the components necessary for achieving good cabin atmospheric quality. While employing seemingly simple process technologies, sizing the active contamination control equipment must employ a reliable design basis for the trace chemical load in the cabin atmosphere. A simplified design basis that draws on experience gained from the International Space Station program is presented. The trace chemical contamination control design load refines generation source magnitudes and includes key chemical functional groups representing both engineering and toxicology challenges.

  14. Alternative Feedstocks Program Technical and Economic Assessment: Thermal/Chemical and Bioprocessing Components

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bozell, J. J.; Landucci, R.

    This resource document on biomass to chemicals opportunities describes the development of a technical and market rationale for incorporating renewable feedstocks into the chemical industry in both a qualitative and quantitative sense. The term "renewable feedstock?s" can be defined to include a huge number of materials such as agricultural crops rich in starch, lignocellulosic materials (biomass), or biomass material recovered from a variety of processing wastes.

  15. Chemistry Division. Quarterly progress report for period ending June 30, 1949

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    1949-09-14

    Progress reports are presented for the following tasks: (1) nuclear and chemical properties of heavy elements (solution chemistry, phase rule studies); (2) nuclear and chemical properties of elements in the fission product region; (3) general nuclear chemistry; (4) radio-organic chemistry; (5) chemistry of separations processes; (6) physical chemistry and chemical physics; (7) radiation chemistry; (8) physical measurements and instrumentation; and (9) analytical chemistry. The program of the chemistry division is divided into two efforts of approximately equal weight with respect to number of personnel, chemical research, and analytical service for the Laboratory. The various research problems fall into the followingmore » classifications: (1) chemical separation processes for isolation and recovery of fissionable material, production of radioisotopes, and military applications; (2) reactor development; and (3) fundamental research.« less

  16. NON-REGULATED CONTAMINANTS EMERGING RESEARCH, EXISTING AND FUTURE POLLUTANTS IN WATER SUPPLIES: OLD POLLUTANTS, NEW CONCERNS - NEW POLLUTANTS, UNKNOWN ISSUES

    EPA Science Inventory

    Those chemical pollutants that are regulated under various international, federal, and state programs represent but a small fraction of the universe of chemicals that occur in the environment as a result of both natural processes and human influence. Although this galaxy of targe...

  17. Application of LC/MS/MS Techniques to Development of US EPA Standardized Methods for Chemicals of Emerging Concern

    EPA Science Inventory

    This presentation will describe the U.S. EPA’s drinking water and ambient water method development program in relation to the process employed and the typical challenges encountered in developing standardized LC/MS/MS methods for chemicals of emerging concern. The EPA&rsquo...

  18. Determination of thermodynamic and transport parameters of naphthenic acids and organic process chemicals in oil sand tailings pond water.

    PubMed

    Wang, Xiaomeng; Robinson, Lisa; Wen, Qing; Kasperski, Kim L

    2013-07-01

    Oil sand tailings pond water contains naphthenic acids and process chemicals (e.g., alkyl sulphates, quaternary ammonium compounds, and alkylphenol ethoxylates). These chemicals are toxic and can seep through the foundation of the tailings pond to the subsurface, potentially affecting the quality of groundwater. As a result, it is important to measure the thermodynamic and transport parameters of these chemicals in order to study the transport behavior of contaminants through the foundation as well as underground. In this study, batch adsorption studies and column experiments were performed. It was found that the transport parameters of these chemicals are related to their molecular structures and other properties. The computer program (CXTFIT) was used to further evaluate the transport process in the column experiments. The results from this study show that the transport of naphthenic acids in a glass column is an equilibrium process while the transport of process chemicals seems to be a non-equilibrium process. At the end of this paper we present a real-world case study in which the transport of the contaminants through the foundation of an external tailings pond is calculated using the lab-measured data. The results show that long-term groundwater monitoring of contaminant transport at the oil sand mining site may be necessary to avoid chemicals from reaching any nearby receptors.

  19. Investigation of Dynamic and Physical Processes in the Upper Troposphere and Lower Stratosphere

    NASA Technical Reports Server (NTRS)

    Selkirk, Henry B.; Pfister, Leonhard (Technical Monitor)

    2002-01-01

    Research under this Cooperative Agreement has been funded by several NASA Earth Science programs: the Atmospheric Effects of Radiation Program (AEAP), the Upper Atmospheric Research Program (UARP), and most recently the Atmospheric Chemistry and Modeling Assessment Program (ACMAP). The purpose of the AEAP was to understand the impact of the present and future fleets of conventional jet traffic on the upper troposphere and lower stratosphere, while complementary airborne observations under UARP seek to understand the complex interactions of dynamical and chemical processes that affect the ozone layer. The ACMAP is a more general program of modeling and data analysis in the general area of atmospheric chemistry and dynamics, and the Radiation Sciences program.

  20. Survey of the US materials processing and manufacturing in space program

    NASA Technical Reports Server (NTRS)

    Mckannan, E. C.

    1981-01-01

    To promote potential commercial applications of low-g technology, the materials processing and manufacturing in space program is structured to: (1) analyze the scientific principles of gravitational effects on processes used in producing materials; (2) apply the research toward the technology used to control production process (on Earth or in space, as appropriate); and (3) establish the legal and managerial framework for commercial ventures. Presently federally funded NASA research is described as well as agreements for privately funded commercial activity, and a proposed academic participation process. The future scope of the program and related capabilities using ground based facilities, aircraft, sounding rockets, and space shuttles are discussed. Areas of interest described include crystal growth; solidification of metals and alloys; containerless processing; fluids and chemical processes (including biological separation processes); and processing extraterrestrial materials.

  1. CheD: chemical database compilation tool, Internet server, and client for SQL servers.

    PubMed

    Trepalin, S V; Yarkov, A V

    2001-01-01

    An efficient program, which runs on a personal computer, for the storage, retrieval, and processing of chemical information, is presented, The program can work both as a stand-alone application or in conjunction with a specifically written Web server application or with some standard SQL servers, e.g., Oracle, Interbase, and MS SQL. New types of data fields are introduced, e.g., arrays for spectral information storage, HTML and database links, and user-defined functions. CheD has an open architecture; thus, custom data types, controls, and services may be added. A WWW server application for chemical data retrieval features an easy and user-friendly installation on Windows NT or 95 platforms.

  2. Implementation of environmentally compliant cleaning and insulation bonding for MNASA

    NASA Technical Reports Server (NTRS)

    Hutchens, Dale E.; Keen, Jill M.; Smith, Gary M.; Dillard, Terry W.; Deweese, C. Darrell; Lawson, Seth W.

    1995-01-01

    Historically, many subscale and full-scale rocket motors have employed environmentally and physiologically harmful chemicals during the manufacturing process. This program examines the synergy and interdependency between environmentally acceptable materials for solid rocket motor insulation applications, bonding, corrosion inhibiting, painting, priming, and cleaning, and then implements new materials and processes in subscale motors. Tests have been conducted to eliminate or minimize hazardous chemicals used in the manufacture of modified-NASA materials test motor (MNASA) components and identify alternate materials and/or processes following NASA Operational Environmental Team (NOET) priorities. This presentation describes implementation of high pressure water refurbishment cleaning, aqueous precision cleaning using both Brulin 815 GD and Jettacin, and insulation case bonding using ozone depleting chemical (ODC) compliant primers and adhesives.

  3. Practicing chemical process safety: a look at the layers of protection.

    PubMed

    Sanders, Roy E

    2004-11-11

    This presentation will review a few public perceptions of safety in chemical plants and refineries, and will compare these plant workplace risks to some of the more traditional occupations. The central theme of this paper is to provide a "within-the-fence" view of many of the process safety practices that world class plants perform to pro-actively protect people, property, profits as well as the environment. It behooves each chemical plant and refinery to have their story on an image-rich presentation to stress stewardship and process safety. Such a program can assure the company's employees and help convince the community that many layers of safety protection within our plants are effective, and protect all from harm.

  4. Organic chemical aging mechanisms: An annotated bibliography. Waste Tank Safety Program

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Samuels, W.D.; Camaioni, D.M.; Nelson, D.A.

    1993-09-01

    An annotated bibliography has been compiled of the potential chemical and radiological aging mechanisms of the organic constituents (non-ferrocyanide) that would likely be found in the UST at Hanford. The majority of the work that has been conducted on the aging of organic chemicals used for extraction and processing of nuclear materials has been in conjunction with the acid or PUREX type processes. At Hanford the waste being stored in the UST has been stabilized with caustic. The aging factors that were used in this work were radiolysis, hydrolysis and nitrite/nitrate oxidation. The purpose of this work was two-fold: tomore » determine whether or not research had been or is currently being conducted on the species associated with the Hanford UST waste, either as a mixture or as individual chemicals or chemical functionalities, and to determine what areas of chemical aging need to be addressed by further research.« less

  5. NASA's Upper Atmosphere Research Program (UARP) and Atmospheric Chemistry Modeling and Analysis Program (ACMAP): Research Summaries 1997-1999

    NASA Technical Reports Server (NTRS)

    Kurylo, M. J.; DeCola, P. L.; Kaye, J. A.

    2000-01-01

    Under the mandate contained in the FY 1976 NASA Authorization Act, the National Aeronautics and Space Administration (NASA) has developed and is implementing a comprehensive program of research, technology development, and monitoring of the Earth's upper atmosphere, with emphasis on the upper troposphere and stratosphere. This program aims at expanding our chemical and physical understanding to permit both the quantitative analysis of current perturbations as well as the assessment of possible future changes in this important region of our environment. It is carried out jointly by the Upper Atmosphere Research Program (UARP) and the Atmospheric Chemistry Modeling and Analysis Program (ACMAP), both managed within the Research Division in the Office of Earth Science at NASA. Significant contributions to this effort have also been provided by the Atmospheric Effects of Aviation Project (AEAP) of NASA's Office of Aero-Space Technology. The long-term objectives of the present program are to perform research to: understand the physics, chemistry, and transport processes of the upper troposphere and the stratosphere and their control on the distribution of atmospheric chemical species such as ozone; assess possible perturbations to the composition of the atmosphere caused by human activities and natural phenomena (with a specific emphasis on trace gas geographical distributions, sources, and sinks and the role of trace gases in defining the chemical composition of the upper atmosphere); understand the processes affecting the distributions of radiatively active species in the atmosphere, and the importance of chemical-radiative-dynamical feedbacks on the meteorology and climatology of the stratosphere and troposphere; and understand ozone production, loss, and recovery in an atmosphere with increasing abundances of greenhouse gases. The current report is composed of two parts. Part 1 summarizes the objectives, status, and accomplishments of the research tasks supported under NASA UARP and ACMAP in a document entitled, Research Summaries 1997- 1999. Part 2 is entitled Present State of Knowledge of the Upper Atmosphere 1999 An Assessment Report.

  6. Source Physics Experiment Phase II, Dry Alluvium Geology (DAG) Experiments Using Nitromethane

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Traeger, Scott R.

    Need to provide briefing to the State of Nevada as part of the Permitting process for the Nevada Chemical Accident Prevention Program (CAPP) for use of nitromethane at the NNSS. This document will be accessible to the public as part of the CAPP program.

  7. European TV Brings Chemistry into the Home

    ERIC Educational Resources Information Center

    O'Sullivan, Dermot A.

    1975-01-01

    Describes television programs broadcast in the Netherlands and West Germany which explain what chemistry is all about. Both programs, planned under the direction of trained chemists, comprise 13 half-hour presentations and include segments on energy, polymers, chemical processes, the chemistry of life, atomic and molecular chemistry, and chemistry…

  8. A Rubric for Assessing Students' Experimental Problem-Solving Ability

    ERIC Educational Resources Information Center

    Shadle, Susan E.; Brown, Eric C.; Towns, Marcy H.; Warner, Don L.

    2012-01-01

    The ability to couple problem solving both to the understanding of chemical concepts and to laboratory practices is an essential skill for undergraduate chemistry programs to foster in our students. Therefore, chemistry programs must offer opportunities to answer real problems that require use of problem-solving processes used by practicing…

  9. The Graduate Training Program in Pharmacology at the University of Kansas School of Pharmacy

    ERIC Educational Resources Information Center

    Rutledge, Charles O.

    1976-01-01

    A multidisciplinary approach is used to teach the chemical mechanisms of biological processes and of drug action. Program prerequisites and objectives emphasize the training of creative scientists who are qualified to perform interesting and informative research on the interaction of drugs with biological systems. (LBH)

  10. ToxCast Workflow: High-throughput screening assay data processing, analysis and management (SOT)

    EPA Science Inventory

    US EPA’s ToxCast program is generating data in high-throughput screening (HTS) and high-content screening (HCS) assays for thousands of environmental chemicals, for use in developing predictive toxicity models. Currently the ToxCast screening program includes over 1800 unique c...

  11. Navy Aegis Ballistic Missile Defense (BMD) Program: Background and Issues for Congress

    DTIC Science & Technology

    2010-09-28

    co-development with Japan, for chemical vapor composite silicon carbide and silicon carbide corrugated mirror processes for the SM–3 Block IIA...all the more urgent in light of Iran’s continued uranium enrichment program. Iran continues to defy international obligations, and there continues to

  12. Characterization of PMR polyimide resin and prepreg

    NASA Technical Reports Server (NTRS)

    Lindenmeyer, P. H.; Sheppard, C. H.

    1984-01-01

    Procedures for the chemical characterization of PMR-15 resin solutions and graphite-reinforced prepregs were developed, and a chemical data base was established. In addition, a basic understanding of PMR-15 resin chemistry was gained; this was translated into effective processing procedures for the production of high quality graphite composites. During the program the PMR monomers and selected model compounds representative of postulated PMR-15 solution chemistry were acquired and characterized. Based on these data, a baseline PMR-15 resin was formulated and evaluated for processing characteristics and composite properties. Commercially available PMR-15 resins were then obtained and chemically characterized. Composite panels were fabricated and evaluated.

  13. Holistic Watershed-Scale Approach for Studying Agricultural Chemicals

    NASA Astrophysics Data System (ADS)

    Capel, P. D.; Domagalski, J. L.

    2006-05-01

    The USGS National Water-Quality Assessment (NAWQA) Program studied the water quality of 51 areas across the United States during its first decade (1991-2001). Analyses of results from that phase of the NAWQA Program indicated that detailed studies of the processes affecting water quality could aid in the interpretation of these data, help to determine the direction and scope of future monitoring studies, and add to the understanding of the sources, transport and fate of non-point source chemicals, such as from agriculture. Now in the second decade of investigations, the NAWQA Program has initiated new process-based detailed studies to increase our understanding at the scale of a small watershed (about 3-15 square kilometers), nested within the larger basins studied during the first decade. The holistic, mass-budget approach for small agricultural watersheds that was adopted includes processes, and measures water and chemicals in the atmosphere, surface water, tile drains, overland flow, and within various sub-surface environments including the vadose, saturated, and hyporheic zones. The primary chemicals of interest were nutrients (nitrogen and phosphorous), the triazine and acetanilide herbicides, and the organophosphorus insecticides. Extensive field observations were made, and numerical models were developed to simulate important environmental compartments and interfaces associated with the transport and fate of agricultural chemicals. It is well recognized that these field measurements and simulations cannot fully achieve a full mass budget at this scale, but the approach provides a useful means for comparisons of various processes in different environmental settings. The results gained using this approach will add to the general knowledge of environmental transport and fate processes, and have transfer value to unstudied areas and different scales of investigation. The five initial study areas started in 2002, included watersheds in California, Indiana, Maryland, Nebraska and Washington. Two watersheds in Iowa and Mississippi were added in 2005. Each of these areas adopted the same general study design, but modified it slightly based on the local environmental setting. Consistent field and laboratory methods were used to enable direct comparison of results from each study area. This presentation of the study goals, design, and methods will serve as an introduction to other talks in this symposium.

  14. Sustainable Futures

    EPA Pesticide Factsheets

    Sustainable Futures is a voluntary program that encourages industry to use predictive models to screen new chemicals early in the development process and offers incentives to companies subject to TSCA section 5.

  15. Biotechnology and genetic engineering in the new drug development. Part III. Biocatalysis, metabolic engineering and molecular modelling.

    PubMed

    Stryjewska, Agnieszka; Kiepura, Katarzyna; Librowski, Tadeusz; Lochyński, Stanisław

    2013-01-01

    Industrial biotechnology has been defined as the use and application of biotechnology for the sustainable processing and production of chemicals, materials and fuels. It makes use of biocatalysts such as microbial communities, whole-cell microorganisms or purified enzymes. In the review these processes are described. Drug design is an iterative process which begins when a chemist identifies a compound that displays an interesting biological profile and ends when both the activity profile and the chemical synthesis of the new chemical entity are optimized. Traditional approaches to drug discovery rely on a stepwise synthesis and screening program for large numbers of compounds to optimize activity profiles. Over the past ten to twenty years, scientists have used computer models of new chemical entities to help define activity profiles, geometries and relativities. This article introduces inter alia the concepts of molecular modelling and contains references for further reading.

  16. NON-REGULATED CONTAMINANTS EMERGING ...

    EPA Pesticide Factsheets

    Those chemical pollutants that are regulated under various international, federal, and state programs represent but a small fraction of the universe of chemicals that occur in the environment as a result of both natural processes and human influence. Although this galaxy of targeted chemicals might be minuscule compared with the universe of both known and yet-to-be identified chemicals, an implicit assumption is that these selective lists of chemicals are responsible for the most significant share of risk with respect to environmental or economic impairment or to human health. This presentation examines the less-discussed aspects of the background and assumptions that underlie society's

  17. CELSS research and development program

    NASA Technical Reports Server (NTRS)

    Bubenheim, David

    1990-01-01

    Research in Controlled Ecological Life Support Systems (CELSS) conducted by NASA indicate that plant based systems are feasible candidates for human support in space. Ames has responsibility for research and development, systems integration and control, and space flight experiment portions of the CELSS program. Important areas for development of new methods and technologies are biomass production, waste processing, water purification, air revitalization, and food processing. For the plant system, the approach was to identify the flexibility and response time for the food, water, and oxygen production, and carbon dioxide consumption processes. Tremendous increases in productivity, compared with terrestrial agriculture, were realized. Waste processing research emphasizes recycle (transformation) of human wastes, trash, and inedible biomass to forms usable as inputs to the plant production system. Efforts to improve efficiency of the plant system, select new CELSS crops for a balanced diet, and initiate closed system research with the Crop Growth Research Chambers continue. The System Control and Integration program goal is to insure orchestrated system operation of the biological, physical, and chemical operation of the biological, physical, and chemical component processors of the CELSS. Space flight studies are planned to verify adequate operation of the system in reduced gravity or microgravity environments.

  18. MICHIGAN SOIL VAPOR EXTRACTION REMEDIATION (MISER) MODEL: A COMPUTER PROGRAM TO MODEL SOIL VAPOR EXTRACTION AND BIOVENTING OF ORGANIC CHEMICALS IN UNSATURATED GEOLOGICAL MATERIAL

    EPA Science Inventory

    Soil vapor extraction (SVE) and bioventing (BV) are proven strategies for remediation of unsaturated zone soils. Mathematical models are powerful tools that can be used to integrate and quantify the interaction of physical, chemical, and biological processes occurring in field sc...

  19. A Critical Assessment of the Performance of Protein-ligand Scoring Functions Based on NMR Chemical Shift Perturbations

    PubMed Central

    Wang, Bing; Westerhoff, Lance M.; Merz, Kenneth M.

    2008-01-01

    We have generated docking poses for the FKBP-GPI complex using eight docking programs, and compared their scoring functions with scoring based on NMR chemical shift perturbations (NMRScore). Because the chemical shift perturbation (CSP) is exquisitely sensitive on the orientation of ligand inside the binding pocket, NMRScore offers an accurate and straightforward approach to score different poses. All scoring functions were inspected by their abilities to highly rank the native-like structures and separate them from decoy poses generated for a protein-ligand complex. The overall performance of NMRScore is much better than that of energy-based scoring functions associated with docking programs in both aspects. In summary, we find that the combination of docking programs with NMRScore results in an approach that can robustly determine the binding site structure for a protein-ligand complex, thereby, providing a new tool facilitating the structure-based drug discovery process. PMID:17867664

  20. 10 CFR 70.62 - Safety program and integrated safety analysis.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ...; (iv) Potential accident sequences caused by process deviations or other events internal to the... of occurrence of each potential accident sequence identified pursuant to paragraph (c)(1)(iv) of this... have experience in nuclear criticality safety, radiation safety, fire safety, and chemical process...

  1. 10 CFR 70.62 - Safety program and integrated safety analysis.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ...; (iv) Potential accident sequences caused by process deviations or other events internal to the... of occurrence of each potential accident sequence identified pursuant to paragraph (c)(1)(iv) of this... have experience in nuclear criticality safety, radiation safety, fire safety, and chemical process...

  2. 10 CFR 70.62 - Safety program and integrated safety analysis.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ...; (iv) Potential accident sequences caused by process deviations or other events internal to the... of occurrence of each potential accident sequence identified pursuant to paragraph (c)(1)(iv) of this... have experience in nuclear criticality safety, radiation safety, fire safety, and chemical process...

  3. Trace contaminant control simulation computer program, version 8.1

    NASA Technical Reports Server (NTRS)

    Perry, J. L.

    1994-01-01

    The Trace Contaminant Control Simulation computer program is a tool for assessing the performance of various process technologies for removing trace chemical contamination from a spacecraft cabin atmosphere. Included in the simulation are chemical and physical adsorption by activated charcoal, chemical adsorption by lithium hydroxide, absorption by humidity condensate, and low- and high-temperature catalytic oxidation. Means are provided for simulating regenerable as well as nonregenerable systems. The program provides an overall mass balance of chemical contaminants in a spacecraft cabin given specified generation rates. Removal rates are based on device flow rates specified by the user and calculated removal efficiencies based on cabin concentration and removal technology experimental data. Versions 1.0 through 8.0 are documented in NASA TM-108409. TM-108409 also contains a source file listing for version 8.0. Changes to version 8.0 are documented in this technical memorandum and a source file listing for the modified version, version 8.1, is provided. Detailed descriptions for the computer program subprograms are extracted from TM-108409 and modified as necessary to reflect version 8.1. Version 8.1 supersedes version 8.0. Information on a separate user's guide is available from the author.

  4. Catalysis and biocatalysis program

    NASA Technical Reports Server (NTRS)

    1991-01-01

    The annual report presents the fiscal year (FY) 1990 research activities and accomplishments for the Catalysis and Biocatalysis Program of the Advanced Industrial Concepts Division (AICD), Office of Industrial Technologies of the Department of Energy (DOE). The mission of the AICD is to create a balanced program of high risk, long term, directed interdisciplinary research and development that will improve energy efficiency and enhance fuel flexibility in the industrial sector. The Catalysis and Biocatalysis Program's technical activities were organized into five work elements: the Molecular Modeling and Catalysis by Design element; the Applied Microbiology and Genetics element; the Bioprocess Engineering element; the Separations and Novel Chemical Processes element; and the Process Design and Analysis element.

  5. Anlysis capabilities for plutonium-238 programs

    NASA Astrophysics Data System (ADS)

    Wong, A. S.; Rinehart, G. H.; Reimus, M. H.; Pansoy-Hjelvik, M. E.; Moniz, P. F.; Brock, J. C.; Ferrara, S. E.; Ramsey, S. S.

    2000-07-01

    In this presentation, an overview of analysis capabilities that support 238Pu programs will be discussed. These capabilities include neutron emission rate and calorimetric measurements, metallography/ceramography, ultrasonic examination, particle size determination, and chemical analyses. The data obtained from these measurements provide baseline parameters for fuel clad impact testing, fuel processing, product certifications, and waste disposal. Also several in-line analyses capabilities will be utilized for process control in the full-scale 238Pu Aqueous Scrap Recovery line in FY01.

  6. Navy Aegis Ballistic Missile Defense (BMD) Program: Background and Issues for Congress

    DTIC Science & Technology

    2011-04-19

    for SM-3 Block IIA co-development with Japan, for chemical vapor composite silicon carbide and silicon carbide corrugated mirror processes for the SM...to say, this concern is all the more urgent in light of Iran’s continued uranium enrichment program. Iran continues to defy international obligations

  7. CHEMICAL STABILIZATION OF MIXED ORGANIC AND METAL COMPOUNDS - EPA SITE PROGRAM DEMONSTRATION OF THE SILICATE TECHNOLOGY CORPORATION PROCESS

    EPA Science Inventory

    In November 1990, the Silicate Technology Corporation`s (STC) proprietary process for treating soil contaminated with toxic semivolatile organic and inorganic contaminants was evaluated in a Superfund Innovative Technology Evaluation (SITE) field demonstration at the Selma Pressu...

  8. 40 CFR 161.162 - Description of production process.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... PROGRAMS DATA REQUIREMENTS FOR REGISTRATION OF ANTIMICROBIAL PESTICIDES Product Chemistry Data Requirements...) A flow chart of the chemical equations of each intended reaction occurring at each step of the...

  9. Environmental research program for slagging fixed-bed coal gasification. Status report, November 1981

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wilzbach, K. E.; Stetter, J. R.; Reilly, Jr., C. A.

    1982-02-01

    A collaborative environmental research program to provide information needed to assess the health and environmental effects associated with large-scale coal gasification technology is being conducted by Argonne National Laboratory (ANL) and the Grand Forks Energy Technology Center (GFETC). The objectives are to: investigate the toxicology and chemical composition of coal gasification by-products as a function of process variables and coal feed; compare the characteristics of isokinetic side-stream samples with those of process stream samples; identify the types of compounds responsible for toxicity; evaluate the chemical and toxicological effectiveness of various wastewater treatment operations; refine methodology for the collection and measurementmore » of organic vapors and particulates in workplace air; and obtain preliminary data on workplace air quality. So far the toxicities of a set of process stream samples (tar, oil, and gas liquor) and side-stream condensates from the GFETC gasifier have been measured in a battery of cellular screening tests for mutagenicity and cytotoxicity. Preliminary data on the effects of acute and chronic exposures of laboratory animals to process tar have been obtained. The process tar has been chemically fractionated and the distribution of mutagenicity and compound types among the fractions has been determined. Organic vapors and particulates collected at various times and locations in the gasifier building have been characterized.« less

  10. Class and Home Problems: Modeling of an Industrial Anaerobic Digester: A Case Study for Undergraduate Students

    ERIC Educational Resources Information Center

    Durruty, Ignacio; Ayude, María A.

    2014-01-01

    The case study discussed in this work is used at the chemical reaction engineering course, offered in fifth-year of the chemical engineering undergraduate program at National University of Mar del Plata (UNMdP). A serial-parallel reaction system based on the anaerobic degradation of particulate-containing potato processing wastewater is presented.…

  11. Chemical structure and dynamics: Annual report 1996

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Colson, S.D.; McDowell, R.S.

    1997-03-01

    The Chemical Structure and Dynamics (CS&D) program is a major component of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) developed by Pacific Northwest National Laboratory (PNNL) to provide a state-of-the-art collaborative facility for studies of chemical structure and dynamics. We respond to the need for a fundamental, molecular-level understanding of chemistry at a wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interfacial chemical processes within which the new knowledge generated can bemore » brought to bear on complex phenomena in environmental chemistry and in nuclear waste processing and storage; and (3) developing state-of-the-art analytical methods for characterizing waste tanks and pollutant distributions, and for detecting and monitoring trace atmospheric species.« less

  12. Planning guidance for the Chemical Stockpile Emergency Preparedness Program

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Shumpert, B.L.; Watson, A.P.; Sorensen, J.H.

    1995-02-01

    This planning guide was developed under the direction of the U.S. Army and the Federal Emergency Management Agency (FEMA) which jointly coordinate and direct the development of the Chemical Stockpile Emergency Preparedness Program (CSEPP). It was produced to assist state, local, and Army installation planners in formulating and coordinating plans for chemical events that may occur at the chemical agent stockpile storage locations in the continental United States. This document provides broad planning guidance for use by both on-post and off-post agencies and organizations in the development of a coordinated plan for responding to chemical events. It contains checklists tomore » assist in assuring that all important aspects are included in the plans and procedures developed at each Chemical Stockpile Disposal Program (CSDP) location. The checklists are supplemented by planning guidelines in the appendices which provide more detailed guidance regarding some issues. The planning guidance contained in this document will help ensure that adequate coordination between on-post and off-post planners occurs during the planning process. This planning guide broadly describes an adequate emergency planning base that assures that critical planning decisions will be made consistently at every chemical agent stockpile location. This planning guide includes material drawn from other documents developed by the FEMA, the Army, and other federal agencies with emergency preparedness program responsibilities. Some of this material has been developed specifically to meet the unique requirements of the CSEPP. In addition to this guidance, other location-specific documents, technical studies, and support studies should be used as needed to assist in the planning at each of the chemical agent stockpile locations to address the specific hazards and conditions at each location.« less

  13. Factors affecting the process performance of biofiltration

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kopchynski, D.M.; Farmer, R.W.; Maier, W.J.

    1996-11-01

    Biofiltration is an emerging biological treatment technology for the removal of airborne VOCs from industrial process waste streams. Removal of air-phase VOCs by biofiltration is accomplished by contacting a process airstream with an active microbial biofilm attached to a solid phase packing. VOCs that partition into the biofilm are aerobically oxidized to the endproducts of water, carbon dioxide and salts. A multiple reactor biofiltration pilot plant test program has been in progress at the University of Minnesota Environmental Engineering Laboratories since 1992. The primary goal of the program is to study factors that affect biofiltration process performance. Initial results ofmore » this test program were reported in a previous conference paper and master`s thesis. This paper presents the results of more recent studies that focus on the effects of: (1) biofilm accumulation (which in turn causes a decrease in biofilter bed porosity and packing bed surface area), (2) rates of nutrient addition, and (3) chemical properties of the target contaminant, on biofiltration removal performance. Removal performance was evaluated by determining biofilter removal capacities and efficiencies for various substrate feeds. The performance parameters were measured under constant contaminant inlet concentrations and under constant temperature. Three VOCs were selected for study and they are: MEK, (methyl ethyl ketone), xylene, and hexane. MEK, xylene, and hexane were chosen because they are representative of widely used industrial solvents and they have significantly different Henry`s law constants relative to each other (the MEK value < Xylene value < Hexane value). Henry`s law constants quantify the partitioning of a chemical between the air and water-biofilm phase and therefore can be used to correlate the effect of chemical properties on biofilter removal capacities. This paper also introduces a new model for the biofiltration process.« less

  14. CFD Code Development for Combustor Flows

    NASA Technical Reports Server (NTRS)

    Norris, Andrew

    2003-01-01

    During the lifetime of this grant, work has been performed in the areas of model development, code development, code validation and code application. For model development, this has included the PDF combustion module, chemical kinetics based on thermodynamics, neural network storage of chemical kinetics, ILDM chemical kinetics and assumed PDF work. Many of these models were then implemented in the code, and in addition many improvements were made to the code, including the addition of new chemistry integrators, property evaluation schemes, new chemistry models and turbulence-chemistry interaction methodology. Validation of all new models and code improvements were also performed, while application of the code to the ZCET program and also the NPSS GEW combustor program were also performed. Several important items remain under development, including the NOx post processing, assumed PDF model development and chemical kinetic development. It is expected that this work will continue under the new grant.

  15. NON-REGULATED WATER CONTAMINANTS: EMERGING ...

    EPA Pesticide Factsheets

    Those chemical pollutants that are regulated under various international, federal, and state programs represent but a small fraction of the universe of chemicals that occur in the environment as a result of both natural processes and human influence. Although this galaxy of targeted chemicals might be minuscule compared with the universe of both known and yet-to-be identified chemicals, an implicit assumption is that these selective lists of chemicals are responsible for the most significant share of risk with respect to environmental or economic impairment or to human health. This paper examines some of the less discussed aspects of the background and assumptions that underlie society's

  16. Open Learning for Process Operators. ZIFF Papiere 78.

    ERIC Educational Resources Information Center

    Geary, David

    This document describes the development and implementation of an open learning course for shift operators who work in British process industries. The course was developed collaboratively during 1979-82 by B.P. Chemicals Ltd. and Grimsby College of Technology and Arts, using the Business and Technician Education Council certification program.…

  17. PILOT PLANT STUDY OF CONVERSION OF COAL TO LOW SULFUR FUEL

    EPA Science Inventory

    The report gives results of a program to develop, on bench and pilot scales, operating conditions for the key step in the IGT process to desulfurize coal by thermal and chemical treatment. This process, to date, uses the 'sulfur-getter' concept. (A sulfur-getter is a material tha...

  18. Advanced development: Fuels

    NASA Astrophysics Data System (ADS)

    Ramohalli, K.

    1981-05-01

    The solar thermal fuels and chemicals program at Jet Propulsion Laboratory are described. High technology is developed and applied to displace fossil fuel (oil) use in the production/processing of valuable fuels and chemicals. The technical and economic feasibility is demonstrated to extent that enables the industry to participate and commercialize the product. A representative process, namely Furfural production with a bottoming of acetone, butanol and ethanol, is described. Experimental data from all solar production of furfural is discussed. Estimates are given to show the attractiveness of this process, considering its flexibility to be adaptable to dishes, troughs or central receivers. Peat, lignite and low rank coal processing, heavy oil stripping and innovative technologies for process diagnostics and control are mentioned as examples of current projects under intensive development.

  19. Advanced development: Fuels

    NASA Technical Reports Server (NTRS)

    Ramohalli, K.

    1981-01-01

    The solar thermal fuels and chemicals program at Jet Propulsion Laboratory are described. High technology is developed and applied to displace fossil fuel (oil) use in the production/processing of valuable fuels and chemicals. The technical and economic feasibility is demonstrated to extent that enables the industry to participate and commercialize the product. A representative process, namely Furfural production with a bottoming of acetone, butanol and ethanol, is described. Experimental data from all solar production of furfural is discussed. Estimates are given to show the attractiveness of this process, considering its flexibility to be adaptable to dishes, troughs or central receivers. Peat, lignite and low rank coal processing, heavy oil stripping and innovative technologies for process diagnostics and control are mentioned as examples of current projects under intensive development.

  20. Materials processing in space, 1980 science planning document. [crystal growth, containerless processing, solidification, bioprocessing, and ultrahigh vacuum processes

    NASA Technical Reports Server (NTRS)

    Naumann, R. J.

    1980-01-01

    The scientific aspects of the Materials Processing in Space program are described with emphasis on the major categories of interest: (1) crystal growth; (2) solidification of metals, alloys, and composites; (3) fluids and chemical processes; (4) containerless processing, glasses, and refractories; (5) ultrahigh vacuum processes; and (6) bioprocessing. An index is provided for each of these areas. The possible contributions that materials science experiments in space can make to the various disciplines are summarized, and the necessity for performing experiments in space is justified. What has been learned from previous experiments relating to space processing, current investigations, and remaining issues that require resolution are discussed. Recommendations for the future direction of the program are included.

  1. American Chemical Society. 23rd Great Lakes Regional Meeting. Program and abstracts

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    1990-01-01

    The technical program includes some 250 papers in 38 sessions, featuring 16 symposia with 99 invited speakers. Program highlights include a plenary lecture, The Origin and Consequences of Scientific Illiteracy, by Jon D. Miller. Sessions for general technical papers are scheduled in the following categories: analytical chemistry; biochemistry; inorganic chemistry; organic chemistry; and physical chemistry. Papers have been processed for inclusion on the data base.

  2. ECUT: Energy Conversion and utilization Technologies program biocatalysis research activity. Generation of chemical intermediates by catalytic oxidative decarboxylation of dilute organic acids

    NASA Technical Reports Server (NTRS)

    Distefano, S.; Gupta, A.; Ingham, J. D.

    1983-01-01

    A rhodium-based catalyst was prepared and preliminary experiments were completed where the catalyst appeared to decarboxylate dilute acids at concentrations of 1 to 10 vol%. Electron spin resonance spectroscoy was used to characterize the catalyst as a first step leading toward modeling and optimization of rhodium catalysts. Also, a hybrid chemical/biological process for the production of hydrocarbons has been assessed. These types of catalysts could greatly increase energy efficiency of this process.

  3. A Chemical Model of the Coma of Comet C/2009 P1 (Garradd)

    NASA Astrophysics Data System (ADS)

    Boice, Daniel C.; Kawakita, H.; Kobayashi, H.; Naka, C.; Phelps, L.

    2012-10-01

    Modeling is essential to understand the important physical and chemical processes that occur in cometary comae. Photochemistry is a major source of ions and electrons that further initiate key gas-phase reactions, leading to the plethora of molecules and atoms observed in comets. The effects of photoelectrons that react via impacts are important to the overall ionization. We identify the relevant processes within a global modeling framework to understand simultaneous observations in the visible and near-IR of Comet C/2009 (Garradd) and to provide valuable insights into the intrinsic properties of its nucleus. Details of these processes are presented in the collision-dominated, inner coma of the comet to evaluate the relative chemical pathways and the relationship between parent and sibling molecules. Acknowledgements: We appreciate support from the NSF Planetary Astronomy Program.

  4. Chemical vapor infiltration of TiB{sub 2} fibrous composites

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Besmann, T.M.

    1997-04-01

    This program is designed to develop a Hall-Heroult aluminum smelting cathode with substantially improved properties. The carbon cathodes in current use require significant anode-to-cathode spacing in order to prevent shorting, causing significant electrical inefficiencies. This is due to the non-wettability of carbon by aluminum which causes instability in the cathodic aluminum pad. It is suggested that a fiber reinforced-TiB{sub 2} matrix composite would have the requisite wettability, strength, strain-to-failure, cost, and lifetime to solve this problem. The approach selected to fabricate such a cathode material is chemical vapor infiltration (CVI). This process produces high purity matrix TiB{sub 2} without damagingmore » the relatively fragile fibers. The program is designed to evaluate potential fiber reinforcements, fabricate test specimens, and scale the process to provide demonstration components.« less

  5. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dafler, J.R.; Sinnott, J.; Novil, M.

    The first phase of a study to identify candidate processes and products suitable for future exploitation using high-temperature solar energy is presented. This phase has been principally analytical, consisting of techno-economic studies, thermodynamic assessments of chemical reactions and processes, and the determination of market potentials for major chemical commodities that use significant amounts of fossil resources today. The objective was to identify energy-intensive processes that would be suitable for the production of chemicals and fuels using solar energy process heat. Of particular importance was the comparison of relative costs and energy requirements for the selected solar product versus costs formore » the product derived from conventional processing. The assessment methodology used a systems analytical approach to identify processes and products having the greatest potential for solar energy-thermal processing. This approach was used to establish the basis for work to be carried out in subsequent phases of development. It has been the intent of the program to divide the analysis and process identification into the following three distinct areas: (1) process selection, (2) process evaluation, and (3) ranking of processes. Four conventional processes were selected for assessment namely, methanol synthesis, styrene monomer production, vinyl chloride monomer production, and terephthalic acid production.« less

  6. Chemical Recycling of Molecules in Cometary Comae

    NASA Astrophysics Data System (ADS)

    Boice, Daniel C.; Kawakita, Hideyo; Shinnaka, Yoshiharu; Kobayashi, Hitomi

    2015-08-01

    Modeling is essential to understand the important physical and chemical processes that occur in cometary comae, especially the relationship between native and sibling molecules, such as, HCN and CN. Photochemistry is a major source of ions and electrons that further initiate key gas-phase reactions, leading to the plethora of molecules and atoms observed in comets. The effects of photoelectrons that react via impacts are important to the overall ionization in the inner coma. We have found that many molecules undergo protonation reactions with primarily water, followed by electron recombination resulting in the original molecules in a vibrationally excited state. These excited molecules spontaneously emit photons back to the ground state. We identify this series of reactions as chemical “recycling.” We discuss the importance of this mechanism for HCN, NH3, and water in comets. We also identify other relevant processes in the collision-dominated, inner coma of a comet within a global modeling framework to better understand observations and in situ measurements of cometary species, especially relationships between native and sibling molecules for the Rosetta Mission to Comet 67P/Churyumov-Gerasimenko.Acknowledgements: We appreciate support from the NSF Planetary Astronomy Program under Grant No. 0908529. This program is partially supported by the MEXT Supported Program for the Strategic Research Foundation at Private Universities, 2014-2018.

  7. Alternative Solvents/Technologies for Paint Stripping: Phase 1.

    DTIC Science & Technology

    1994-03-01

    processes . Three phases of study are defined: Phase I, identify alternate solvents/strippers and screen them; Phase II, field test solvent/ strippers...Section Title Page 1 Metal Refinishing Process - Immersion Method ............... 8 2 Phase Summary Chart ........................ 12 3 The...of the following: (a) nontoxic chemical formulations, (b) new process development, and (c) new coating reformulations. This program consists of three

  8. Seventh BES (Basic Energy Sciences) catalysis and surface chemistry research conference

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    1990-03-01

    Research programs on catalysis and surface chemistry are presented. A total of fifty-seven topics are included. Areas of research include heterogeneous catalysis; catalysis in hydrogenation, desulfurization, gasification, and redox reactions; studies of surface properties and surface active sites; catalyst supports; chemical activation, deactivation; selectivity, chemical preparation; molecular structure studies; sorption and dissociation. Individual projects are processed separately for the data bases. (CBS)

  9. Quasi-programmed aging of budding yeast: a trade-off between programmed processes of cell proliferation, differentiation, stress response, survival and death defines yeast lifespan

    PubMed Central

    Arlia-Ciommo, Anthony; Piano, Amanda; Leonov, Anna; Svistkova, Veronika; Titorenko, Vladimir I

    2014-01-01

    Recent findings suggest that evolutionarily distant organisms share the key features of the aging process and exhibit similar mechanisms of its modulation by certain genetic, dietary and pharmacological interventions. The scope of this review is to analyze mechanisms that in the yeast Saccharomyces cerevisiae underlie: (1) the replicative and chronological modes of aging; (2) the convergence of these 2 modes of aging into a single aging process; (3) a programmed differentiation of aging cell communities in liquid media and on solid surfaces; and (4) longevity-defining responses of cells to some chemical compounds released to an ecosystem by other organisms populating it. Based on such analysis, we conclude that all these mechanisms are programs for upholding the long-term survival of the entire yeast population inhabiting an ecological niche; however, none of these mechanisms is a ʺprogram of agingʺ - i.e., a program for progressing through consecutive steps of the aging process. PMID:25485579

  10. [Design of an HACCP program for a cocoa processing facility].

    PubMed

    López D'Sola, Patrizia; Sandia, María Gabriela; Bou Rached, Lizet; Hernández Serrano, Pilar

    2012-12-01

    The HACCP plan is a food safety management tool used to control physical, chemical and biological hazards associated to food processing through all the processing chain. The aim of this work is to design a HACCP Plan for a Venezuelan cocoa processing facility.The production of safe food products requires that the HACCP system be built upon a solid foundation of prerequisite programs such as Good Manufacturing Practices (GMP) and Sanitation Standard Operating Procedures (SSOP). The existence and effectiveness of these prerequisite programs were previously assessed.Good Agriculture Practices (GAP) audit to cocoa nibs suppliers were performed. To develop the HACCP plan, the five preliminary tasks and the seven HACCP principles were accomplished according to Codex Alimentarius procedures. Three Critical Control Points (CCP) were identified using a decision tree: winnowing (control of ochratoxin A), roasting (Salmonella control) and metallic particles detection. For each CCP, Critical limits were established, the Monitoring procedures, Corrective actions, Procedures for Verification and Documentation concerning all procedures and records appropriate to these principles and their application was established. To implement and maintain a HACCP plan for this processing plant is suggested. Recently OchratoxinA (OTA) has been related to cocoa beans. Although the shell separation from the nib has been reported as an effective measure to control this chemical hazard, ochratoxin prevalence study in cocoa beans produced in the country is recommended, and validate the winnowing step as well

  11. A status of progress for the Laser Isotope Separation (LIS) process

    NASA Technical Reports Server (NTRS)

    Delionback, L. M.

    1976-01-01

    An overview of the Laser Isotope Separation (LIS) methodology is given together with illustrations showing a simplified version of the LIS technique, an example of the two-photon photoionization category, and a diagram depicting how the energy levels of various isotope influence the LIS process. Applications were proposed for the LIS system which, in addition to enriching uranium, could in themselves develop into programs of tremendous scope and breadth. These include the treatment of radioactive wastes from light-water nuclear reactors, enriching the deuterium isotope to make heavy-water, and enriching the light isotopes of such elements as titanium for aerospace weight-reducing programs. Economic comparisons of the LIS methodology with the current method of gaseous diffusion indicate an overwhelming advantage; the laser process promises to be 1000 times more efficient. The technique could also be utilized in chemical reactions with the tuned laser serving as a universal catalyst to determine the speed and direction of a chemical reaction.

  12. The southern plains LTAR watershed research program

    Treesearch

    Patrick Starks; Jean L. Steiner

    2016-01-01

    Water connects physical, biological, chemical, ecological, and economic forces across the landscape. While hydrologic processes and scientific investigations related to sustainable agricultural systems are based on universal principles, research to understand processes and evaluate management practices is often site-specific in order to achieve a critical mass of...

  13. Sanitary Engineering Unit Operations and Unit Processes Laboratory Manual.

    ERIC Educational Resources Information Center

    American Association of Professors in Sanitary Engineering.

    This manual contains a compilation of experiments in Physical Operations, Biological and Chemical Processes for various education and equipment levels. The experiments are designed to be flexible so that they can be adapted to fit the needs of a particular program. The main emphasis is on hands-on student experiences to promote understanding.…

  14. THE SCIENTIFIC BASIS OF NOAA'S AIR QUALITY FORECASTING PROGRAM

    EPA Science Inventory

    For many years, the National Oceanic and Atmospheric Administration (NOAA) has conducted atmospheric research, including chemical and physical measurements, process studies, and the development and evaluation of experimental meteorological and photochemical air quality models. ...

  15. Model tool to describe chemical structures in XML format utilizing structural fragments and chemical ontology.

    PubMed

    Sankar, Punnaivanam; Alain, Krief; Aghila, Gnanasekaran

    2010-05-24

    We have developed a model structure-editing tool, ChemEd, programmed in JAVA, which allows drawing chemical structures on a graphical user interface (GUI) by selecting appropriate structural fragments defined in a fragment library. The terms representing the structural fragments are organized in fragment ontology to provide a conceptual support. ChemEd describes the chemical structure in an XML document (ChemFul) with rich semantics explicitly encoding the details of the chemical bonding, the hybridization status, and the electron environment around each atom. The document can be further processed through suitable algorithms and with the support of external chemical ontologies to generate understandable reports about the functional groups present in the structure and their specific environment.

  16. Opportunities for the chemical industry in space, part 1

    NASA Technical Reports Server (NTRS)

    1984-01-01

    The chemical/petrochemical industry devotes a large percentage of its gross income to research and development, with much of its R and D of a long-term nature. As the chemical industry is examined as a candidate for space investigations, it is readily apparent that research and development in the space environment may lead to attractive commercial opportunities. The advantages of low gravity manufacturing, with a particular emphasis on chemical catalysts, are presented herein specifically for the chemical industry. Research from the Skylab program and Apollo Soyuz test project is reviewed, including acoustic levitation, crystal growth, and container less melts. Space processing of composite materials, alloys, and coatings is also discussed.

  17. An object-oriented software for fate and exposure assessments.

    PubMed

    Scheil, S; Baumgarten, G; Reiter, B; Schwartz, S; Wagner, J O; Trapp, S; Matthies, M

    1995-07-01

    The model system CemoS(1) (Chemical Exposure Model System) was developed for the exposure prediction of hazardous chemicals released to the environment. Eight different models were implemented involving chemicals fate simulation in air, water, soil and plants after continuous or single emissions from point and diffuse sources. Scenario studies are supported by a substance and an environmental data base. All input data are checked on their plausibility. Substance and environmental process estimation functions facilitate generic model calculations. CemoS is implemented in a modular structure using object-oriented programming.

  18. Programming Chemical Reaction Networks Using Intramolecular Conformational Motions of DNA.

    PubMed

    Lai, Wei; Ren, Lei; Tang, Qian; Qu, Xiangmeng; Li, Jiang; Wang, Lihua; Li, Li; Fan, Chunhai; Pei, Hao

    2018-06-22

    The programmable regulation of chemical reaction networks (CRNs) represents a major challenge toward the development of complex molecular devices performing sophisticated motions and functions. Nevertheless, regulation of artificial CRNs is generally energy- and time-intensive as compared to natural regulation. Inspired by allosteric regulation in biological CRNs, we herein develop an intramolecular conformational motion strategy (InCMS) for programmable regulation of DNA CRNs. We design a DNA switch as the regulatory element to program the distance between the toehold and branch migration domain. The presence of multiple conformational transitions leads to wide-range kinetic regulation spanning over 4 orders of magnitude. Furthermore, the process of energy-cost-free strand exchange accompanied by conformational change discriminates single base mismatches. Our strategy thus provides a simple yet effective approach for dynamic programming of complex CRNs.

  19. Chemical Stockpile Disposal Program. Monitoring Concept Plan

    DTIC Science & Technology

    1987-09-10

    Government Owned Contractor Operated GPL General Population Limit H Bis (2-chloroethyl) sulfide or Levinstein Mustard (75% purity) P HCI Hydrogen Chloride... government agencies, will provide technical expertise and equipment necessary to monitor affected areas and resources. 2-25 SECTIO 3 PROCESS CONTROL AND...conditions and to issue correct emergency response notifications, if required. The process sensors work in conjunction with the process control system and

  20. Chemically Initiated Electron-Exchange Luminescence.

    DTIC Science & Technology

    1980-11-14

    CONTROLLING OFFICE NAME AND ADDRESS IQ. REPORT DATE Chemistry Program, raterials Science Division, November 14, 1980 Office of Naval Research, 800 N. Quincy...A./IHorn Prepared for Publication in9 z Chemi- and Bio-Energized Processes School of Chemical Sciences University of Illinois Urbana, Illinois 61801...National Science Foundation and in part by the Office of Naval Research. GBS is a Fellow of the Alfred P. Sloan Foundation (1977-79) and The Dreyfus

  1. Sensitivity of ab Initio vs Empirical Methods in Computing Structural Effects on NMR Chemical Shifts for the Example of Peptides.

    PubMed

    Sumowski, Chris Vanessa; Hanni, Matti; Schweizer, Sabine; Ochsenfeld, Christian

    2014-01-14

    The structural sensitivity of NMR chemical shifts as computed by quantum chemical methods is compared to a variety of empirical approaches for the example of a prototypical peptide, the 38-residue kaliotoxin KTX comprising 573 atoms. Despite the simplicity of empirical chemical shift prediction programs, the agreement with experimental results is rather good, underlining their usefulness. However, we show in our present work that they are highly insensitive to structural changes, which renders their use for validating predicted structures questionable. In contrast, quantum chemical methods show the expected high sensitivity to structural and electronic changes. This appears to be independent of the quantum chemical approach or the inclusion of solvent effects. For the latter, explicit solvent simulations with increasing number of snapshots were performed for two conformers of an eight amino acid sequence. In conclusion, the empirical approaches neither provide the expected magnitude nor the patterns of NMR chemical shifts determined by the clearly more costly ab initio methods upon structural changes. This restricts the use of empirical prediction programs in studies where peptide and protein structures are utilized for the NMR chemical shift evaluation such as in NMR refinement processes, structural model verifications, or calculations of NMR nuclear spin relaxation rates.

  2. Theoretical research program to study chemical reactions in AOTV bow shock tubes

    NASA Technical Reports Server (NTRS)

    Taylor, Peter R.

    1993-01-01

    The main focus was the development, implementation, and calibration of methods for performing molecular electronic structure calculations to high accuracy. These various methods were then applied to a number of chemical reactions and species of interest to NASA, notably in the area of combustion chemistry. Among the development work undertaken was a collaborative effort to develop a program to efficiently predict molecular structures and vibrational frequencies using energy derivatives. Another major development effort involved the design of new atomic basis sets for use in chemical studies: these sets were considerably more accurate than those previously in use. Much effort was also devoted to calibrating methods for computing accurate molecular wave functions, including the first reliable calibrations for realistic molecules using full CI results. A wide variety of application calculations were undertaken. One area of interest was the spectroscopy and thermochemistry of small molecules, including establishing small molecule binding energies to an accuracy rivaling, or even on occasion surpassing, the experiment. Such binding energies are essential input to modeling chemical reaction processes, such as combustion. Studies of large molecules and processes important in both hydrogen and hydrocarbon combustion chemistry were also carried out. Finally, some effort was devoted to the structure and spectroscopy of small metal clusters, with applications to materials science problems.

  3. Using stable isotopes to monitor forms of sulfur during desulfurization processes: A quick screening method

    USGS Publications Warehouse

    Liu, Chao-Li; Hackley, Keith C.; Coleman, D.D.; Kruse, C.W.

    1987-01-01

    A method using stable isotope ratio analysis to monitor the reactivity of sulfur forms in coal during thermal and chemical desulfurization processes has been developed at the Illinois State Geological Survey. The method is based upon the fact that a significant difference exists in some coals between the 34S/32S ratios of the pyritic and organic sulfur. A screening method for determining the suitability of coal samples for use in isotope ratio analysis is described. Making these special coals available from coal sample programs would assist research groups in sorting out the complex sulfur chemistry which accompanies thermal and chemical processing of high sulfur coals. ?? 1987.

  4. P80 SRM low torque flex-seal development - thermal and chemical modeling of molding process

    NASA Astrophysics Data System (ADS)

    Descamps, C.; Gautronneau, E.; Rousseau, G.; Daurat, M.

    2009-09-01

    The development of the flex-seal component of the P80 nozzle gave the opportunity to set up new design and manufacturing process methods. Due to the short development lead time required by VEGA program, the usual manufacturing iterative tests work flow, which is usually time consuming, had to be enhanced in order to use a more predictive approach. A newly refined rubber vulcanization description was built up and identified on laboratory samples. This chemical model was implemented in a thermal analysis code. The complete model successfully supports the manufacturing processes. These activities were conducted with the support of ESA/CNES Research & Technologies and DGA (General Delegation for Armament).

  5. General RMP Guidance - Appendix C: Technical Assistance

    EPA Pesticide Factsheets

    Contacts for resources available to facilities in complying with 40 CFR part 68 (risk management program) include Office of Emergency Prevention Preparedness and Response, EPCRA/Superfund/RCRA/CAA Call Center, and the Center for Chemical Process Safety.

  6. Edgewood Chemical Biological Center In-House Laboratory Independent Research Program Annual Report FY11

    DTIC Science & Technology

    2011-01-01

    flow rates which were held constant from trial to trial by critical orifices, were checked with several different calibrated mass flow meters. None of...processes or products in mind”. ECBC views the ILIR program as a critical part of its efforts to ensure a high level of basic science, foster innovation in...missions. The ILIR program solicits innovative proposals from the Center’s principal investigators (PI) that correspond to ECBC’s critical core

  7. The Controlled Ecological Life Support Systems (CELSS) research program

    NASA Technical Reports Server (NTRS)

    Macelroy, Robert D.

    1990-01-01

    The goal of the Controlled Ecological Life Support Systems (CELSS) program is to develop systems composed of biological, chemical and physical components for purposes of human life support in space. The research activities supported by the program are diverse, but are focused on the growth of higher plants, food and waste processing, and systems control. Current concepts associated with the development and operation of a bioregenerative life support system will be discussed in this paper.

  8. Examples of successful pollution prevention programs

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Natan, T.E. Jr.

    1995-09-01

    Motivation for implementing a pollution prevention program can come from many sources: federal, state, or local mandates; community involvement; cost analyses; or companies` own desires for superior environmental management. However, the decision to apply pollution prevention techniques is often part of a larger process of reducing environmental releases and transfers of toxic chemicals. When corporations are given the opportunity to choose pollution prevention as a part of total environmental management, the result can be an extremely successful program. The US Environmental Protection Agency`s (EPA`s) 33/50 program, begun in 1991, provides an example of a diverse population of companies in variousmore » industries creating pollution prevention opportunities in response to an invitation to reduce their environmental releases and transfers of 17 priority chemicals 33% by 1992 and 50% by 1995, using 1988 Toxic Release Inventory (TRI) data as a baseline. This chapter profiles three companies participating in the 33/50 Program that have provided details of interesting and successful pollution prevention programs resulting in varying degrees of reduction of environmental releases and transfers. The companies, Grumman Corporation of Bethpage, New York; Panel Processing of Alpena, Michigan; and Avondale Industries of New Orleans, Louisiana, were chosen for the range of industries represented: manufacture of transportation equipment, coating and lamination of wood products, and shipbuilding. Examples of other interesting pollution prevention plans will also be discussed.« less

  9. Characterizing Shipyard Welding Emissions and Associated Control Options (The National Shipbuilding Research Program)

    DTIC Science & Technology

    1995-08-01

    TRl) Occupational Health and Safety Administration (OSHA) Air Quality Legislation Hexavalent Chromium and the Legislation List-of-list Chemicals and...2.2.7 2.2.8 Shielded Metal Arc Welding (SMAW) Submerged Arc Welding (SAW) Gas Metal Arc Welding (GMAW) Gas Tungsten Arc Welding ( GTAW ) Flux Core Arc... GTAW Welding Processes Advantages and Disadvantages of FCAW Welding Processes Welding Process Comparison Matrix Diagram of SMAW Welding Process

  10. REVIEW OF ALTERNATIVE ENHANCED CHEMICAL CLEANING OPTIONS FOR SRS WASTE TANKS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hay, M.; Koopman, D.

    2009-08-01

    A literature review was conducted to support the Task Technical and Quality Assurance Plan for Alternative Enhanced Chemical Cleaning (AECC) for sludge heel removal funded as part of the EM-21 Engineering and Technology program. The goal was to identify potential technologies or enhancements to the baseline oxalic acid cleaning process for chemically dissolving or mobilizing Savannah River Site (SRS) sludge heels. The issues with the potentially large volume of oxalate solids generated from the baseline process have driven an effort to find an improved or enhanced chemical cleaning technology for the tank heels. This literature review builds on a previousmore » review conducted in 2003. A team was charged with evaluating the information in these reviews and developing recommendations of alternative technologies to pursue. The new information in this report supports the conclusion of the previous review that oxalic acid remains the chemical cleaning agent of choice for dissolving the metal oxides and hydroxides found in sludge heels in carbon steel tanks. The potential negative impact of large volumes of sodium oxalate on downstream processes indicates that the amount of oxalic acid used for chemical cleaning needs to be minimized as much as possible or the oxalic acid must be destroyed prior to pH adjustment in the receipt tank. The most straightforward way of minimizing the volume of oxalic acid needed for chemical cleaning is through more effective mechanical cleaning. Using a mineral acid to adjust the pH of the sludge prior to adding oxalic acid may also help to minimize the volume of oxalic acid used in chemical cleaning. If minimization of oxalic acid proves insufficient in reducing the volume of oxalate salts, several methods were found that could be used for oxalic acid destruction. For some waste tank heels, another acid or even caustic treatment (or pretreatment) might be more appropriate than the baseline oxalic acid cleaning process. Caustic treatment of high aluminum sludge heels may be appropriate as a means of reducing oxalic acid usage. Reagents other than oxalic acid may also be needed for removing actinide elements from the tank heels. A systems engineering evaluation (SEE) was performed on the various alternative chemical cleaning reagents and organic oxidation technologies discussed in the literature review. The objective of the evaluation was to develop a short list of chemical cleaning reagents and oxalic acid destruction methods that should be the focus of further research and development. The results of the SEE found that eight of the thirteen organic oxidation technologies scored relatively close together. Six of the chemical cleaning reagents were also recommended for further investigation. Based on the results of the SEE and plan set out in the TTQAP the following broad areas are recommended for future study as part of the AECC task: (1) Basic Chemistry of Sludge Dissolution in Oxalic Acid: A better understanding of the variables effecting dissolution of sludge species is needed to efficiently remove sludge heels while minimizing the use of oxalic acid or other chemical reagents. Tests should investigate the effects of pH, acid concentration, phase ratios, temperature, and kinetics of the dissolution reactions of sludge components with oxalic acid, mineral acids, and combinations of oxalic/mineral acids. Real waste sludge samples should be characterized to obtain additional data on the mineral phases present in sludge heels. (2) Simulant Development Program: Current sludge simulants developed by other programs for use in waste processing tests, while compositionally similar to real sludge waste, generally have more hydrated forms of the major metal phases and dissolve more easily in acids. Better simulants containing the mineral phases identified by real waste characterization should be developed to test chemical cleaning methods. (3) Oxalic Acid Oxidation Technologies: The two Mn based oxidation methods that scored highly in the SEE should be studied to evaluate long term potential. One of the AOP's (UV/O{sub 3}/Solids Separator) is currently being implemented by the SRS liquid waste organization for use in tank heel chemical cleaning. (4) Corrosion Issues: A program will be needed to address potential corrosion issues from the use of low molarity mineral acids and mixtures of oxalic/mineral acids in the waste tanks for short durations. The addition of corrosion inhibitors to the acids to reduce corrosion rates should be investigated.« less

  11. The Toxicity Data Landscape for Environmental Chemicals

    PubMed Central

    Judson, Richard; Richard, Ann; Dix, David J.; Houck, Keith; Martin, Matthew; Kavlock, Robert; Dellarco, Vicki; Henry, Tala; Holderman, Todd; Sayre, Philip; Tan, Shirlee; Carpenter, Thomas; Smith, Edwin

    2009-01-01

    Objective Thousands of chemicals are in common use, but only a portion of them have undergone significant toxicologic evaluation, leading to the need to prioritize the remainder for targeted testing. To address this issue, the U.S. Environmental Protection Agency (EPA) and other organizations are developing chemical screening and prioritization programs. As part of these efforts, it is important to catalog, from widely dispersed sources, the toxicology information that is available. The main objective of this analysis is to define a list of environmental chemicals that are candidates for the U.S. EPA screening and prioritization process, and to catalog the available toxicology information. Data sources We are developing ACToR (Aggregated Computational Toxicology Resource), which combines information for hundreds of thousands of chemicals from > 200 public sources, including the U.S. EPA, National Institutes of Health, Food and Drug Administration, corresponding agencies in Canada, Europe, and Japan, and academic sources. Data extraction ACToR contains chemical structure information; physical–chemical properties; in vitro assay data; tabular in vivo data; summary toxicology calls (e.g., a statement that a chemical is considered to be a human carcinogen); and links to online toxicology summaries. Here, we use data from ACToR to assess the toxicity data landscape for environmental chemicals. Data synthesis We show results for a set of 9,912 environmental chemicals being considered for analysis as part of the U.S. EPA ToxCast screening and prioritization program. These include high-and medium-production-volume chemicals, pesticide active and inert ingredients, and drinking water contaminants. Conclusions Approximately two-thirds of these chemicals have at least limited toxicity summaries available. About one-quarter have been assessed in at least one highly curated toxicology evaluation database such as the U.S. EPA Toxicology Reference Database, U.S. EPA Integrated Risk Information System, and the National Toxicology Program. PMID:19479008

  12. Analysis of medium-BTU gasification condensates, June 1985-June 1986

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Elliott, D.C.

    1987-05-01

    This report provides the final results of chemical and physical analysis of condensates from biomass gasification systems which are part of the US Department of Energy Biomass Thermochemical Conversion Program. The work described in detail in this report involves extensive analysis of condensates from four medium-BTU gasifiers. The analyses include elemental analysis, ash, moisture, heating value, density, specific chemical analysis, ash, moisture, heating value, density, specific chemical analysis (gas chromatography/mass spectrometry, infrared spectrophotometry, Carbon-13 nuclear magnetic resonance spectrometry) and Ames Assay. This work was an extension of a broader study earlier completed of the condensates of all the gasifers andmore » pyrolyzers in the Biomass Thermochemical Conversion Program. The analytical data demonstrates the wide range of chemical composition of the organics recoverd in the condensates and suggests a direct relationship between operating temperature and chemical composition of the condensates. A continuous pathway of thermal degradation of the tar components as a function of temperature is proposed. Variations in the chemical composition of the organic in the tars are reflected in the physical properties of tars and phase stability in relation to water in the condensate. The biological activity appears to be limited to the tars produced at high temperatures as a result of formation of polycyclic aromatic hydrocarbons in high concentrations. Future studies of the time/temperature relationship to tar composition and the effect of processing atmosphere should be undertaken. Further processing of the condensates either as wastewater treatment or upgrading of the organics to useful products is also recommended. 15 refs., 4 figs., 4 tabs.« less

  13. RMP Guidance for Chemical Distributors - Table of Contents

    EPA Pesticide Factsheets

    Risk Management Program guidance helps owners and operators of stationary sources to determine if their processes are subject to regulation under section 112(r) of the Clean Air Act and 40 CFR part 68 and to comply with regulations.

  14. 40 CFR 68.1 - Scope.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) CHEMICAL ACCIDENT PREVENTION... petition process for adding or deleting substances to the list of regulated substances, the requirements..., threshold quantities, and accident prevention regulations promulgated under this part do not limit in any...

  15. Marine Sciences in CMEA Countries: Programme and Results of Co-operation. Unesco Reports in Marine Science No. 38.

    ERIC Educational Resources Information Center

    Aksionov, A. A.

    In 1971, the 25th Session of the Council for Mutual Economic Assistance (CMEA) adopted a Programme for the Development of Socialist Economic Integration. Later, part of this program became a program of cooperation in the field of oceanography, particularly the chemical, physical, and biological processes of certain important areas of the ocean. To…

  16. Joint Service Chemical and Biological Defense Program: FY 06-07 Overview

    DTIC Science & Technology

    2006-01-01

    Performers Molecular model of human plasma-derived butyryl Electronmicrograph of bacillus spores adhering to cell membrane processes 38866_BATT_TX 11...agents, and radioactive fallout. CPS is integrated with the ship’s Heating, Ventilation, and Air-Conditioning ( HVAC ) systems and provides filtered air...molecules for intervention against protein NTA. • Identify and evaluate effectiveness of spore germination inhibitors. • Expand drug discovery program

  17. On-line process control monitoring system

    DOEpatents

    O'Rourke, Patrick E.; Van Hare, David R.; Prather, William S.

    1992-01-01

    An on-line, fiber-optic based apparatus for monitoring the concentration of a chemical substance at a plurality of locations in a chemical processing system comprises a plurality of probes, each of which is at a different location in the system, a light source, optic fibers for carrying light to and from the probes, a multiplexer for switching light from the source from one probe to the next in series, a diode array spectrophotometer for producing a spectrum from the light received from the probes, and a computer programmed to analyze the spectra so produced. The probes allow the light to pass through the chemical substance so that a portion of the light is absorbed before being returned to the multiplexer. A standard and a reference cell are included for data validation and error checking.

  18. U.S. Climate Change Technology Program: Strategic Plan

    DTIC Science & Technology

    2006-09-01

    and Long Term, provides details on the 85 technologies in the R&D portfolio. 21 (Figure 2-1) Continuing Process The United States, in partnership with...locations may be centered near or in residential locations, and work processes and products may be more commonly communicated or delivered via digital... chemical properties, along with advanced methods to simulate processes , will stem from advances in computational technology. Current Portfolio The current

  19. ISPE: A knowledge-based system for fluidization studies

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Reddy, S.

    1991-01-01

    Chemical engineers use mathematical simulators to design, model, optimize and refine various engineering plants/processes. This procedure requires the following steps: (1) preparation of an input data file according to the format required by the target simulator; (2) excecuting the simulation; and (3) analyzing the results of the simulation to determine if all specified goals'' are satisfied. If the goals are not met, the input data file must be modified and the simulation repeated. This multistep process is continued until satisfactory results are obtained. This research was undertaken to develop a knowledge based system, IPSE (Intelligent Process Simulation Environment), that canmore » enhance the productivity of chemical engineers/modelers by serving as an intelligent assistant to perform a variety tasks related to process simulation. ASPEN, a widely used simulator by the US Department of Energy (DOE) at Morgantown Energy Technology Center (METC) was selected as the target process simulator in the project. IPSE, written in the C language, was developed using a number of knowledge-based programming paradigms: object-oriented knowledge representation that uses inheritance and methods, rulebased inferencing (includes processing and propagation of probabilistic information) and data-driven programming using demons. It was implemented using the knowledge based environment LASER. The relationship of IPSE with the user, ASPEN, LASER and the C language is shown in Figure 1.« less

  20. Data management of a multilaboratory field program using distributed processing. [PRECP

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tichler, J.L.

    The PRECP program is a multilaboratory research effort conducted by the US Department of Energy as a part of the National Acid Precipitation Assessment Program (NAPAP). The primary objective of PRECP is to provide essential information for the quantitative description of chemical wet deposition as a function of air pollution loadings, geograpic location, and atmospheric processing. The program is broken into four closely interrelated sectors: Diagnostic Modeling; Field Measurements; Laboratory Measurements; and Climatological Evaluation. Data management tasks are: compile databases of the data collected in field studies; verify the contents of data sets; make data available to program participants eithermore » on-line or by means of computer tapes; perform requested analyses, graphical displays, and data aggregations; provide an index of what data is available; and provide documentation for field programs both as part of the computer database and as data reports.« less

  1. Environmental setting of Maple Creek watershed, Nebraska

    USGS Publications Warehouse

    Fredrick, Brian S.; Linard, Joshua I.; Carpenter, Jennifer L.

    2006-01-01

    The Maple Creek watershed covers a 955-square-kilometer area in eastern Nebraska, which is a region dominated by agricultural land use. The Maple Creek watershed is one of seven areas currently included in a nationwide study of the sources, transport, and fate of water and chemicals in agricultural watersheds. This study, known as the topical study of 'Agricultural Chemicals: Sources, Transport, and Fate' is part of the National Water-Quality Assessment Program being conducted by the U.S. Geological Survey. The Program is designed to describe water-quality conditions and trends based on representative surface- and ground-water resources across the Nation. The objective of the Agricultural Chemicals topical study is to investigate the sources, transport, and fate of selected agricultural chemicals in a variety of agriculturally diverse environmental settings. The Maple Creek watershed was selected for the Agricultural Chemicals topical study because its watershed represents the agricultural setting that characterizes eastern Nebraska. This report describes the environmental setting of the Maple Creek watershed in the context of how agricultural practices, including agricultural chemical applications and irrigation methods, interface with natural settings and hydrologic processes. A description of the environmental setting of a subwatershed within the drainage area of Maple Creek is included to improve the understanding of the variability of hydrologic and chemical cycles at two different scales.

  2. Universal strategies for the DNA-encoding of libraries of small molecules using the chemical ligation of oligonucleotide tags

    PubMed Central

    Litovchick, Alexander; Clark, Matthew A; Keefe, Anthony D

    2014-01-01

    The affinity-mediated selection of large libraries of DNA-encoded small molecules is increasingly being used to initiate drug discovery programs. We present universal methods for the encoding of such libraries using the chemical ligation of oligonucleotides. These methods may be used to record the chemical history of individual library members during combinatorial synthesis processes. We demonstrate three different chemical ligation methods as examples of information recording processes (writing) for such libraries and two different cDNA-generation methods as examples of information retrieval processes (reading) from such libraries. The example writing methods include uncatalyzed and Cu(I)-catalyzed alkyne-azide cycloadditions and a novel photochemical thymidine-psoralen cycloaddition. The first reading method “relay primer-dependent bypass” utilizes a relay primer that hybridizes across a chemical ligation junction embedded in a fixed-sequence and is extended at its 3′-terminus prior to ligation to adjacent oligonucleotides. The second reading method “repeat-dependent bypass” utilizes chemical ligation junctions that are flanked by repeated sequences. The upstream repeat is copied prior to a rearrangement event during which the 3′-terminus of the cDNA hybridizes to the downstream repeat and polymerization continues. In principle these reading methods may be used with any ligation chemistry and offer universal strategies for the encoding (writing) and interpretation (reading) of DNA-encoded chemical libraries. PMID:25483841

  3. ExcelAutomat: a tool for systematic processing of files as applied to quantum chemical calculations

    NASA Astrophysics Data System (ADS)

    Laloo, Jalal Z. A.; Laloo, Nassirah; Rhyman, Lydia; Ramasami, Ponnadurai

    2017-07-01

    The processing of the input and output files of quantum chemical calculations often necessitates a spreadsheet as a key component of the workflow. Spreadsheet packages with a built-in programming language editor can automate the steps involved and thus provide a direct link between processing files and the spreadsheet. This helps to reduce user-interventions as well as the need to switch between different programs to carry out each step. The ExcelAutomat tool is the implementation of this method in Microsoft Excel (MS Excel) using the default Visual Basic for Application (VBA) programming language. The code in ExcelAutomat was adapted to work with the platform-independent open-source LibreOffice Calc, which also supports VBA. ExcelAutomat provides an interface through the spreadsheet to automate repetitive tasks such as merging input files, splitting, parsing and compiling data from output files, and generation of unique filenames. Selected extracted parameters can be retrieved as variables which can be included in custom codes for a tailored approach. ExcelAutomat works with Gaussian files and is adapted for use with other computational packages including the non-commercial GAMESS. ExcelAutomat is available as a downloadable MS Excel workbook or as a LibreOffice workbook.

  4. ExcelAutomat: a tool for systematic processing of files as applied to quantum chemical calculations.

    PubMed

    Laloo, Jalal Z A; Laloo, Nassirah; Rhyman, Lydia; Ramasami, Ponnadurai

    2017-07-01

    The processing of the input and output files of quantum chemical calculations often necessitates a spreadsheet as a key component of the workflow. Spreadsheet packages with a built-in programming language editor can automate the steps involved and thus provide a direct link between processing files and the spreadsheet. This helps to reduce user-interventions as well as the need to switch between different programs to carry out each step. The ExcelAutomat tool is the implementation of this method in Microsoft Excel (MS Excel) using the default Visual Basic for Application (VBA) programming language. The code in ExcelAutomat was adapted to work with the platform-independent open-source LibreOffice Calc, which also supports VBA. ExcelAutomat provides an interface through the spreadsheet to automate repetitive tasks such as merging input files, splitting, parsing and compiling data from output files, and generation of unique filenames. Selected extracted parameters can be retrieved as variables which can be included in custom codes for a tailored approach. ExcelAutomat works with Gaussian files and is adapted for use with other computational packages including the non-commercial GAMESS. ExcelAutomat is available as a downloadable MS Excel workbook or as a LibreOffice workbook.

  5. Final Technical Report for SISGR: Ultrafast Molecular Scale Chemical Imaging

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hersam, Mark C.; Guest, Jeffrey R.; Guisinger, Nathan P.

    2017-04-10

    The Northwestern-Argonne SISGR program utilized newly developed instrumentation and techniques including integrated ultra-high vacuum tip-enhanced Raman spectroscopy/scanning tunneling microscopy (UHV-TERS/STM) and surface-enhanced femtosecond stimulated Raman scattering (SE-FSRS) to advance the spatial and temporal resolution of chemical imaging for the study of photoinduced dynamics of molecules on plasmonically active surfaces. An accompanying theory program addressed modeling of charge transfer processes using constrained density functional theory (DFT) in addition to modeling of SE-FSRS, thereby providing a detailed description of the excited state dynamics. This interdisciplinary and highly collaborative research resulted in 62 publications with ~ 48% of them being co-authored by multiplemore » SISGR team members. A summary of the scientific accomplishments from this SISGR program is provided in this final technical report.« less

  6. The US EPA ToxCast Program: Moving from Data Generation ...

    EPA Pesticide Factsheets

    The U.S. EPA ToxCast program is entering its tenth year. Significant learning and progress have occurred towards collection, analysis, and interpretation of the data. The library of ~1,800 chemicals has been subject to ongoing characterization (e.g., identity, purity, stability) and is unique in its scope, structural diversity, and use scenarios making it ideally suited to investigate the underlying molecular mechanisms of toxicity. The ~700 high-throughput in vitro assay endpoints cover 327 genes and 293 pathways as well as other integrated cellular processes and responses. The integrated analysis of high-throughput screening data has shown that most environmental and industrial chemicals are very non-selective in the biological targets they perturb, while a small subset of chemicals are relatively selective for specific biological targets. The selectivity of a chemical informs interpretation of the screening results while also guiding future mode-of-action or adverse outcome pathway approaches. Coupling the high-throughput in vitro assays with medium-throughput pharmacokinetic assays and reverse dosimetry allows conversion of the potency estimates to an administered dose. Comparison of the administered dose to human exposure provides a risk-based context. The lessons learned from this effort will be presented and discussed towards application to chemical safety decision making and the future of the computational toxicology program at the U.S. EPA. SOT pr

  7. 46 CFR 16.205 - Implementation of chemical testing programs.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 1 2010-10-01 2010-10-01 false Implementation of chemical testing programs. 16.205... CHEMICAL TESTING Required Chemical Testing § 16.205 Implementation of chemical testing programs. (a) When a...) Upon written request of an employer, Commandant (CG-545) will review the employer's chemical testing...

  8. 46 CFR 16.205 - Implementation of chemical testing programs.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 1 2011-10-01 2011-10-01 false Implementation of chemical testing programs. 16.205... CHEMICAL TESTING Required Chemical Testing § 16.205 Implementation of chemical testing programs. (a) When a...) Upon written request of an employer, Commandant (CG-545) will review the employer's chemical testing...

  9. 46 CFR 16.205 - Implementation of chemical testing programs.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 1 2013-10-01 2013-10-01 false Implementation of chemical testing programs. 16.205... CHEMICAL TESTING Required Chemical Testing § 16.205 Implementation of chemical testing programs. (a) When a...) Upon written request of an employer, Commandant (CG-INV) will review the employer's chemical testing...

  10. 46 CFR 16.205 - Implementation of chemical testing programs.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 1 2014-10-01 2014-10-01 false Implementation of chemical testing programs. 16.205... CHEMICAL TESTING Required Chemical Testing § 16.205 Implementation of chemical testing programs. (a) When a...) Upon written request of an employer, Commandant (CG-INV) will review the employer's chemical testing...

  11. 46 CFR 16.205 - Implementation of chemical testing programs.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 1 2012-10-01 2012-10-01 false Implementation of chemical testing programs. 16.205... CHEMICAL TESTING Required Chemical Testing § 16.205 Implementation of chemical testing programs. (a) When a...) Upon written request of an employer, Commandant (CG-INV) will review the employer's chemical testing...

  12. The Effect of Hole Quality on the Fatigue Life of 2024-T3 Aluminum Alloy Sheet

    NASA Technical Reports Server (NTRS)

    Everett, Richard A., Jr.

    2004-01-01

    This paper presents the results of a study whose main objective was to determine which type of fabrication process would least affect the fatigue life of an open-hole structural detail. Since the open-hole detail is often the fundamental building block for determining the stress concentration of built-up structural parts, it is important to understand any factor that can affect the fatigue life of an open hole. A test program of constant-amplitude fatigue tests was conducted on five different sets of test specimens each made using a different hole fabrication process. Three of the sets used different mechanical drilling procedures while a fourth and fifth set were mechanically drilled and then chemically polished. Two sets of specimens were also tested under spectrum loading to aid in understanding the effects of residual compressive stresses on fatigue life. Three conclusions were made from this study. One, the residual compressive stresses caused by the hole-drilling process increased the fatigue life by two to three times over specimens that were chemically polished after the holes were drilled. Second, the chemical polishing process does not appear to adversely affect the fatigue life. Third, the chemical polishing process will produce a stress-state adjacent to the hole that has insignificant machining residual stresses.

  13. Transuranic solid waste management programs. Progress report, July--December 1975

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    1976-09-01

    Progress is reported for three transuranic solid waste management programs funded at the Los Alamos Scientific Laboratory (LASL) by the Energy Research and Development Administration (ERDA) Division of Fuel Cycle and Production (NFCP). Under the Transuranic Waste Research and Development Program, continued studies have shown the potential attractiveness of fiber drums as an acceptable substitute for the current mild steel storage containers. Various fire retardants have been evaluated, with one indicating significant ability to inhibit fire propagation. Continued radiolysis studies, under laboratory and field conditions, continue to reaffirm earlier LASL results indicating no significant hazard from radiolytic reactions, assuming nomore » change in current allowable loadings. Care must be exercised to differentiate between radiolytic and chemical reactions. Other efforts have identified a modification of chemical processing to reduce the amounts of plutonium requiring retrievable storage. Studies are also in progress to enhance the sensitivity of the LASL MEGAS assay system. The Transuranic-Contaminated Solid Waste Treatment Development Facility building was 72 percent complete as of December 31, 1975, which is in accord with the existing schedule. Procurement of process components is also on schedule. Certain modifications to the facility have been made, and various pre-facility experiments on waste container handling and processing have been completed. The program for the Evaluation of Transuranic-Contaminated Radioactive Waste Disposal Areas continued development of various computer modules for simulation of radionuclide transport within the biosphere. In addition, program staff contributed to an ERDA document on radioactive waste management through the preparation of a report on burial of radioactive waste at ERDA-contractor and commercial sites.« less

  14. Improvement of chemical vapor deposition process for production of large diameter carbon base monofilaments

    NASA Technical Reports Server (NTRS)

    Hough, R. L.; Richmond, R. D.

    1971-01-01

    Research was conducted to develop large diameter carbon monofilament, containing 25 to 35 mole % element boron, in the 2.0 to 10.0 mil diameter range using the chemical vapor deposition process. The objective of the program was to gain an understanding of the critical process variables and their effect on fiber properties. Synthesis equipment was modified to allow these variables to be studied. Improved control of synthesis variables permitted reduction in scatter of properties of the monofilaments. Monofilaments have been synthesized in the 3.0 to nearly 6.0 mil diameter range having measured values up to 552,000 psi for ultimate tensile strength and up to 30 million psi for elastic modulus.

  15. 40 CFR 68.90 - Applicability.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) CHEMICAL ACCIDENT PREVENTION PROVISIONS Emergency Response § 68.90 Applicability. (a) Except as provided in... processes shall comply with the requirements of § 68.95. (b) The owner or operator of stationary source...

  16. 7 CFR 91.5 - Where services are offered.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ...) Science and Technology Programs National Science Laboratory. A variety of proximate, chemical, microbiological and biomolecular tests and laboratory analyses performed on fruits and vegetables, poultry, meat and meat products, fiber products and processed foods are performed at the Science and Technology...

  17. Composite Materials: An Educational Need.

    ERIC Educational Resources Information Center

    Saliba, Tony E.; Snide, James A.

    1990-01-01

    Described is the need to incorporate the concepts and applications of advanced composite materials into existing chemical engineering programs. Discussed are the justification for, and implementation of topics including transport phenomena, kinetics and reactor design, unit operations, and product and process design. (CW)

  18. Computational prediction of chemical reactions: current status and outlook.

    PubMed

    Engkvist, Ola; Norrby, Per-Ola; Selmi, Nidhal; Lam, Yu-Hong; Peng, Zhengwei; Sherer, Edward C; Amberg, Willi; Erhard, Thomas; Smyth, Lynette A

    2018-06-01

    Over the past few decades, various computational methods have become increasingly important for discovering and developing novel drugs. Computational prediction of chemical reactions is a key part of an efficient drug discovery process. In this review, we discuss important parts of this field, with a focus on utilizing reaction data to build predictive models, the existing programs for synthesis prediction, and usage of quantum mechanics and molecular mechanics (QM/MM) to explore chemical reactions. We also outline potential future developments with an emphasis on pre-competitive collaboration opportunities. Copyright © 2018 Elsevier Ltd. All rights reserved.

  19. TOWARDS A MULTI-SCALE AGENT-BASED PROGRAMMING LANGUAGE METHODOLOGY

    PubMed Central

    Somogyi, Endre; Hagar, Amit; Glazier, James A.

    2017-01-01

    Living tissues are dynamic, heterogeneous compositions of objects, including molecules, cells and extra-cellular materials, which interact via chemical, mechanical and electrical process and reorganize via transformation, birth, death and migration processes. Current programming language have difficulty describing the dynamics of tissues because: 1: Dynamic sets of objects participate simultaneously in multiple processes, 2: Processes may be either continuous or discrete, and their activity may be conditional, 3: Objects and processes form complex, heterogeneous relationships and structures, 4: Objects and processes may be hierarchically composed, 5: Processes may create, destroy and transform objects and processes. Some modeling languages support these concepts, but most cannot translate models into executable simulations. We present a new hybrid executable modeling language paradigm, the Continuous Concurrent Object Process Methodology (CCOPM) which naturally expresses tissue models, enabling users to visually create agent-based models of tissues, and also allows computer simulation of these models. PMID:29282379

  20. TOWARDS A MULTI-SCALE AGENT-BASED PROGRAMMING LANGUAGE METHODOLOGY.

    PubMed

    Somogyi, Endre; Hagar, Amit; Glazier, James A

    2016-12-01

    Living tissues are dynamic, heterogeneous compositions of objects , including molecules, cells and extra-cellular materials, which interact via chemical, mechanical and electrical process and reorganize via transformation, birth, death and migration processes . Current programming language have difficulty describing the dynamics of tissues because: 1: Dynamic sets of objects participate simultaneously in multiple processes, 2: Processes may be either continuous or discrete, and their activity may be conditional, 3: Objects and processes form complex, heterogeneous relationships and structures, 4: Objects and processes may be hierarchically composed, 5: Processes may create, destroy and transform objects and processes. Some modeling languages support these concepts, but most cannot translate models into executable simulations. We present a new hybrid executable modeling language paradigm, the Continuous Concurrent Object Process Methodology ( CCOPM ) which naturally expresses tissue models, enabling users to visually create agent-based models of tissues, and also allows computer simulation of these models.

  1. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Fitzpatrick, Stephen W.

    This project involved a three-year program managed by BioMetics, Inc. (Waltham, MA) to demonstrate the commercial feasibility of Biofine thermochemical process technology for conversion of cellulose-containing wastes or renewable materials into levulinic acid, a versatile platform chemical. The program, commencing in October 1995, involved the design, procurement, construction and operation of a plant utilizing the Biofine process to convert 1 dry ton per day of paper sludge waste. The plant was successfully designed, constructed, and commissioned in 1997. It was operated for a period of one year on paper sludge from a variety of source paper mills to collect datamore » to verify the design for a commercial scale plant. Operational results were obtained for four different feedstock varieties. Stable, continuous operation was achieved for two of the feedstocks. Continuous operation of the plant at demonstration scale provided the opportunity for process optimization, development of operational protocols, operator training and identification of suitable materials of construction for scale up to commercial operation . Separated fiber from municipal waster was also successfully processed. The project team consisted of BioMetics Inc., Great Lakes Chemical Corporation (West Lafayette, IN), and New York State Energy Research and Development Authority (Albany, NY).« less

  2. Stress corrosion in titanium alloys and other metallic materials

    NASA Technical Reports Server (NTRS)

    Harkins, C. G. (Editor); Brotzen, F. R.; Hightower, J. W.; Mclellan, R. B.; Roberts, J. M.; Rudee, M. L.; Leith, I. R.; Basu, P. K.; Salama, K.; Parris, D. P.

    1971-01-01

    Multiple physical and chemical techniques including mass spectroscopy, atomic absorption spectroscopy, gas chromatography, electron microscopy, optical microscopy, electronic spectroscopy for chemical analysis (ESCA), infrared spectroscopy, nuclear magnetic resonance (NMR), X-ray analysis, conductivity, and isotopic labeling were used in investigating the atomic interactions between organic environments and titanium and titanium oxide surfaces. Key anhydrous environments studied included alcohols, which contain hydrogen; carbon tetrachloride, which does not contain hydrogen; and mixtures of alcohols and halocarbons. Effects of dissolved salts in alcohols were also studied. This program emphasized experiments designed to delineate the conditions necessary rather than sufficient for initiation processes and for propagation processes in Ti SCC.

  3. Application of the ToxMiner Database: Network Analysis of ...

    EPA Pesticide Factsheets

    The US EPA ToxCast program is using in vitro HTS (High-Throughput Screening) methods to profile and model bioactivity of environmental chemicals. The main goals of the ToxCast program are to generate predictive signatures of toxicity, and ultimately provide rapid and cost-effective alternatives to animal testing. The chemicals selected for Phase I are composed largely by a diverse set of pesticide active ingredients, which had sufficient supporting in vivo data included as part of their registration process with the EPA. Other miscellaneous chemicals of environmental concern were also included. Application of HTS to environmental toxicants is a novel approach to predictive toxicology and health risk assessment, and differs from what is required for drug efficacy screening in that biochemical interaction of environmental chemicals are sometimes weaker than that seen with drugs and their intended targets. Additionally, the chemical space covered by environmental chemicals is much broader compared to that of pharmaceuticals. The ToxMiner database has been created and added to the EPA’s ACToR (Aggregated Computational Toxicology Resource) chemical database. One purpose of the ToxMiner database is to link biological, metabolic and cellular pathway data to genes and in vitro assay data for the initial subset of chemicals screened in the ToxCast Phase I HTS assays. Also included in ToxMiner is human disease information, which correlates with ToxCast assays that tar

  4. Application of the ToxMiner Database: Network Analysis ...

    EPA Pesticide Factsheets

    The US EPA ToxCast program is using in vitro HTS (High-Throughput Screening) methods to profile and model bioactivity of environmental chemicals. The main goals of the ToxCast program are to generate predictive signatures of toxicity, and ultimately provide rapid and cost-effective alternatives to animal testing. The chemicals selected for Phase I are composed largely by a diverse set of pesticide active ingredients, which had sufficient supporting in vivo data included as part of their registration process with the EPA. Other miscellaneous chemicals of environmental concern were also included. Application of HTS to environmental toxicants is a novel approach to predictive toxicology and health risk assessment, and differs from what is required for drug efficacy screening in that biochemical interaction of environmental chemicals are sometimes weaker than that seen with drugs and their intended targets. Additionally, the chemical space covered by environmental chemicals is much broader compared to that of pharmaceuticals. The ToxMiner database has been created and added to the EPA’s ACToR (Aggregated Computational Toxicology Resource) chemical database. One purpose of the ToxMiner database is to link biological, metabolic, and cellular pathway data to genes and in vitro assay data for the initial subset of chemicals screened in the ToxCast Phase I HTS assays. Also included in ToxMiner is human disease information, which correlates with ToxCast assays that ta

  5. Chemical fractionation resulting from the hypervelocity impact process on metallic targets

    NASA Astrophysics Data System (ADS)

    Libourel, Guy; Ganino, Clément; Michel, Patrick; Nakamura, Akiko

    2016-10-01

    In a regime of hypervelocity impact cratering, the internal energy deposited in target + projectile region is large enough to melt and/or vaporize part of the material involved, which expands rapidly away from the impact site. Fast and energetic impact processes have therefore important chemical consequences on the projectile and target rock transformations during major impact events. Several physical and chemical processes occurred indeed in the short duration of the impact, e.g., melting, coating, mixing, condensation, crystallization, redox reactions, quenching, etc., all concurring to alter both projectile and target composition on the irreversible way.In order to document such hypervelocity impact chemical fractionation, we have started a program of impact experiments by shooting doped (27 trace elements) millimeter-sized basalt projectiles on metallic target using a two stages light gas gun. With impact velocity in the range from 0.25 to 7 km.s-1, these experiments are aimed i) to characterize chemically and texturally all the post-mortem materials (e.g., target, crater, impact melt, condensates, and ejectas), in order ii) to make a chemical mass balance budget of the process, and iii) to relate it to the kinetic energy involved in the hypervelocity impacts for scaling law purpose. Irrespective of the incident velocities, our preliminary results show the importance of redox processes, the significant changes in the ejecta composition (e.g., iron enrichment) and the systematic coating of the crater by the impact melt [1]. On the target side, characterizations of the microstructure of the shocked iron alloys to better constrain the shielding processes. We also show how these results have great implications in our understanding on the current surface properties of small bodies, and chiefly in the case of M-type asteroids. [1] Ganino C, Libourel G, Nakamura AM & Michel P (2015) Goldschmidt Abstracts, 2015 990.

  6. Fossil Energy Program

    NASA Astrophysics Data System (ADS)

    McNeese, L. E.

    1981-01-01

    Increased utilization of coal and other fossil fuel alternatives as sources of clean energy is reported. The following topics are discussed: coal conversion development, chemical research and development, materials technology, component development and process evaluation studies, technical support to major liquefaction projects, process analysis and engineering evaluations, fossil energy environmental analysis, flue gas desulfurization, solid waste disposal, coal preparation waste utilization, plant control development, atmospheric fluidized bed coal combustor for cogeneration, TVA FBC demonstration plant program technical support, PFBC systems analysis, fossil fuel applications assessments, performance assurance system support for fossil energy projects, international energy technology assessment, and general equilibrium models of liquid and gaseous fuel supplies.

  7. Computer-aided engineering of semiconductor integrated circuits

    NASA Astrophysics Data System (ADS)

    Meindl, J. D.; Dutton, R. W.; Gibbons, J. F.; Helms, C. R.; Plummer, J. D.; Tiller, W. A.; Ho, C. P.; Saraswat, K. C.; Deal, B. E.; Kamins, T. I.

    1980-07-01

    Economical procurement of small quantities of high performance custom integrated circuits for military systems is impeded by inadequate process, device and circuit models that handicap low cost computer aided design. The principal objective of this program is to formulate physical models of fabrication processes, devices and circuits to allow total computer-aided design of custom large-scale integrated circuits. The basic areas under investigation are (1) thermal oxidation, (2) ion implantation and diffusion, (3) chemical vapor deposition of silicon and refractory metal silicides, (4) device simulation and analytic measurements. This report discusses the fourth year of the program.

  8. INTEGRATION OF BIOMONITORING EXPOSURE DATA INTO THE RISK ASSESSMENT PROCESS

    EPA Science Inventory

    Improved biomonitoring techniques are being used to measure very low levels of environmental chemicals in the tissues of adults and children. Public and private demand for biomonitoring data are on the increase worldwide. In the United States alone, government-sponsored programs...

  9. Mary J. Biddy | NREL

    Science.gov Websites

    | 303-384-7904 Research Interests The economic, social, and sustainability effects of the emerging technologies and platforms Process design and economic analysis Production of premium fuels and chemicals from Programs Strategic and Market Analysis (PI) Economic and Sustainability Analysis (contributor) Biological

  10. RMP Guidance for Chemical Distributors - Chapter 1: General Applicability

    EPA Pesticide Factsheets

    The Risk Management Program rule covers you if you are: the owner/operator of a stationary source, that has more than a threshold quantity, of a regulated substance, in a process. Follow the flowchart, definitions, and Q & A's to determine applicability.

  11. VERIFICATION OF THE PERFORMANCE OF DECONTAMINATION TECHNOLOGIES IN EPA'S SAFE BUILDINGS PROGRAM

    EPA Science Inventory

    The paper describes initial progress in identifying and testing technologies applicable for decontaminating workplaces and other buildings that may be subject to chemical or biological attack. The EPA is using the process established in its Environmental Technology Verification (...

  12. 40 CFR 68.36 - Review and update.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) CHEMICAL ACCIDENT PREVENTION PROVISIONS Hazard Assessment § 68.36 Review and update. (a) The owner or operator shall... processes, quantities stored or handled, or any other aspect of the stationary source might reasonably be...

  13. 40 CFR 68.10 - Applicability.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) CHEMICAL ACCIDENT PREVENTION PROVISIONS General § 68.10 Applicability. (a) An owner or operator of a stationary source that has more than a threshold quantity of a regulated substance in a process, as determined under...

  14. 7 CFR 91.5 - Where services are offered.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ...) Science and Technology Programs National Science Laboratory. A variety of proximate for composition, chemical, physical, microbiological and biomolecular (DNA-based) tests and laboratory analyses performed on..., honey, meat and meat products, fiber products and processed foods are performed at the Science and...

  15. 7 CFR 91.5 - Where services are offered.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ...) Science and Technology Programs National Science Laboratory. A variety of proximate for composition, chemical, physical, microbiological and biomolecular (DNA-based) tests and laboratory analyses performed on..., honey, meat and meat products, fiber products and processed foods are performed at the Science and...

  16. 7 CFR 91.5 - Where services are offered.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ...) Science and Technology Programs National Science Laboratory. A variety of proximate for composition, chemical, physical, microbiological and biomolecular (DNA-based) tests and laboratory analyses performed on..., honey, meat and meat products, fiber products and processed foods are performed at the Science and...

  17. 7 CFR 91.5 - Where services are offered.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ...) Science and Technology Programs National Science Laboratory. A variety of proximate for composition, chemical, physical, microbiological and biomolecular (DNA-based) tests and laboratory analyses performed on..., honey, meat and meat products, fiber products and processed foods are performed at the Science and...

  18. 40 CFR 180.108 - Acephate; tolerances for residues.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... establishments, including food service, manufacturing and processing establishments, such as restaurants... avoid atomization or splashing of the spray. Contamination of food or food-contact surfaces shall be... PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.108...

  19. 40 CFR 180.435 - Deltamethrin; tolerances for residues.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... in food handling establishments, including food service, manufacturing and processing establishments.... Contamination of food/feed or food/feed contact surfaces shall be avoided. (B) To assure safe use of the...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances...

  20. 40 CFR 180.422 - Tralomethrin; tolerances for residues.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...-handling establishments, including food service, manufacturing, and processing establishments, such as... shall be limited to a maximum of 0.06 percent active ingredient. Contamination of food and food-contact...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances...

  1. A study of material removal during magnetorheological finishing. 1998 summer research program for high school juniors at the Univ. of Rochester`s Laboratory for Laser Energetics: Student research reports

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hubregsen, J.

    1999-03-01

    In the process of optical polishing, a new method has been developed called Magnetorheological Finishing, or MRF. This process utilizes both mechanical and chemical effects to remove material during polishing. To more fully understand the fundamental mechanisms of MR polishing the authors have successfully separated mechanical scratching from chemical softening in glass polishing with MRF by removing the water from the MR fluid. The addition of water initiates the chemical effects by hydrating the glass surface and changing the amplitude of the scratches. In addition, this study has found that the mechanical removal by scratching is related to the hardnessmore » of the magnetic carbonyl iron particles, and the hardness and type of the glass being polished.« less

  2. The U.S. experience in promoting sustainable chemistry.

    PubMed

    Tickner, Joel A; Geiser, Ken; Coffin, Melissa

    2005-01-01

    Recent developments in European chemicals policy, including the Registration, Evaluation and Authorization of Chemicals (REACH) proposal, provide a unique opportunity to examine the U.S. experience in promoting sustainable chemistry as well as the strengths and weaknesses of existing policies. Indeed, the problems of industrial chemicals and limitations in current regulatory approaches to address chemical risks are strikingly similar on both sides of the Atlantic. We provide an overview of the U.S. regulatory system for chemicals management and its relationship to efforts promoting sustainable chemistry. We examine federal and state initiatives and examine lessons learned from this system that can be applied to developing more integrated, sustainable approaches to chemicals management. There is truly no one U.S. chemicals policy, but rather a series of different un-integrated policies at the federal, regional, state and local levels. While centerpiece U.S. Chemicals Policy, the Toxic Substances Control Act of 1976, has resulted in the development of a comprehensive, efficient rapid screening process for new chemicals, agency action to manage existing chemicals has been very limited. The agency, however, has engaged in a number of successful, though highly underfunded, voluntary data collection, pollution prevention, and sustainable design programs that have been important motivators for sustainable chemistry. Policy innovation in the establishment of numerous state level initiatives on persistent and bioaccumulative toxics, chemical restrictions and toxics use reduction have resulted in pressure on the federal government to augment its efforts. It is clear that data collection on chemical risks and phase-outs of the most egregious chemicals alone will not achieve the goals of sustainable chemistry. These alone will also not internalize the cultural and institutional changes needed to ensure that design and implementation of safer chemicals, processes, and products are the focus of the future. Thus, a more holistic approach of 'carrots and sticks'--that involves not just chemical producers but those who use and purchase chemicals is necessary. Some important lessons of the US experience in chemicals management include: (1) the need for good information on chemicals flows, toxic risks, and safer substances.; (2) the need for comprehensive planning processes for chemical substitution and reduction to avoid risk trade-offs and ensure product quality; (3) the need for technical and research support to firms for innovation in safer chemistry; and (4) the need for rapid screening processes and tools for comparison of alternative chemicals, materials, and products.

  3. SERI Biomass Program

    NASA Astrophysics Data System (ADS)

    Bergeron, P. W.; Corder, R. E.; Hill, A. M.; Lindsey, H.; Lowenstein, M. Z.

    1983-02-01

    The biomass with which this report is concerned includes aquatic plants, which can be converted into liquid fuels and chemicals; organic wastes (crop residues as well as animal and municipal wastes), from which biogas can be produced via anerobic digestion; and organic or inorganic waste streams, from which hydrogen can be produced by photobiological processes. The Biomass Program Office supports research in three areas which, although distinct, all use living organisms to create the desired products. The Aquatic Species Program (ASP) supports research on organisms that are themselves processed into the final products, while the Anaerobic Digestion (ADP) and Photo/Biological Hydrogen Program (P/BHP) deals with organisms that transform waste streams into energy products. The P/BHP is also investigating systems using water as a feedstock and cell-free systems which do not utilize living organisms. This report summarizes the progress and research accomplishments of the SERI Biomass Program during FY 1982.

  4. Physico-chemical foundations underpinning microarray and next-generation sequencing experiments

    PubMed Central

    Harrison, Andrew; Binder, Hans; Buhot, Arnaud; Burden, Conrad J.; Carlon, Enrico; Gibas, Cynthia; Gamble, Lara J.; Halperin, Avraham; Hooyberghs, Jef; Kreil, David P.; Levicky, Rastislav; Noble, Peter A.; Ott, Albrecht; Pettitt, B. Montgomery; Tautz, Diethard; Pozhitkov, Alexander E.

    2013-01-01

    Hybridization of nucleic acids on solid surfaces is a key process involved in high-throughput technologies such as microarrays and, in some cases, next-generation sequencing (NGS). A physical understanding of the hybridization process helps to determine the accuracy of these technologies. The goal of a widespread research program is to develop reliable transformations between the raw signals reported by the technologies and individual molecular concentrations from an ensemble of nucleic acids. This research has inputs from many areas, from bioinformatics and biostatistics, to theoretical and experimental biochemistry and biophysics, to computer simulations. A group of leading researchers met in Ploen Germany in 2011 to discuss present knowledge and limitations of our physico-chemical understanding of high-throughput nucleic acid technologies. This meeting inspired us to write this summary, which provides an overview of the state-of-the-art approaches based on physico-chemical foundation to modeling of the nucleic acids hybridization process on solid surfaces. In addition, practical application of current knowledge is emphasized. PMID:23307556

  5. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Vogt

    This report describes a U.S. Department of Energy, (DOE) Chemical and Biological National Security Program project that sought to establish what is known about decontamination of structures, objects, and people following an exposure to chemical or biological materials. Specifically we sought to identify the procedures and protocols used to determine when and how people or buildings are considered ''clean'' following decontamination. To fulfill this objective, the study systematically examined reported decontamination experiences to determine what procedures and protocols are currently employed for decontamination, the timeframe involved to initiate and complete the decontamination process, how the contaminants were identified, the factorsmore » determining when people were (or were not) decontaminated, the problems encountered during the decontamination process, how response efforts of agencies were coordinated, and the perceived social psychological effects on people who were decontaminated or who participated in the decontamination process. Findings and recommendations from the study are intended to aid decision-making and to improve the basis for determining appropriate decontamination protocols for recovery planners and policy makers for responding to chemical and biological events.« less

  6. Dryden Flight Research Center Chemical Pharmacy Program

    NASA Technical Reports Server (NTRS)

    Davis, Bette

    1997-01-01

    The Dryden Flight Research Center (DFRC) Chemical Pharmacy "Crib" is a chemical sharing system which loans chemicals to users, rather than issuing them or having each individual organization or group purchasing the chemicals. This cooperative system of sharing chemicals eliminates multiple ownership of the same chemicals and also eliminates stockpiles. Chemical management duties are eliminated for each of the participating organizations. The chemical storage issues, hazards and responsibilities are eliminated. The system also ensures safe storage of chemicals and proper disposal practices. The purpose of this program is to reduce the total releases and transfers of toxic chemicals. The initial cost of the program to DFRC was $585,000. A savings of $69,000 per year has been estimated for the Center. This savings includes the reduced costs in purchasing, disposal and chemical inventory/storage responsibilities. DFRC has chemicals stored in 47 buildings and at 289 locations. When the program is fully implemented throughout the Center, there will be three chemical locations at this facility. The benefits of this program are the elimination of chemical management duties; elimination of the hazard associated with chemical storage; elimination of stockpiles; assurance of safe storage; assurance of proper disposal practices; assurance of a safer workplace; and more accurate emissions reports.

  7. Autobiography of Ronald W. Rousseau.

    PubMed

    Rousseau, Ronald W

    2018-03-01

    This article provides a synopsis of my professional career, from the decision to study chemical engineering to leadership of one of the top academic programs in that field. I describe how I chose to devote my research to phenomena associated with crystallization as practiced for separation and purification and then made the transition to leader of an academic program. Embedded in the coverage are descriptions of research advances coming from exploration of secondary nucleation, especially how collisions of crystals in supersaturated environments dominate the behavior of industrially relevant crystallization processes. I recount some of the challenges associated with becoming a school chair and how the program I led grew. The story illuminates the contributions of my many mentors, colleagues, and students. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering Volume 9 is June 7, 2018. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.

  8. Cleaner production in a remanufacturing process of air compressors.

    PubMed

    Esquer, Javier; Arvayo, Jose Angel; Alvarez-Chavez, Clara Rosalia; Munguia-Vega, Nora Elba; Velazquez, Luis

    2017-03-01

    This article provides relevant results of a cleaner production program conducted in a company dedicated to remanufacturing air compressors in the city of Hermosillo, Sonora, Mexico. The overall study design was based on an integration of acknowledged cleaner production and pollution prevention programs. Although this kind of program also involves environmental issues, this study focused on occupational health and safety by addressing different aspects of the work environment: ergonomic, physical (noise and lighting), and chemical. Particularly, ergonomic aspects were evaluated through the Modular Arrangement of Predetermined Time Standards (MODAPTS) method. For physical aspects, noise and lighting were addressed through Standard No. NOM-011-STPS-2001 and Standard No. NOM-025-STPS-2008 respectively. In addition, chemical aspects were analyzed through material safety data sheets and different search tools. Root causes of each risk were identified, and options to prevent, eliminate, and/or reduce each risk have been provided.

  9. Wayne Interim Storage Site environmental report for calendar year 1992, 868 Black Oak Ridge Road, Wayne, New Jersey. Formerly Utilized Sites Remedial Action Program (FUSRAP)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    1993-05-01

    This report describes the environmental surveillance program at the Wayne Interim Storage Site (WISS) and provides the results for 1992. The fenced, site, 32 km (20 mi) northwest of Newark, New Jersey, was used between 1948 and 1971 for commercial processing of monazite sand to separate natural radioisotopes - predominantly thorium. Environmental surveillance of WISS began in 1984 in accordance with Department of Energy (DOE) Order 5400.1 when Congress added the site to DOE`s Formerly Utilized Sites Remedial Action Program (FUSRAP). The environmental surveillance program at WISS includes sampling networks for radon and thoron in air; external gamma radiation exposure;more » radium-226, radium-228, thorium-230, thorium-232, total uranium, and several chemicals in surface water and sediment; and total uranium, radium-226, radium-228, thorium-230, thorium-232, and organic and inorganic chemicals in groundwater. Monitoring results are compared with applicable Environmental Protection Agency (EPA) and state standards, DOE derived concentration guides (DCGs), dose limits, and other DOE requirements. This monitoring program assists in fulfilling the DOE policy of measuring and monitoring effluents from DOE activities and calculating hypothetical doses. Results for environmental surveillance in 1992 show that the concentrations of all radioactive and most chemical contaminants were below applicable standards.« less

  10. CRRES combined radiation and release effects satellite program

    NASA Technical Reports Server (NTRS)

    Giles, B. L. (Compiler); Mccook, M. A. (Compiler); Mccook, M. W. (Compiler); Miller, G. P. (Compiler)

    1995-01-01

    The various regions of the magnetosphere-ionosphere system are coupled by flows of charged particle beams and electromagnetic waves. This coupling gives rise to processes that affect both technical and non-technical aspects of life on Earth. The CRRES Program sponsored experiments which were designed to produce controlled and known input to the space environment and the effects were measured with arrays of diagnostic instruments. Large amounts of material were used to modify and perturb the environment in a controlled manner, and response to this was studied. The CRRES and PEGSAT satellites were dual-mission spacecraft with a NASA mission to perform active chemical-release experiments, grouped into categories of tracer, modification, and simulation experiments. Two sounding rocket chemical release campaigns completed the study.

  11. RMP Guidance for Chemical Distributors - Chapter 2: Applicability of Program Levels

    EPA Pesticide Factsheets

    Identify the necessary actions for compliance once it is decided that one or more processes are subject to OSHA PSM or prevention regulation. Requirements differ based on the potential for public impacts and the level of effort needed to prevent accidents.

  12. Notification: Evaluation of EPA’s Federal Insecticide, Fungicide, and Rodenticide Act Section 18 Emergency Exemptions

    EPA Pesticide Factsheets

    Project #OPE-FY17-0024, August 21, 2017. The EPA OIG plans to begin preliminary research on the emergency exemption process used by the EPA’s Office of Chemical Safety and Pollution Prevention’s Office of Pesticide Programs.

  13. ECUT: Energy Conversion and Utilization Technologies program. Chemical Processes project report, FY 1982

    NASA Technical Reports Server (NTRS)

    Wilcox, R. E. (Compiler)

    1983-01-01

    Planned research efforts and reorganization of the Project as the Biocatalysis Research Activity are described, including the following topics: electrocatalysts, fluid extraction, ammonia synthesis, biocatalysis, membrane fouling, energy and economic analysis, decarboxylation, microscopic reaction models, plasmid monitoring, and reaction kinetics.

  14. Development of Improved Chemicals and Plastics from Oilseeds

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Nugent, Patricia A.; Lysenko, Zenon

    2006-11-09

    The overall objective of this program was to develop technology that can be applied to the production of various chemicals and plastics from seed oils. This research and development program included activities in all four key barrier areas identified in the US DOE Technology Roadmap for Plant/Crop-Based Renewable Resources, namely Plant Science, Production, Processing, and Utilization. Participants in the project included The Dow Chemical Company, Castor Oil, Inc., and the USDA Western Regional Research Center (WRRC). The objective of this production task was to evaluate and develop metathesis catalyst technology as a means of utilizing seed oils as feedstocks formore » the chemical industry. Specifically, ethenolysis of fatty acid methyl esters, FAME’s, leads to functionalized derivatives. These serve as valuable starting points for materials which cascade into a variety of applications, many of which have a current market presence. The relatively recent discovery and commercial availability of a family of metathesis catalysts which are tolerant of polar functional groups and the acquisition and implementation of high throughput synthesis and screening infrastructure led to a prime opportunity to investigate this project area.« less

  15. Implementation of the US EPA (United States Environmental Protection Agency) Regional Oxidant Modeling System

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Novak, J.H.

    1984-05-01

    Model design, implementation and quality assurance procedures can have a significant impact on the effectiveness of long term utility of any modeling approach. The Regional Oxidant Modeling System (ROMS) is exceptionally complex because it treats all chemical and physical processes thought to affect ozone concentration on a regional scale. Thus, to effectively illustrate useful design and implementation techniques, this paper describes the general modeling framework which forms the basis of the ROMS. This framework is flexible enough to allow straightforward update or replacement of the chemical kinetics mechanism and/or any theoretical formulations of the physical processes. Use of the Jacksonmore » Structured Programming (JSP) method to implement this modeling framework has not only increased programmer productivity and quality of the resulting programs, but also has provided standardized program design, dynamic documentation, and easily maintainable and transportable code. A summary of the JSP method is presented to encourage modelers to pursue this technique in their own model development efforts. In addition, since data preparation is such an integral part of a successful modeling system, the ROMS processor network is described with emphasis on the internal quality control techniques.« less

  16. USU Center of Excellence in Theory and Analysis of the Geo-Plasma Environment

    DTIC Science & Technology

    1992-05-25

    AFM CN AOR9002 B. ADORE=S ICRYi. Stei md ZIP Codej 10. SOURCE OF FUNOING NOS. BuildPng 410 PROGRAM PROJECT TASK WORK UNIT.- Buling 410D..203 ELEMENT ...OTH radars, communications, and orbiting space structures. The overall goal of the research is to obtain a better understanding of the basic chemical...and orbiting space structures. The overall goal of the research is to obtain a better understanding of the basic chemical and physical processes

  17. AFOSR (Air Force Office of Scientific Research) Chemical & Atmospheric Sciences Program Review (27th).

    DTIC Science & Technology

    1983-06-01

    34Molecular Collision Processes in the Presence of Picosecond Laser Pulses ," H. W. Lee and T. F. George, 3. Phys. Chem., 83, 928 (1979). "High- Energy ...which is present in the hydrogen analog. Pulsed laser photolysis of ClN3 at the e~cimer wavelengths of 193 and 249 nm produced the photofragment, NCI...Department of Chemical AFOSR-82-0302 Engineering Princeton University Princeton, NJ 08544 Picosecond Laser Studies of Richard R. Cavanagh Energy Transfer in

  18. Proceedings of the Army Numerical Analysis Conference (11th) Held at Frankford Arsenal, Philadelphia, Pa., on 13-14 February 1974

    DTIC Science & Technology

    1974-12-01

    incineration of chemical agent mustard and pesticides are presented. 1. EDGEWOOD ARSENAL INCINERATION PROGRAM The name of the program which we...only 5 elements to a compound read. -This was fine for mustard, but had to be altered when we wished to simulate the incineration of a nerve agent VX...input data to this program. A process flow sheet of the scrubber system is shown in Figure 1. The incinerator burns Mustard Agent . The off gas from

  19. Fourth National Aeronautics and Space Administration Weather and Climate Program Science Review

    NASA Technical Reports Server (NTRS)

    Kreins, E. R. (Editor)

    1979-01-01

    The NASA Weather and Climate Program has two major thrusts. The first involves the development of experimental and prototype operational satellite systems, sensors, and space facilities for monitoring and understanding the atmosphere. The second thrust involves basic scientific investigation aimed at studying the physical and chemical processes which control weather and climate. This fourth science review concentrated on the scientific research rather than the hardware development aspect of the program. These proceedings contain 65 papers covering the three general areas: severe storms and local weather research, global weather, and climate.

  20. Process modeling for carbon-phenolic nozzle materials

    NASA Technical Reports Server (NTRS)

    Letson, Mischell A.; Bunker, Robert C.; Remus, Walter M., III; Clinton, R. G.

    1989-01-01

    A thermochemical model based on the SINDA heat transfer program is developed for carbon-phenolic nozzle material processes. The model can be used to optimize cure cycles and to predict material properties based on the types of materials and the process by which these materials are used to make nozzle components. Chemical kinetic constants for Fiberite MX4926 were determined so that optimization of cure cycles for the current Space Shuttle Solid Rocket Motor nozzle rings can be determined.

  1. ISPE: A knowledge-based system for fluidization studies. 1990 Annual report

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Reddy, S.

    1991-01-01

    Chemical engineers use mathematical simulators to design, model, optimize and refine various engineering plants/processes. This procedure requires the following steps: (1) preparation of an input data file according to the format required by the target simulator; (2) excecuting the simulation; and (3) analyzing the results of the simulation to determine if all ``specified goals`` are satisfied. If the goals are not met, the input data file must be modified and the simulation repeated. This multistep process is continued until satisfactory results are obtained. This research was undertaken to develop a knowledge based system, IPSE (Intelligent Process Simulation Environment), that canmore » enhance the productivity of chemical engineers/modelers by serving as an intelligent assistant to perform a variety tasks related to process simulation. ASPEN, a widely used simulator by the US Department of Energy (DOE) at Morgantown Energy Technology Center (METC) was selected as the target process simulator in the project. IPSE, written in the C language, was developed using a number of knowledge-based programming paradigms: object-oriented knowledge representation that uses inheritance and methods, rulebased inferencing (includes processing and propagation of probabilistic information) and data-driven programming using demons. It was implemented using the knowledge based environment LASER. The relationship of IPSE with the user, ASPEN, LASER and the C language is shown in Figure 1.« less

  2. Fossil energy program

    NASA Astrophysics Data System (ADS)

    McNeese, L. E.

    1981-12-01

    The progress made during the period from July 1 through September 30 for the Oak Ridge National Laboratory research and development projects in support of the increased utilization of coal and other fossil fuels as sources of clean energy is reported. The following topics are discussed: coal conversion development, chemical research and development, materials technology, fossil energy materials program, liquefaction projects, component development, process analysis, environmental control technology, atmospheric fluidized bed combustion, underground coal gasification, coal preparation and waste utilization.

  3. Medical electronics: A need and a challenge

    NASA Technical Reports Server (NTRS)

    Dimeoff, J.

    1973-01-01

    Space programs have led to the development of telemetry pills for diagnosis of diseases of the digestive tract, reusable X-ray image storage plates that require no chemical processing, and muscular augmentation systems for the handicapped. These examples, together with countless other examples of technological innovation that can be drawn from research and development programs supported by government funds, offer a potential opportunity to stimulate growth and to control rising costs in medical electronics.

  4. Controlling Nonpoint Pollution in Virginia’s Urbanizing Areas: An Institutional Perspective.

    DTIC Science & Technology

    1986-01-20

    programs. As John Naisbitt has stated in his book, Megatrends , "The most reliable way to anticipate the future is by understanding the present.’" Therefore...Virginia’s cit- izenry must be considered. Naisbitt, John, Megatrends , Warner Books, New York, N.Y., 1984, p. xxiii. INTRODUCTION 3...available for the above biological and chemical processes to take place. Findings of the NURP (Nationwide Urban Runoff Program) studies show that

  5. Sceening, down selection, and implementation of environmentally compliant cleaning and insulation bonding for MNASA

    NASA Astrophysics Data System (ADS)

    Keen, Jill M.; Hutchens, D. E.; Smith, G. M.; Dillard, T. W.

    1994-06-01

    MNASA, a quarter-scale space shuttle solid rocket motor, has historically been processed using environmentally and physiologically harmful chemicals. This program draws from previous testing done in support of full-scale manufacturing and examines the synergy and interdependency between environmentally acceptable materials for Solid Rocket Motor insulation applications, bonding, corrosion inhibiting, painting, priming and cleaning; and then implements new materials and processes in sub-scale motors. Tests have been conducted to eliminate or minimize hazardous chemicals used in the manufacture of MNASA components and identify alternate materials and/or processes following NASA Operational Environment Team (NOET) priorities. This presentation describes implementation of high pressure water refurbishment cleaning, aqueous precision cleaning using both Brulin 815 GD and Jettacin and insulation case bonding using ODC compliant primers and adhesives.

  6. Total chemical management in photographic processing

    USGS Publications Warehouse

    Luden, Charles; Schultz, Ronald

    1985-01-01

    The mission of the U. S. Geological Survey's Earth Resources Observation Systems (EROS) Data Center is to produce high-quality photographs of the earth taken from aircraft and Landsat satellite. In order to meet the criteria of producing research-quality photographs, while at the same time meeting strict environmental restrictions, a total photographic chemical management system was installed. This involved a three-part operation consisting of the design of a modern chemical analysis laboratory, the implementation of a chemical regeneration system, and the installation of a waste treatment system, including in-plant pretreatment and outside secondary waste treatment. Over the last ten years the result of this program has yielded high-quality photographs while saving approximately 30,000 per year and meeting all Environmental Protection Agency (EPA) restrictions.

  7. Generation rates and chemical compositions of waste streams in a typical crewed space habitat

    NASA Technical Reports Server (NTRS)

    Wydeven, Theodore; Golub, Morton A.

    1990-01-01

    A judicious compilation of generation rates and chemical compositions of potential waste feed streams in a typical crewed space habitat was made in connection with the waste-management aspect of NASA's Physical/Chemical Closed-Loop Life Support Program. Waste composition definitions are needed for the design of waste-processing technologies involved in closing major life support functions in future long-duration human space missions. Tables of data for the constituents and chemical formulas of the following waste streams are presented and discussed: human urine, feces, hygiene (laundry and shower) water, cleansing agents, trash, humidity condensate, dried sweat, and trace contaminants. Tables of data on dust generation and pH values of the different waste streams are also presented and discussed.

  8. Solid State Division progress report for period ending September 30, 1993

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Green, P.H.; Hinton, L.W.

    1994-08-01

    This report covers research progress in the Solid State Division from April 1, 1992, to September 30, 1993. During this period, the division conducted a broad, interdisciplinary materials research program with emphasis on theoretical solid state physics, neutron scattering, synthesis and characterization of materials, ion beam and laser processing, and the structure of solids and surfaces. This research effort was enhanced by new capabilities in atomic-scale materials characterization, new emphasis on the synthesis and processing of materials, and increased partnering with industry and universities. The theoretical effort included a broad range of analytical studies, as well as a new emphasismore » on numerical simulation stimulated by advances in high-performance computing and by strong interest in related division experimental programs. Superconductivity research continued to advance on a broad front from fundamental mechanisms of high-temperature superconductivity to the development of new materials and processing techniques. The Neutron Scattering Program was characterized by a strong scientific user program and growing diversity represented by new initiatives in complex fluids and residual stress. The national emphasis on materials synthesis and processing was mirrored in division research programs in thin-film processing, surface modification, and crystal growth. Research on advanced processing techniques such as laser ablation, ion implantation, and plasma processing was complemented by strong programs in the characterization of materials and surfaces including ultrahigh resolution scanning transmission electron microscopy, atomic-resolution chemical analysis, synchrotron x-ray research, and scanning tunneling microscopy.« less

  9. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bakel, Allen J.; Conner, Cliff; Quigley, Kevin

    One of the missions of the Reduced Enrichment for Research and Test Reactors (RERTR) program (and now the National Nuclear Security Administrations Material Management and Minimization program) is to facilitate the use of low enriched uranium (LEU) targets for 99Mo production. The conversion from highly enriched uranium (HEU) to LEU targets will require five to six times more uranium to produce an equivalent amount of 99Mo. The work discussed here addresses the technical challenges encountered in the treatment of uranyl nitrate hexahydrate (UNH)/nitric acid solutions remaining after the dissolution of LEU targets. Specifically, the focus of this work is themore » calcination of the uranium waste from 99Mo production using LEU foil targets and the Modified Cintichem Process. Work with our calciner system showed that high furnace temperature, a large vent tube, and a mechanical shield are beneficial for calciner operation. One- and two-step direct calcination processes were evaluated. The high-temperature one-step process led to contamination of the calciner system. The two-step direct calcination process operated stably and resulted in a relatively large amount of material in the calciner cup. Chemically assisted calcination using peroxide was rejected for further work due to the difficulty in handling the products. Chemically assisted calcination using formic acid was rejected due to unstable operation. Chemically assisted calcination using oxalic acid was recommended, although a better understanding of its chemistry is needed. Overall, this work showed that the two-step direct calcination and the in-cup oxalic acid processes are the best approaches for the treatment of the UNH/nitric acid waste solutions remaining from dissolution of LEU targets for 99Mo production.« less

  10. The dilemma in prioritizing chemicals for environmental analysis: known versus unknown hazards.

    PubMed

    Anna, Sobek; Sofia, Bejgarn; Christina, Rudén; Magnus, Breitholtz

    2016-08-10

    A major challenge for society is to manage the risks posed by the many chemicals continuously emitted to the environment. All chemicals in production and use cannot be monitored and science-based strategies for prioritization are essential. In this study we review available data to investigate which substances are included in environmental monitoring programs and published research studies reporting analyses of chemicals in Baltic Sea fish between 2000 and 2012. Our aim is to contribute to the discussion of priority settings in environmental chemical monitoring and research, which is closely linked to chemical management. In total, 105 different substances or substance groups were analyzed in Baltic Sea fish. Polychlorinated dibenzo-p-dioxins, polychlorinated dibenzofurans (PCDD/Fs) and polychlorinated biphenyls (PCBs) were the most studied substances or substance groups. The majority, 87%, of all analyses comprised 20% of the substances or substance groups, whereas 46 substance groups (44%) were analyzed only once. Almost three quarters of all analyses regarded a POP-substance (persistent organic pollutant). These results demonstrate that the majority of analyses on environmental contaminants in Baltic Sea fish concern a small number of already regulated chemicals. Legacy pollutants such as POPs pose a high risk to the Baltic Sea due to their hazardous properties. Yet, there may be a risk that prioritizations for chemical analyses are biased based on the knowns of the past. Such biases may lead to society failing in identifying risks posed by yet unknown hazardous chemicals. Alternative and complementary ways to identify priority chemicals are needed. More transparent communication between risk assessments performed as part of the risk assessment process within REACH and monitoring programs, and information on chemicals contained in consumer articles, would offer ways to identify chemicals for environmental analysis.

  11. Nondestructive evaluations

    NASA Astrophysics Data System (ADS)

    Kulkarni, S.

    1993-03-01

    This report discusses Nondestructive Evaluation (NDE) thrust area which supports initiatives that advance inspection science and technology. The goal of the NDE thrust area is to provide cutting-edge technologies that have promise of inspection tools three to five years in the future. In selecting projects, the thrust area anticipates the needs of existing and future Lawrence Livermore National Laboratory (LLNL) programs. NDE provides materials characterization inspections, finished parts, and complex objects to find flaws and fabrication defects and to determine their physical and chemical characteristics. NDE also encompasses process monitoring and control sensors and the monitoring of in-service damage. For concurrent engineering, NDE becomes a frontline technology and strongly impacts issues of certification and of life prediction and extension. In FY-92, in addition to supporting LLNL programs and the activities of nuclear weapons contractors, NDE has initiated several projects with government agencies and private industries to study aging infrastructures and to advance manufacturing processes. Examples of these projects are (1) the Aging Airplanes Inspection Program for the Federal Aviation Administration, (2) Signal Processing of Acoustic Signatures of Heart Valves for Shiley, Inc., and (3) Turbine Blade Inspection for the Air Force, jointly with Southwest Research Institute and Garrett. In FY-92, the primary contributions of the NDE thrust area, described in this report, were in fieldable chemical sensor systems, computed tomography, and laser generation and detection of ultrasonic energy.

  12. Sources for Leads: Natural Products and Libraries.

    PubMed

    van Herwerden, Eric F; Süssmuth, Roderich D

    2016-01-01

    Natural products have traditionally been a major source of leads in the drug discovery process. However, the development of high-throughput screening led to an increased interest in synthetic methods that enabled the rapid construction of large libraries of molecules. This resulted in the termination or downscaling of many natural product research programs, but the chemical libraries did not necessarily produce a larger amount of drug leads. On one hand, this chapter explores the current state of natural product research within the drug discovery process. On the other hand it evaluates the efforts made to increase the amount of leads generated from chemical libraries and considers what role natural products could play here.

  13. Screening for Chemical Contributions to Breast Cancer Risk: A Case Study for Chemical Safety Evaluation

    PubMed Central

    Ackerman, Janet M.; Dairkee, Shanaz H.; Fenton, Suzanne E.; Johnson, Dale; Navarro, Kathleen M.; Osborne, Gwendolyn; Rudel, Ruthann A.; Solomon, Gina M.; Zeise, Lauren; Janssen, Sarah

    2015-01-01

    Background Current approaches to chemical screening, prioritization, and assessment are being reenvisioned, driven by innovations in chemical safety testing, new chemical regulations, and demand for information on human and environmental impacts of chemicals. To conceptualize these changes through the lens of a prevalent disease, the Breast Cancer and Chemicals Policy project convened an interdisciplinary expert panel to investigate methods for identifying chemicals that may increase breast cancer risk. Methods Based on a review of current evidence, the panel identified key biological processes whose perturbation may alter breast cancer risk. We identified corresponding assays to develop the Hazard Identification Approach for Breast Carcinogens (HIA-BC), a method for detecting chemicals that may raise breast cancer risk. Finally, we conducted a literature-based pilot test of the HIA-BC. Results The HIA-BC identifies assays capable of detecting alterations to biological processes relevant to breast cancer, including cellular and molecular events, tissue changes, and factors that alter susceptibility. In the pilot test of the HIA-BC, chemicals associated with breast cancer all demonstrated genotoxic or endocrine activity, but not necessarily both. Significant data gaps persist. Conclusions This approach could inform the development of toxicity testing that targets mechanisms relevant to breast cancer, providing a basis for identifying safer chemicals. The study identified important end points not currently evaluated by federal testing programs, including altered mammary gland development, Her2 activation, progesterone receptor activity, prolactin effects, and aspects of estrogen receptor β activity. This approach could be extended to identify the biological processes and screening methods relevant for other common diseases. Citation Schwarzman MR, Ackerman JM, Dairkee SH, Fenton SE, Johnson D, Navarro KM, Osborne G, Rudel RA, Solomon GM, Zeise L, Janssen S. 2015. Screening for chemical contributions to breast cancer risk: a case study for chemical safety evaluation. Environ Health Perspect 123:1255–1264; http://dx.doi.org/10.1289/ehp.1408337 PMID:26032647

  14. Chemical Stockpile Disposal Program. Transportation of Chemical Munitions at Reduced Temperature

    DTIC Science & Technology

    1987-08-01

    ADA193346 Chemical Stockpile Disposal Program. Transportation of Chemical Munitions at Reduced Temperature. MITRE CORP MCLEAN VA AUG 1987...NO. ACCESSION NO. Aberdeen Proving Ground, fD 21010-5401 11. TITLE (Include Security Classification) Transportation of Chemical Munitions at Reducfd...Year, Month, Day) S. PAGE COUNT nal FROM TO Au USt 1987 65 16. SUPPLEMENTARY NOTATION Prepared for the Chemical Stockpile D’i sal Program Programmatic

  15. Computer programs of information processing of nuclear physical methods as a demonstration material in studying nuclear physics and numerical methods

    NASA Astrophysics Data System (ADS)

    Bateev, A. B.; Filippov, V. P.

    2017-01-01

    The principle possibility of using computer program Univem MS for Mössbauer spectra fitting as a demonstration material at studying such disciplines as atomic and nuclear physics and numerical methods by students is shown in the article. This program is associated with nuclear-physical parameters such as isomer (or chemical) shift of nuclear energy level, interaction of nuclear quadrupole moment with electric field and of magnetic moment with surrounded magnetic field. The basic processing algorithm in such programs is the Least Square Method. The deviation of values of experimental points on spectra from the value of theoretical dependence is defined on concrete examples. This value is characterized in numerical methods as mean square deviation. The shape of theoretical lines in the program is defined by Gaussian and Lorentzian distributions. The visualization of the studied material on atomic and nuclear physics can be improved by similar programs of the Mössbauer spectroscopy, X-ray Fluorescence Analyzer or X-ray diffraction analysis.

  16. Industrial waste recycling strategies optimization problem: mixed integer programming model and heuristics

    NASA Astrophysics Data System (ADS)

    Tang, Jiafu; Liu, Yang; Fung, Richard; Luo, Xinggang

    2008-12-01

    Manufacturers have a legal accountability to deal with industrial waste generated from their production processes in order to avoid pollution. Along with advances in waste recovery techniques, manufacturers may adopt various recycling strategies in dealing with industrial waste. With reuse strategies and technologies, byproducts or wastes will be returned to production processes in the iron and steel industry, and some waste can be recycled back to base material for reuse in other industries. This article focuses on a recovery strategies optimization problem for a typical class of industrial waste recycling process in order to maximize profit. There are multiple strategies for waste recycling available to generate multiple byproducts; these byproducts are then further transformed into several types of chemical products via different production patterns. A mixed integer programming model is developed to determine which recycling strategy and which production pattern should be selected with what quantity of chemical products corresponding to this strategy and pattern in order to yield maximum marginal profits. The sales profits of chemical products and the set-up costs of these strategies, patterns and operation costs of production are considered. A simulated annealing (SA) based heuristic algorithm is developed to solve the problem. Finally, an experiment is designed to verify the effectiveness and feasibility of the proposed method. By comparing a single strategy to multiple strategies in an example, it is shown that the total sales profit of chemical products can be increased by around 25% through the simultaneous use of multiple strategies. This illustrates the superiority of combinatorial multiple strategies. Furthermore, the effects of the model parameters on profit are discussed to help manufacturers organize their waste recycling network.

  17. REMOVING ORGANIC CONTAMINANTS OF REGULATORY INTEREST WITH MEMBRANE PROCESSES: USEPA'S SCREENING STUDIES

    EPA Science Inventory

    The 1996 amendments to the Safe Drinking Water Act require the US Environmental Protection Agency (USEPA) to establish a list of unregulated microbiological and chemical contaminants to aid in priority-setting for the Agency's drinking water program. This list, known as the Cont...

  18. Chlor-Alkali Industry: A Laboratory Scale Approach

    ERIC Educational Resources Information Center

    Sanchez-Sanchez, C. M.; Exposito, E.; Frias-Ferrer, A.; Gonzalez-Garaia, J.; Monthiel, V.; Aldaz, A.

    2004-01-01

    A laboratory experiment for students in the last year of degree program in chemical engineering, chemistry, or industrial chemistry is presented. It models the chlor-alkali process, one of the most important industrial applications of electrochemical technology and the second largest industrial consumer of electricity after aluminium industry.

  19. Industry and Education: A Winning Combination.

    ERIC Educational Resources Information Center

    Payne, John H.; Williams-Foster, Cathy

    1997-01-01

    Describes how the petrochemical employers of Texas City, Texas developed a fully accredited two-year associate degree program at the local community college tailored to train process operators for entry into the refining and chemical industry. Discusses planning; scholarship funds; vendor and community support; student population; outcomes of the…

  20. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    This document contains information about the research programs being conducted at the Savannah River Plant. Topics of discussion include: thermal cycling absorption process, development of new alloys, ion exchange, oxalate precipitation, calcination, environmental research, remedial action, ecological risk assessments, chemical analysis of salt cakes, natural phenomena hazards assessment, and sampling of soils and groundwater.

  1. PREDICTION OF THE VAPOR PRESSURE, BOILING POINT, HEAT OF VAPORIZATION AND DIFFUSION COEFFICIENT OF ORGANIC COMPOUNDS

    EPA Science Inventory

    The prototype computer program SPARC has been under development for several years to estimate physical properties and chemical reactivity parameters of organic compounds strictly from molecular structure. SPARC solute-solute physical process models have been developed and tested...

  2. Surface CHEMKIN (Version 4. 0): A Fortran package for analyzing heterogeneous chemical kinetics at a solid-surface---gas-phase interface

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Coltrin, M.E.; Kee, R.J.; Rupley, F.M.

    1991-07-01

    Heterogeneous reaction at the interface between a solid surface and adjacent gas is central to many chemical processes. Our purpose for developing the software package SURFACE CHEMKIN was motivated by our need to understand the complex surface chemistry in chemical vapor deposition systems involving silicon, silicon nitride, and gallium arsenide. However, we have developed the approach and implemented the software in a general setting. Thus, we expect it will find use in such diverse applications as chemical vapor deposition, chemical etching, combustion of solids, and catalytic processes, and for a wide range of chemical systems. We believe that it providesmore » a powerful capability to help model, understand, and optimize important industrial and research chemical processes. The SURFACE CHEMKIN software is designed to work in conjunction with the CHEMKIN-2 software, which handles the chemical kinetics in the gas phase. It may also be used in conjunction with the Transport Property Package, which provides information about molecular diffusion. Thus, these three packages provide a foundation on which a user can build applications software to analyze gas-phase and heterogeneous chemistry in flowing systems. These packages should not be considered programs'' in the ordinary sense. That is, they are not designed to accept input, solve a particular problem, and report the answer. Instead, they are software tools intended to help a user work efficiently with large systems of chemical reactions and develop Fortran representations of systems of equations that define a particular problem. It is up the user to solve the problem and interpret the answer. 11 refs., 15 figs., 5 tabs.« less

  3. A Survey of Doctoral Programs in Chemical Education in the United States

    NASA Astrophysics Data System (ADS)

    Mason, Diana

    2001-02-01

    Employment opportunities are expanding in chemical education and chemical education research. Consequently, more students are seeking to further their education in chemistry by obtaining tertiary degrees in chemical education. At the Fall 2000 ACS Meeting in Washington, DC, DivCHED sponsored a symposium highlighting several doctoral programs in chemical education in the U.S. Included in this summary is the following information regarding each program: name of university, faculty contact(s), corresponding email addresses and URLs, and a brief description of the program.

  4. Studying chemical reactions in biological systems with MBN Explorer: implementation of molecular mechanics with dynamical topology

    NASA Astrophysics Data System (ADS)

    Sushko, Gennady B.; Solov'yov, Ilia A.; Verkhovtsev, Alexey V.; Volkov, Sergey N.; Solov'yov, Andrey V.

    2016-01-01

    The concept of molecular mechanics force field has been widely accepted nowadays for studying various processes in biomolecular systems. In this paper, we suggest a modification for the standard CHARMM force field that permits simulations of systems with dynamically changing molecular topologies. The implementation of the modified force field was carried out in the popular program MBN Explorer, and, to support the development, we provide several illustrative case studies where dynamical topology is necessary. In particular, it is shown that the modified molecular mechanics force field can be applied for studying processes where rupture of chemical bonds plays an essential role, e.g., in irradiation- or collision-induced damage, and also in transformation and fragmentation processes involving biomolecular systems. Contribution to the Topical Issue "COST Action Nano-IBCT: Nano-scale Processes Behind Ion-Beam Cancer Therapy", edited by Andrey V. Solov'yov, Nigel Mason, Gustavo Garcia and Eugene Surdutovich.

  5. Stretching-induced nanostructures on shape memory polyurethane films and their regulation to osteoblasts morphology.

    PubMed

    Xing, Juan; Ma, Yufei; Lin, Manping; Wang, Yuanliang; Pan, Haobo; Ruan, Changshun; Luo, Yanfeng

    2016-10-01

    Programming such as stretching, compression and bending is indispensible to endow polyurethanes with shape memory effects. Despite extensive investigations on the contributions of programming processes to the shape memory effects of polyurethane, less attention has been paid to the nanostructures of shape memory polyurethanes surface during the programming process. Here we found that stretching could induce the reassembly of hard domains and thereby change the nanostructures on the film surfaces with dependence on the stretching ratios (0%, 50%, 100%, and 200%). In as-cast polyurethane films, hard segments sequentially assembled into nano-scale hard domains, round or fibrillar islands, and fibrillar apophyses. Upon stretching, the islands packed along the stretching axis to form reoriented fibrillar apophyses along the stretching direction. Stretching only changed the chemical patterns on polyurethane films without significantly altering surface roughness, with the primary composition of fibrillar apophyses being hydrophilic hard domains. Further analysis of osteoblasts morphology revealed that the focal adhesion formation and osteoblasts orientation were in accordance with the chemical patterns of the underlying stretched films, which corroborates the vital roles of stretching-induced nanostructures in regulating osteoblasts morphology. These novel findings suggest that programming might hold great potential for patterning polyurethane surfaces so as to direct cellular behavior. In addition, this work lays groundwork for guiding the programming of shape memory polyurethanes to produce appropriate nanostructures for predetermined medical applications. Copyright © 2016 Elsevier B.V. All rights reserved.

  6. Community Support Programs: Review of the Literature

    DTIC Science & Technology

    1990-09-01

    routine basis. In civilian mental health centers, anyone having a substance abuse problem is eligible for services. Treatment typically begins with...detoxification or "drying out" - being free of the abused substance . The next phase of the process is learning to live without chemicals. This process...military services, is the estimate that 97 percent of substance abusers are currently in the workforce. The disease of addiction robs employees of

  7. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Moriarty, Nigel W.; Draizen, Eli J.; Adams, Paul D.

    Chemical restraints for use in macromolecular structure refinement are produced by a variety of methods, including a number of programs that use chemical information to generate the required bond, angle, dihedral, chiral and planar restraints. These programs help to automate the process and therefore minimize the errors that could otherwise occur if it were performed manually. Furthermore, restraint-dictionary generation programs can incorporate chemical and other prior knowledge to provide reasonable choices of types and values. However, the use of restraints to define the geometry of a molecule is an approximation introduced with efficiency in mind. The representation of a bondmore » as a parabolic function is a convenience and does not reflect the true variability in even the simplest of molecules. Another complicating factor is the interplay of the molecule with other parts of the macromolecular model. Finally, difficult situations arise from molecules with rare or unusual moieties that may not have their conformational space fully explored. These factors give rise to the need for an interactive editor for WYSIWYG interactions with the restraints and molecule. Restraints Editor, Especially Ligands (REEL) is a graphical user interface for simple and error-free editing along with additional features to provide greater control of the restraint dictionaries in macromolecular refinement.« less

  8. Student Internship Program Report

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    CASSIDY,TIMOTHY A.

    2000-08-04

    This is the author's third summer working at Sandia National Laboratories in organization 5712. He is a physics major at Reed College in Portland, Oregon. His work at Sandia began during his senior year at Eldorado High School, when he worked part time and received school credit for participating in the internship program. During that time and two ensuing summers he worked on a variety of projects. These experiences included testing a number of optical-electronic systems, performing such tasks as determining the spectral responsivity of photodiodes and placing optical/electronic systems in front of a variety of light-sources in order tomore » generate calibration curves. He also contributed to the computer generation of data to model a hypothetical satellite-mounted detection system using SSGM (Synthetic Scene Generation Model) and the Khoros visual programming software Cantata on a UNIX operating system. Other experiences included pre-flight satellite testing, and work in the field deploying a suite of sensors and data collection equipment in Nevada. This summer he is involved in image analysis using the software development tools of the Khoros programming environment. He is working on a project whose goal is to identify superimposed spectra obtained from remote-sensing equipment. The spectra to be identified are those of chemical warfare agents and precursor chemicals from the industrial processes used to manufacture them. Identifying these spectra is a challenge when they are mixed with each other and with incident light from the ground and atmosphere--photons that are both reflected from the sun and emitted as blackbody radiation. In order to model this process, he is working on a Khoros program that will add noise to laboratory-obtained spectra from a variety of chemicals. This altered data will mimic what a remote sensing device is likely to record in the field. Given this example of likely field results, developing an ideal sensor and a method to identify spectra from such data will continue for a number of years.« less

  9. Theoretical and experimental studies of atmospheric structure and dynamics, using high altitude chemical release, Radio meteor, and meteorological rocket network and other data

    NASA Technical Reports Server (NTRS)

    Edwards, H. D.

    1976-01-01

    Data collected by the Georgia Tech Radio Meteor Wind Facility during the fall and winter of 1975 are analyzed indicating a relationship between lower thermospheric circulation at mid latitudes and polar stratospheric dynamics. Techniques of measurement of mixing processes in the upper atmosphere and the interpretation of those measurements are described along with a diffusion simulation program based on the Global Reference Atmosphere program.

  10. Modelling and analysis of the sugar cataract development process using stochastic hybrid systems.

    PubMed

    Riley, D; Koutsoukos, X; Riley, K

    2009-05-01

    Modelling and analysis of biochemical systems such as sugar cataract development (SCD) are critical because they can provide new insights into systems, which cannot be easily tested with experiments; however, they are challenging problems due to the highly coupled chemical reactions that are involved. The authors present a stochastic hybrid system (SHS) framework for modelling biochemical systems and demonstrate the approach for the SCD process. A novel feature of the framework is that it allows modelling the effect of drug treatment on the system dynamics. The authors validate the three sugar cataract models by comparing trajectories computed by two simulation algorithms. Further, the authors present a probabilistic verification method for computing the probability of sugar cataract formation for different chemical concentrations using safety and reachability analysis methods for SHSs. The verification method employs dynamic programming based on a discretisation of the state space and therefore suffers from the curse of dimensionality. To analyse the SCD process, a parallel dynamic programming implementation that can handle large, realistic systems was developed. Although scalability is a limiting factor, this work demonstrates that the proposed method is feasible for realistic biochemical systems.

  11. Analysis and evaluation in the production process and equipment area of the low-cost solar array project

    NASA Technical Reports Server (NTRS)

    Wolf, M.

    1981-01-01

    The effect of solar cell metallization pattern design on solar cell performance and the costs and performance effects of different metallization processes are discussed. Definitive design rules for the front metallization pattern for large area solar cells are presented. Chemical and physical deposition processes for metallization are described and compared. An economic evaluation of the 6 principal metallization options is presented. Instructions for preparing Format A cost data for solar cell manufacturing processes from UPPC forms for input into the SAMIC computer program are presented.

  12. Reducing the use of carcinogens: the Massachusetts experience.

    PubMed

    Jacobs, Molly M; Massey, Rachel I; Tenney, Heather; Harriman, Elizabeth

    2014-01-01

    Toxics use reduction (TUR) is one part of a comprehensive cancer prevention strategy. TUR emphasizes reducing the use of cancer-causing chemicals by improving manufacturing processes and identifying and adopting safer alternatives. This analysis draws on 20 years of data collected from industries reporting to the Massachusetts Toxics Use Reduction Act (TURA) program to assess trends in the use and release of chemicals associated with cancer. We used a master list of known and suspected carcinogens developed from authoritative sources and a list of carcinogens grouped by their association with 11 cancer sites to analyze trends in use and release of chemicals by industrial facilities reporting to the TURA program from 1990 to 2010. The trend analysis shows that reported use and releases of carcinogens by these Massachusetts companies have decreased dramatically over time. Reported use declined 32% from 1990 to 2010, and reported releases declined 93% from 1991 to 2010 (1991 is when additional industrial sectors, including electric utilities, were phased into the program). Particularly large reductions were achieved in the use of trichloroethylene, perchloroethylene and cadmium and cadmium compounds. The analysis of groups of chemicals associated with specific cancer sites shows similar trends. Important opportunities for further reductions in many carcinogens, including formaldehyde, hexavalent chromium, and a variety of halogenated compounds are identified. Continued work to minimize the use of carcinogens can help to reduce the burden of cancer in Massachusetts and elsewhere.

  13. Global transcriptome analysis of spore formation in Myxococcus xanthus reveals a locus necessary for cell differentiation

    PubMed Central

    2010-01-01

    Background Myxococcus xanthus is a Gram negative bacterium that can differentiate into metabolically quiescent, environmentally resistant spores. Little is known about the mechanisms involved in differentiation in part because sporulation is normally initiated at the culmination of a complex starvation-induced developmental program and only inside multicellular fruiting bodies. To obtain a broad overview of the sporulation process and to identify novel genes necessary for differentiation, we instead performed global transcriptome analysis of an artificial chemically-induced sporulation process in which addition of glycerol to vegetatively growing liquid cultures of M. xanthus leads to rapid and synchronized differentiation of nearly all cells into myxospore-like entities. Results Our analyses identified 1 486 genes whose expression was significantly regulated at least two-fold within four hours of chemical-induced differentiation. Most of the previously identified sporulation marker genes were significantly upregulated. In contrast, most genes that are required to build starvation-induced multicellular fruiting bodies, but which are not required for sporulation per se, were not significantly regulated in our analysis. Analysis of functional gene categories significantly over-represented in the regulated genes, suggested large rearrangements in core metabolic pathways, and in genes involved in protein synthesis and fate. We used the microarray data to identify a novel operon of eight genes that, when mutated, rendered cells unable to produce viable chemical- or starvation-induced spores. Importantly, these mutants displayed no defects in building fruiting bodies, suggesting these genes are necessary for the core sporulation process. Furthermore, during the starvation-induced developmental program, these genes were expressed in fruiting bodies but not in peripheral rods, a subpopulation of developing cells which do not sporulate. Conclusions These results suggest that microarray analysis of chemical-induced spore formation is an excellent system to specifically identify genes necessary for the core sporulation process of a Gram negative model organism for differentiation. PMID:20420673

  14. Improving Latino Youths' Environmental Health Literacy and Leadership Skills Through Participatory Research on Chemical Exposures in Cosmetics: The HERMOSA Study.

    PubMed

    Madrigal, Daniel S; Minkler, Meredith; Parra, Kimberly L; Mundo, Carolina; Gonzalez, Jesus Enrique Cardenas; Jimenez, Ramon; Vera, Carlos; Harley, Kim G

    2016-07-18

    To increase environmental health literacy (EHL) and leadership skills in Latino youth in Salinas, CA., we worked from 2012-2015 with 15 members of the CHAMACOS Youth Community Council (YCC), an outreach arm of a longitudinal study of impacts of environmental chemicals on children's health. The YCC program provided hands-on research experiences related to Endocrine Disrupting Chemicals (EDCs) in cosmetics and their possible health effects. We use participatory research principles and Bloom's Taxonomy of Educational Objectives to describe the development of EHC and leadership in the youth co-researchers. Using data from multiple qualitative sources, we explore the youths' engagement in a wide range of research and action processes. Promising outcomes, including perceptions of improved youth self-esteem, EHL, leadership, and career orientation are discussed, as are challenges, such as time constraints and high priority youth concerns not addressed by the study. Implications for other youth-engaged participatory science and leadership programs are presented. © The Author(s) 2016.

  15. A Phenomena-Oriented Environment for Teaching Process Modeling: Novel Modeling Software and Its Use in Problem Solving.

    ERIC Educational Resources Information Center

    Foss, Alan S.; Geurts, Kevin R.; Goodeve, Peter J.; Dahm, Kevin D.; Stephanopoulos, George; Bieszczad, Jerry; Koulouris, Alexandros

    1999-01-01

    Discusses a program that offers students a phenomenon-oriented environment expressed in the fundamental concepts and language of chemical engineering such as mass and energy balancing, phase equilibria, reaction stoichiometry and rate, modes of heat, and species transport. (CCM)

  16. 78 FR 730 - State Program Requirements; Approval of Application To Administer Partial National Pollutant...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-01-04

    ...) at facilities whose primary industrial activity is storage of grain, feed seed, fertilizer, and... incidentally store grain, feed seed, fertilizer, and agriculture chemicals to support the primary activity of..., except those related to wood preservation and processing regulated pursuant to 40 CFR part 429 (Timber...

  17. 40 CFR 180.7 - Petitions proposing tolerances or exemptions for pesticide residues in or on raw agricultural...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... exemptions for pesticide residues in or on raw agricultural commodities or processed foods. 180.7 Section 180.7 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Procedural Regulations § 180.7 Petitions...

  18. 40 CFR 180.7 - Petitions proposing tolerances or exemptions for pesticide residues in or on raw agricultural...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... exemptions for pesticide residues in or on raw agricultural commodities or processed foods. 180.7 Section 180.7 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Procedural Regulations § 180.7 Petitions...

  19. 40 CFR 180.7 - Petitions proposing tolerances or exemptions for pesticide residues in or on raw agricultural...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... exemptions for pesticide residues in or on raw agricultural commodities or processed foods. 180.7 Section 180.7 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Procedural Regulations § 180.7 Petitions...

  20. 40 CFR 180.491 - Propylene oxide; tolerances for residues.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances... commodities: Commodity Parts per million Basil, dried leaves 6000 Cacao bean, dried bean 20.0 Cacao bean... basil 1500 Nutmeat, processed, except peanuts 10.0 Onion, dried 6000 Plum, prune, dried 2.0 (b) Section...

  1. REMOVAL OF ORGANIC CCL CONTAMINANTS FROM DRINKING WATERS BY GAC, AIR STRIPPING, AND MEMBRANE PROCESSES

    EPA Science Inventory

    The 1996 amendments to the Safe Drinking Water Act (SWDA) require the US Environmental Protection Agency (USEPA) to establish a list of unregulated microbiological and chemical contaminants to aid in priority-setting for the Agency's drinking water program. This list, known as t...

  2. Our changing planet: The FY 1993 US global change research program. A supplement to the US President's fiscal year 1993 budget

    NASA Technical Reports Server (NTRS)

    1992-01-01

    An improved predictive understanding of the integrated Earth system, including human interactions, will provide direct benefits by anticipating and planning for possible impacts on commerce, agriculture, energy, resource utilization, human safety, and environmental quality. The central goal of the U.S. Global Change Research Program (USGCRP) is to help establish the scientific understanding and the basis for national and international policymaking related to natural and human-induced changes in the global Earth system. This will be accomplished through: (1) establishing an integrated, comprehensive, long-term program of documenting the Earth system on a global scale; (2) conducting a program of focused studies to improve our understanding of the physical, geological, chemical, biological, and social processes that influence the Earth system processes; and (3) developing integrated conceptual and predictive Earth system models.

  3. Major accident prevention through applying safety knowledge management approach.

    PubMed

    Kalatpour, Omid

    2016-01-01

    Many scattered resources of knowledge are available to use for chemical accident prevention purposes. The common approach to management process safety, including using databases and referring to the available knowledge has some drawbacks. The main goal of this article was to devise a new emerged knowledge base (KB) for the chemical accident prevention domain. The scattered sources of safety knowledge were identified and scanned. Then, the collected knowledge was formalized through a computerized program. The Protégé software was used to formalize and represent the stored safety knowledge. The domain knowledge retrieved as well as data and information. This optimized approach improved safety and health knowledge management (KM) process and resolved some typical problems in the KM process. Upgrading the traditional resources of safety databases into the KBs can improve the interaction between the users and knowledge repository.

  4. Do Training Programs Work? An Assessment of Pharmacists Activities in the Field of Chemical Dependency.

    ERIC Educational Resources Information Center

    Brooks, Valerie G.; Brock, Tina Penick; Ahn, Jungeun

    2001-01-01

    Seeks to determine if pharmacists who attended a chemical dependency training program were performing more chemical dependency related activities. Results reveal that participants were more likely to perform the following activities: lecture to community groups about chemical dependency; participate in a pharmacists' recovery program; provide…

  5. Large Aircraft Robotic Paint Stripping (LARPS) system and the high pressure water process

    NASA Astrophysics Data System (ADS)

    See, David W.; Hofacker, Scott A.; Stone, M. Anthony; Harbaugh, Darcy

    1993-03-01

    The aircraft maintenance industry is beset by new Environmental Protection Agency (EPA) guidelines on air emissions, Occupational Safety and Health Administration (OSHA) standards, dwindling labor markets, Federal Aviation Administration (FAA) safety guidelines, and increased operating costs. In light of these factors, the USAF's Wright Laboratory Manufacturing Technology Directorate and the Aircraft Division of the Oklahoma City Air Logistics Center initiated a MANTECH/REPTECH effort to automate an alternate paint removal method and eliminate the current manual methylene chloride chemical stripping methods. This paper presents some of the background and history of the LARPS program, describes the LARPS system, documents the projected operational flow, quantifies some of the projected system benefits and describes the High Pressure Water Stripping Process. Certification of an alternative paint removal method to replace the current chemical process is being performed in two phases: Process Optimization and Process Validation. This paper also presents the results of the Process Optimization for metal substrates. Data on the coating removal rate, residual stresses, surface roughness, preliminary process envelopes, and technical plans for process Validation Testing will be discussed.

  6. Membrane separation systems---A research and development needs assessment

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Baker, R.W.; Cussler, E.L.; Eykamp, W.

    1990-04-01

    Industrial separation processes consume a significant portion of the energy used in the United States. A 1986 survey by the Office of Industrial Programs estimated that about 4.2 quads of energy are expended annually on distillation, drying and evaporation operations. This survey also concluded that over 0.8 quads of energy could be saved in the chemical, petroleum and food industries alone if these industries adopted membrane separation systems more widely. Membrane separation systems offer significant advantages over existing separation processes. In addition to consuming less energy than conventional processes, membrane systems are compact and modular, enabling easy retrofit to existingmore » industrial processes. The present study was commissioned by the Department of Energy, Office of Program Analysis, to identify and prioritize membrane research needs in light of DOE's mission. Each report will be individually cataloged.« less

  7. An open framework for automated chemical hazard assessment based on GreenScreen for Safer Chemicals: A proof of concept.

    PubMed

    Wehage, Kristopher; Chenhansa, Panan; Schoenung, Julie M

    2017-01-01

    GreenScreen® for Safer Chemicals is a framework for comparative chemical hazard assessment. It is the first transparent, open and publicly accessible framework of its kind, allowing manufacturers and governmental agencies to make informed decisions about the chemicals and substances used in consumer products and buildings. In the GreenScreen® benchmarking process, chemical hazards are assessed and classified based on 18 hazard endpoints from up to 30 different sources. The result is a simple numerical benchmark score and accompanying assessment report that allows users to flag chemicals of concern and identify safer alternatives. Although the screening process is straightforward, aggregating and sorting hazard data is tedious, time-consuming, and prone to human error. In light of these challenges, the present work demonstrates the usage of automation to cull chemical hazard data from publicly available internet resources, assign metadata, and perform a GreenScreen® hazard assessment using the GreenScreen® "List Translator." The automated technique, written as a module in the Python programming language, generates GreenScreen® List Translation data for over 3000 chemicals in approximately 30 s. Discussion of the potential benefits and limitations of automated techniques is provided. By embedding the library into a web-based graphical user interface, the extensibility of the library is demonstrated. The accompanying source code is made available to the hazard assessment community. Integr Environ Assess Manag 2017;13:167-176. © 2016 SETAC. © 2016 SETAC.

  8. Annual Report 1998: Chemical Structure and Dynamics

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    SD Colson; RS McDowell

    1999-05-10

    The Chemical Structure and Dynamics (CS&D) program is a major component of the William R. Wiley Environmental Molecular Sciences Labo- ratory (EMSL), developed by Pacific Northwest National Laboratory (PNNL) to provide a state-of- the-art collaborative facility for studies of chemical structure and dynamics. We respond to the need for a fundamental, molecular-level understanding of chemistry at a wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interracial chemical processes within which the new knowledge generatedmore » can be brought to bear on complex phenomena in envi- ronmental chemistry and in nuclear waste proc- essing and storage; and (3) developing state-of- the-art analytical methods for characterizing com- plex materials of the types found in stored wastes and contaminated soils, and for detecting and monitoring trace atmospheric species. Our program aims at achieving a quantitative understanding of chemical reactions at interfaces and, more generally, in condensed media, compa- rable to that currently available for gas-phase reactions. This understanding will form the basis for the development of a priori theories for pre- dicting macroscopic chemical behavior in con- densed and heterogeneous media, which will add significantly to the value of field-scale envi- ronmental models, predictions of short- and long- term nuclear waste storage stabilities, and other areas related to the primary missions of the U.S. Department of Energy (DOE).« less

  9. Materials processing in space: Future technology trends

    NASA Technical Reports Server (NTRS)

    Barter, N. J.

    1980-01-01

    NASA's materials processing in space- (MPS) program involves both ground and space-based research and looks to frequent and cost effective access to the space environment for necessary progress. The first generation payloads for research are under active design and development. They will be hosted by the Space Shuttle/Spacelab on Earth orbital flights in the early 1980's. hese missions will focus on the acquisition of materials behavior research data, the potential enhancement of Earth based technology, and the implementation of space based processing for specialized, high value materials. Some materials to be studied in these payloads may provide future breakthroughs for stronger alloys, ultrapure glasses, superior electronic components, and new or better chemicals. An operational 25 kW power system is expected to be operational to support sustained, systematic space processing activity beyond shuttle capability for second generation payload systems for SPACELAB and free flyer missions to study solidification and crystal growth and to process metal/alloys, glasses/ceramics, and chemicals and biologicals.

  10. Waste streams in a crewed space habitat

    NASA Technical Reports Server (NTRS)

    Wydeven, T.; Golub, M. A.

    1991-01-01

    A judicious compilation of generation rates and chemical compositions of potential waste feed streams in a typical crewed space habitat was made in connection with the waste-management aspect of NASA's Physical/Chemical Closed-Loop Life Support Program. Waste composition definitions are needed for the design of waste-processing technologies involved in closing major life support functions in future long-duration human space missions. Tables of data for the constituents and chemical formulas of the following waste streams are presented and discussed: human urine, feces, hygiene (laundry and shower) water, cleansing agents, trash, humidity condensate, dried sweat, and trace contaminants. Tables of data on dust generation and pH values of the different waste streams are also presented and discussed.

  11. Selected Physical, Chemical, and Biological Data Used to Study Urbanizing Streams in Nine Metropolitan Areas of the United States, 1999-2004

    USGS Publications Warehouse

    Giddings, Elise M.P.; Bell, Amanda H.; Beaulieu, Karen M.; Cuffney, Thomas F.; Coles, James F.; Brown, Larry R.; Fitzpatrick, Faith A.; Falcone, James A.; Sprague, Lori A.; Bryant, Wade L.; Peppler, Marie C.; Stephens, Cory; McMahon, Gerard

    2009-01-01

    This report documents and summarizes physical, chemical, and biological data collected during 1999-2004 in a study titled Effects of Urbanization on Stream Ecosystems, undertaken as part of the U.S. Geological Survey's National Water-Quality Assessment Program. Data-collection methods and data processing are described in this report for streamflow; stream temperature; instream chemistry; instream aquatic habitat; and algal, macroinvertebrate, and fish communities. Data summaries prepared for analytical use are presented in downloadable data tables.

  12. Environmental evaluation of alternatives for long-term management of Defense high-level radioactive wastes at the Idaho Chemical Processing Plant

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    1982-09-01

    The U.S. Department of Energy (DOE) is considering the selection of a strategy for the long-term management of the defense high-level wastes at the Idaho Chemical Processing Plant (ICPP). This report describes the environmental impacts of alternative strategies. These alternative strategies include leaving the calcine in its present form at the Idaho National Engineering Laboratory (INEL), or retrieving and modifying the calcine to a more durable waste form and disposing of it either at the INEL or in an offsite repository. This report addresses only the alternatives for a program to manage the high-level waste generated at the ICPP. 24more » figures, 60 tables.« less

  13. New generation of docking programs: Supercomputer validation of force fields and quantum-chemical methods for docking.

    PubMed

    Sulimov, Alexey V; Kutov, Danil C; Katkova, Ekaterina V; Ilin, Ivan S; Sulimov, Vladimir B

    2017-11-01

    Discovery of new inhibitors of the protein associated with a given disease is the initial and most important stage of the whole process of the rational development of new pharmaceutical substances. New inhibitors block the active site of the target protein and the disease is cured. Computer-aided molecular modeling can considerably increase effectiveness of new inhibitors development. Reliable predictions of the target protein inhibition by a small molecule, ligand, is defined by the accuracy of docking programs. Such programs position a ligand in the target protein and estimate the protein-ligand binding energy. Positioning accuracy of modern docking programs is satisfactory. However, the accuracy of binding energy calculations is too low to predict good inhibitors. For effective application of docking programs to new inhibitors development the accuracy of binding energy calculations should be higher than 1kcal/mol. Reasons of limited accuracy of modern docking programs are discussed. One of the most important aspects limiting this accuracy is imperfection of protein-ligand energy calculations. Results of supercomputer validation of several force fields and quantum-chemical methods for docking are presented. The validation was performed by quasi-docking as follows. First, the low energy minima spectra of 16 protein-ligand complexes were found by exhaustive minima search in the MMFF94 force field. Second, energies of the lowest 8192 minima are recalculated with CHARMM force field and PM6-D3H4X and PM7 quantum-chemical methods for each complex. The analysis of minima energies reveals the docking positioning accuracies of the PM7 and PM6-D3H4X quantum-chemical methods and the CHARMM force field are close to one another and they are better than the positioning accuracy of the MMFF94 force field. Copyright © 2017 Elsevier Inc. All rights reserved.

  14. American Chemical Society Student Affiliates Chapters: More Than Just Chemistry Clubs

    NASA Astrophysics Data System (ADS)

    Montes, Ingrid; Collazo, Carmen

    2003-10-01

    Chemistry educators often examine and implement various instructional techniques, such as mentoring programs, to advance learning objectives and to equip students with analytical and technical skills, as well as the skills required of chemical science professionals. Student organizations, such as an American Chemical Society Student Affiliates (SA) chapter, can create a learning environment for undergraduates by engaging them in activities that develop communication, teamwork and inquiry, analysis, and problem-solving skills within a real-world setting. The environment is student-based, has personal meaning for the learner, emphasizes a process-and-product orientation, and emphasizes evaluation. Participation in SAs enhance the traditional chemistry curriculum, complementing the learning goals and meeting learning objectives that might not otherwise be addressed in the curriculum. In this article we discuss how SA chapters enhance the educational experience of undergraduate chemical science students, help develop new chemistry professionals, and shape enthusiastic and committed future chemical science leaders.

  15. Energy and Environment Division annual report, 1978

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Camp, J.A.

    1978-01-01

    Research activities of this Division are reported under nine separate programs, namely: Energy Analysis; Solar Energy; Energy-Efficient Buildings; Chemical Process Research and Development; Environmental Research; Atmospheric Aerosol Research; Oil Shale Research; Instrumentation Development; and Combustion Research. A separate abstract was prepared for each of the nine programs, each of which contained several individual research summaries, with responsible researchers listed. All of the abstracts will appear in Energy Research Abstracts (ERA), and five will appear in Energy Abstracts for Policy Analysis (EAPA).

  16. ACToR: Aggregated Computational Toxicology Resource (T) ...

    EPA Pesticide Factsheets

    The EPA Aggregated Computational Toxicology Resource (ACToR) is a set of databases compiling information on chemicals in the environment from a large number of public and in-house EPA sources. ACToR has 3 main goals: (1) The serve as a repository of public toxicology information on chemicals of interest to the EPA, and in particular to be a central source for the testing data on all chemicals regulated by all EPA programs; (2) To be a source of in vivo training data sets for building in vitro to in vivo computational models; (3) To serve as a central source of chemical structure and identity information for the ToxCastTM and Tox21 programs. There are 4 main databases, all linked through a common set of chemical information and a common structure linking chemicals to assay data: the public ACToR system (available at http://actor.epa.gov), the ToxMiner database holding ToxCast and Tox21 data, along with results form statistical analyses on these data; the Tox21 chemical repository which is managing the ordering and sample tracking process for the larger Tox21 project; and the public version of ToxRefDB. The public ACToR system contains information on ~500K compounds with toxicology, exposure and chemical property information from >400 public sources. The web site is visited by ~1,000 unique users per month and generates ~1,000 page requests per day on average. The databases are built on open source technology, which has allowed us to export them to a number of col

  17. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Davis, B.E.; Singleton, A.H.; McAllister, K.K.

    During the past twenty-five years, there have been significant developments in Underground Coal Gasification technology in the US. Government-funded programs have focused on the development of two process configurations: the Controlled Retracting Injection Point (CRIP) and the Steeply Dipping Bed (SDB). Private industry has participated in these programs and is continuing its activities in the development and commercialization of these technologies. This paper will trace the evolution of today`s processes from their origins in the Russian technologies and advancements that are continuing to be made in bringing the technologies to commercial reality in both the US and overseas. The statusmore » of both the CRIP and SDB technologies will be discussed along with developments in processes for utilization of the UCG product gas to generate power and to make chemicals and liquid fuels.« less

  18. Experimental verification of the thermodynamic properties for a jet-A fuel

    NASA Technical Reports Server (NTRS)

    Graciasalcedo, Carmen M.; Brabbs, Theodore A.; Mcbride, Bonnie J.

    1988-01-01

    Thermodynamic properties for a Jet-A fuel were determined by Shell Development Company in 1970 under a contract for NASA Lewis Research Center. The polynomial fit necessary to include Jet-A fuel (liquid and gaseous phases) in the library of thermodynamic properties of the NASA Lewis Chemical Equilibrium Program is calculated. To verify the thermodynamic data, the temperatures of mixtures of liquid Jet-A injected into a hot nitrogen stream were experimentally measured and compared to those calculated by the program. Iso-octane, a fuel for which the thermodynamic properties are well known, was used as a standard to calibrate the apparatus. The measured temperatures for the iso-octane/nitrogen mixtures reproduced the calculated temperatures except for a small loss due to the non-adiabatic behavior of the apparatus. The measurements for Jet-A were corrected for this heat loss and showed excellent agreement with the calculated temperatures. These experiments show that this process can be adequately described by the thermodynamic properties fitted for the Chemical Equilibrium Program.

  19. Chemical Demilitarization Assembled Chemical Weapons Alternatives (Chem Demil-ACWA)

    DTIC Science & Technology

    2015-12-01

    Weapons Alternatives (Chem Demil-ACWA) is performing a portion of the chemical warfare materiel elimination mission. In 1996, Congress and the...Selected Acquisition Report (SAR) RCS: DD-A&T(Q&A)823-243 Chemical Demilitarization-Assembled Chemical Weapons Alternatives (Chem Demil-ACWA) As...Date Assigned: December 19, 2010 Program Information Program Name Chemical Demilitarization-Assembled Chemical Weapons Alternatives (Chem Demil

  20. 40 CFR 180.472 - Imidacloprid; tolerances for residues.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances... 1.0 Banana 0.50 Beet, sugar, molasses 0.30 Beet, sugar, roots 0.05 Beet, sugar, tops 0.50 Biriba 0... Persimmon 3.0 Pistachio 0.05 Pomegranate 0.90 Potato, chip 0.40 Potato, processed potato waste 0.90 Poultry...

  1. 40 CFR 180.472 - Imidacloprid; tolerances for residues.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances... 1.0 Banana 0.50 Beet, sugar, molasses 0.30 Beet, sugar, roots 0.05 Beet, sugar, tops 0.50 Biriba 0....75 Pecan 0.05 Persimmon 3.0 Pistachio 0.05 Pomegranate 0.90 Potato, chip 0.40 Potato, processed...

  2. 40 CFR 180.472 - Imidacloprid; tolerances for residues.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances... 1.0 Banana 0.50 Beet, sugar, molasses 0.30 Beet, sugar, roots 0.05 Beet, sugar, tops 0.50 Biriba 0....75 Pecan 0.05 Persimmon 3.0 Pistachio 0.05 Pomegranate 0.90 Potato, chip 0.40 Potato, processed...

  3. Application of Targeted Functional Assays to Assess a Putative Vascular Disruption Developmental Toxicity Pathway Informed By ToxCast High-Throughput Screening Data

    EPA Science Inventory

    Chemical perturbation of vascular development is a putative toxicity pathway which may result in developmental toxicity. EPA’s high-throughput screening (HTS) ToxCast program contains assays which measure cellular signals and biological processes critical for blood vessel develop...

  4. 40 CFR 180.1225 - Decanoic acid; exemption from the requirement of a tolerance.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ..., breweries, wineries, beverage and food processing plants. [68 FR 7939, Feb. 19, 2003; 68 FR 17308, Apr. 9... AGENCY (CONTINUED) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD... acid (up to 170 ppm per application) on food contact surfaces such as equipment, pipelines, tanks, vats...

  5. Facilitative effect of graphene quantum dots in MoS2 growth process by chemical vapor deposition

    NASA Astrophysics Data System (ADS)

    Zhang, Lu; Wang, Yongsheng; Dong, Yanfang; Zhao, Xuan; Fu, Chen; He, Dawei

    2018-01-01

    Not Available Project supported by the National Basic Research Program of China (Grant Nos. 2016YFA0202300 and 2016YFA0202302), the National Natural Science Foundation of China (Grant Nos. 61527817, 61335006, and 61378073), and the Overseas Expertise Introduction Center for Discipline Innovation, 111 Center, China.

  6. Strategy for Coordinated EPA/Occupational Safety and Health Administration (OSHA) Implementation of the Chemical Accident Prevention Requirements of the Clean Air Act Amendments of 1990

    EPA Pesticide Factsheets

    EPA and the Occupational Safety and Health Administration (OSHA) share responsibility for prevention: OSHA has the Process Safety Management Standard to protect workers, and EPA the Risk Management Program to protect the general public and environment.

  7. 40 CFR Table 35 to Subpart G of... - Control Requirements for Items of Equipment That Meet the Criteria of § 63.149 of Subpart G

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) NATIONAL EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS FOR SOURCE CATEGORIES National Emission Standards for Organic Hazardous Air Pollutants From the Synthetic Organic Chemical Manufacturing Industry for Process Vents, Storage...

  8. Information security management system planning for CBRN facilities

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lenaeu, Joseph D.; O'Neil, Lori Ross; Leitch, Rosalyn M.

    The focus of this document is to provide guidance for the development of information security management system planning documents at chemical, biological, radiological, or nuclear (CBRN) facilities. It describes a risk-based approach for planning information security programs based on the sensitivity of the data developed, processed, communicated, and stored on facility information systems.

  9. Profit opportunities for the chemical process industries

    NASA Technical Reports Server (NTRS)

    1971-01-01

    Papers given at a seminar designed to assist industry in the utilization of NASA-developed technology are presented. The topics include the following: the Technology Utilization program, NASA patent policy changes, transfer of Hysttl resin technology, nonflammable cellulosic materials development, nonflammable paper technology, circuit board laminates and construction, polymide resins and other polymers, and intumescent coatings.

  10. Investigation of the Physical Processes Governing Large-Scale Tracer Transport in the Stratosphere and Troposphere

    NASA Technical Reports Server (NTRS)

    Selkirk, Henry B.

    2001-01-01

    This report summarizes work conducted from January 1996 through April 1999 on a program of research to investigate the physical mechanisms that underlie the transport of trace constituents in the stratosphere-troposphere system. The primary scientific goal of the research has been to identify the processes which transport air masses within the lower stratosphere, particularly between the tropics and middle latitudes. This research was conducted in collaboration with the Subsonic Assessment (SASS) of the NASA Atmospheric Effects of Radiation Program (AEAP) and the Upper Atmospheric Research Program (UARP). The SASS program sought to understand the impact of the present and future fleets of conventional jet traffic on the upper troposphere and lower stratosphere, while complementary airborne observations under UARP seek to understand the complex interactions of dynamical and chemical processes that affect the ozone layer. The present investigation contributed to the goals of each of these by diagnosing the history of air parcels intercepted by NASA research aircraft in UARP and AEAP campaigns. This was done by means of a blend of trajectory analyses and tracer correlation techniques.

  11. Fingerprinting of Materials: Technical Supplement

    NASA Technical Reports Server (NTRS)

    Workman, Gary L.

    1992-01-01

    This supplement to the Guidelines for Maintaining a Chemical Fingerprinting Program has been developed to assist NASA personnel, contractors, and sub-contractors in defining the technical aspects and basic concepts which can be used in chemical fingerprinting programs. This material is not meant to be totally inclusive to all chemical fingerprinting programs, but merely to present current concepts. Each program will be tailored to meet the needs of the individual organizations using chemical fingerprinting to improve their quality and reliability in the production of aerospace systems.

  12. DOE Office of Scientific and Technical Information (OSTI.GOV)

    NONE

    This document comprises Pacific Northwest National Laboratory`s report for Fiscal Year 1996 on research and development programs. The document contains 161 project summaries in 16 areas of research and development. The 16 areas of research and development reported on are: atmospheric sciences, biotechnology, chemical instrumentation and analysis, computer and information science, ecological science, electronics and sensors, health protection and dosimetry, hydrological and geologic sciences, marine sciences, materials science and engineering, molecular science, process science and engineering, risk and safety analysis, socio-technical systems analysis, statistics and applied mathematics, and thermal and energy systems. In addition, this report provides an overview ofmore » the research and development program, program management, program funding, and Fiscal Year 1997 projects.« less

  13. Publications of the NASA Controlled Ecological Life Support System (CELSS) program 1989-1992

    NASA Technical Reports Server (NTRS)

    Powers, Janet V.

    1994-01-01

    Publications of research sponsored by the NASA Controlled Ecological Life Support System (CELSS) program are listed. The CELSS program encompasses research and technology with the goal of developing an autonomous bioregenerative life support system, which is based upon the integration of biological and physical/chemical processes, that will produce nutritious and palatable food, potable and hygienic water, and a breathable atmosphere by recycling metabolic and other wastes. This research and technology development is being performed in the areas of biomass production/food processing, waste management, and systems management and control. The bibliography follows these divisions. Principal investigators whose research tasks resulted in publication are identified by an asterisk. Publications are identified by a record number corresponding with their entry in the Life Sciences Bibliographic Database, maintained at the George Washington University.

  14. Using SIR (Scientific Information Retrieval System) for data management during a field program

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tichler, J.L.

    As part of the US Department of Energy's program, PRocessing of Emissions by Clouds and Precipitation (PRECP), a team of scientists from four laboratories conducted a study in north central New York State, to characterize the chemical and physical processes occurring in winter storms. Sampling took place from three aircraft, two instrumented motor homes and a network of 26 surface precipitation sampling sites. Data management personnel were part of the field program, using a portable IBM PC-AT computer to enter information as it became available during the field study. Having the same database software on the field computer and onmore » the cluster of VAX 11/785 computers in use aided database development and the transfer of data between machines. 2 refs., 3 figs., 5 tabs.« less

  15. GOMA 6.0 :

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Schunk, Peter Randall; Rao, Rekha Ranjana; Chen, Ken S

    Goma 6.0 is a finite element program which excels in analyses of multiphysical processes, particularly those involving the major branches of mechanics (viz. fluid/solid mechanics, energy transport and chemical species transport). Goma is based on a full-Newton-coupled algorithm which allows for simultaneous solution of the governing principles, making the code ideally suited for problems involving closely coupled bulk mechanics and interfacial phenomena. Example applications include, but are not limited to, coating and polymer processing flows, super-alloy processing, welding/soldering, electrochemical processes, and solid-network or solution film drying. This document serves as a users guide and reference.

  16. Digital image processing of vascular angiograms

    NASA Technical Reports Server (NTRS)

    Selzer, R. H.; Blankenhorn, D. H.; Beckenbach, E. S.; Crawford, D. W.; Brooks, S. H.

    1975-01-01

    A computer image processing technique was developed to estimate the degree of atherosclerosis in the human femoral artery. With an angiographic film of the vessel as input, the computer was programmed to estimate vessel abnormality through a series of measurements, some derived primarily from the vessel edge information and others from optical density variations within the lumen shadow. These measurements were combined into an atherosclerosis index, which was found to correlate well with both visual and chemical estimates of atherosclerotic disease.

  17. The Future of Nearshore Processes Research: U.S. Integrated Coastal Research Program

    NASA Astrophysics Data System (ADS)

    Elko, N.; Feddersen, F.; Foster, D. L.; Hapke, C. J.; Holman, R. A.; McNinch, J.; Mulligan, R. P.; Ozkan-Haller, H. T.; Plant, N. G.; Raubenheimer, B.

    2016-02-01

    The authors, representing the acting Nearshore Advisory Council, have developed an implementation plan for a U.S. Nearshore Research Program based on the 2015 Future of Nearshore Processes report that was authored by the nearshore community. The objectives of the plan are to link research programs across federal agencies, NGOs, industry, and academia into an integrated national program and to increase academic and NGO participation in federal agency nearshore processes research. A primary recommendation is interagency collaboration to build a research program that will coordinate and fund U.S. nearshore processes research across three broad research themes: 1) long-term coastal evolution due to natural and anthropogenic processes; 2) extreme events; and 3) physical, biological and chemical processes impacting human and ecosystem health. The plan calls for a new program to be developed by an executive committee of federal agency leaders, NGOs, and an academic representative, created similarly to the existing NOPP program. This leadership will be established prior to the 2016 Ocean Sciences meeting and will have agreed on responsibilities and a schedule for development of the research program. To begin to understand the scope of today's U.S. coastal research investment, a survey was distributed to ten federal agency R&D program heads. Six of the ten agencies indicated that they fund coastal research, with a combined annual coastal research budget of nearly 100 million (NSF has not responded). The priority of the three research themes were ranked nearly equally and potential research support ranged from 15-19 million for each theme, with approximately 12 million as direct contribution to academic research. Beyond addressing our fundamental science questions, it is critical that the nearshore community stay organized to represent academic interests on the new executive committee. The program goal is the integration of academic, NGO, and federal agencies.

  18. [Design of a Hazard Analysis and Critical Control Points (HACCP) plan to assure the safety of a bologna product produced by a meat processing plant].

    PubMed

    Bou Rached, Lizet; Ascanio, Norelis; Hernández, Pilar

    2004-03-01

    The Hazard Analysis and Critical Control Point (HACCP) is a systematic integral program used to identify and estimate the hazards (microbiological, chemical and physical) and the risks generated during the primary production, processing, storage, distribution, expense and consumption of foods. To establish a program of HACCP has advantages, being some of them: to emphasize more in the prevention than in the detection, to diminish the costs, to minimize the risk of manufacturing faulty products, to allow bigger trust to the management, to strengthen the national and international competitiveness, among others. The present work is a proposal based on the design of an HACCP program to guarantee the safety of the Bologna Special Type elaborated by a meat products industry, through the determination of hazards (microbiological, chemical or physical), the identification of critical control points (CCP), the establishment of critical limits, plan corrective actions and the establishment of documentation and verification procedures. The used methodology was based in the application of the seven basic principles settled down by the Codex Alimentarius, obtaining the design of this program. In view of the fact that recently the meat products are linked with pathogens like E. coli O157:H7 and Listeria monocytogenes, these were contemplated as microbiological hazard for the establishment of the HACCP plan whose application will guarantee the obtaining of a safe product.

  19. A feasibility study of the destruction of chemical weapons by photocatalytic oxidation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hitchman, M.L.; Spackman, A.R.; Yusta, F.J.

    1997-01-01

    The destruction of existing arsenals or deposits of chemical weapons is an important obstacle on the way to the successful implementation of the Chemical Weapons Convention which was opened for signature in 1993. Many approaches have been proposed and none can be seen as panacea. Each has its merits and shortcomings. In this paper we review the different technologies and propose a new one, photocatalytic oxidation, which has the potential to fill an important gap; a cheap, small, mobile facility for chemical warfare agents which are difficult to transport or are deposited in a remote area. We report some relevantmore » experimental results with this technology for the destruction of chemical weapons. After many years of negotiation, a convention banning the production, possession and use of chemical weapons was opened for signature in Paris on January 13, 1993. The convention, once it is ratified, will provide a framework and a program for the destruction of chemical weapons by the nations party to it. The framework will cover such topics as definitions of terminology, general rules of verification and verification measures, level of destruction of chemical weapons, activities not prohibited under the convention, and investigations in cases of alleged use of chemical weapons. The program will require that countries with chemical weapons shall start their destruction not later than one year after they have ratified the convention, and that they shall complete it within a ten year period. For this period involved countries are required to declare their plans for destruction. These plans have to include a time schedule for the destruction process, an inventory of equipment and buildings to be destroyed, proposed measures for verification, safety measures to be observed during destruction, specification of the types of chemical weapons and the type and quantity of chemical fill to be destroyed, and specification of the destruction method. 38 refs.« less

  20. An editor for the generation and customization of geometry restraints

    DOE PAGES

    Moriarty, Nigel W.; Draizen, Eli J.; Adams, Paul D.

    2017-02-01

    Chemical restraints for use in macromolecular structure refinement are produced by a variety of methods, including a number of programs that use chemical information to generate the required bond, angle, dihedral, chiral and planar restraints. These programs help to automate the process and therefore minimize the errors that could otherwise occur if it were performed manually. Furthermore, restraint-dictionary generation programs can incorporate chemical and other prior knowledge to provide reasonable choices of types and values. However, the use of restraints to define the geometry of a molecule is an approximation introduced with efficiency in mind. The representation of a bondmore » as a parabolic function is a convenience and does not reflect the true variability in even the simplest of molecules. Another complicating factor is the interplay of the molecule with other parts of the macromolecular model. Finally, difficult situations arise from molecules with rare or unusual moieties that may not have their conformational space fully explored. These factors give rise to the need for an interactive editor for WYSIWYG interactions with the restraints and molecule. Restraints Editor, Especially Ligands (REEL) is a graphical user interface for simple and error-free editing along with additional features to provide greater control of the restraint dictionaries in macromolecular refinement.« less

  1. Searching for “Environmentally-Benign” Antifouling Biocides

    PubMed Central

    Cui, Yan Ting; Teo, Serena L. M.; Leong, Wai; Chai, Christina L. L.

    2014-01-01

    As the result of the ecological impacts from the use of tributyltins (TBT) in shipping, environmental legislation for the registration of chemicals for use in the environment has grown to a monumental challenge requiring product dossiers to include information on the environmental fate and behavior of any chemicals. Specifically, persistence, bioaccumulation and toxicity, collectively known as PBT, are properties of concern in the assessment of chemicals. However, existing measurements of PBT properties are a cumbersome and expensive process, and thus not applied in the early stages of the product discovery and development. Inexpensive methods for preliminary PBT screening would minimize risks arising with the subsequent registration of products. In this article, we evaluated the PBT properties of compounds reported to possess anti-fouling properties using QSAR (quantitative structure-activity relationship) prediction programs such as BIOWIN™ (a biodegradation probability program), KOWWIN™ (log octanol-water partition coefficient calculation program) and ECOSAR™ (Ecological Structure Activity Relationship Programme). The analyses identified some small (Mr < 400) synthetic and natural products as potential candidates for environmentally benign biocides. We aim to demonstrate that while these methods of estimation have limitations, when applied with discretion, they are powerful tools useful in the early stages of research for compound selection for further development as anti-foulants. PMID:24865489

  2. An editor for the generation and customization of geometry restraints.

    PubMed

    Moriarty, Nigel W; Draizen, Eli J; Adams, Paul D

    2017-02-01

    Chemical restraints for use in macromolecular structure refinement are produced by a variety of methods, including a number of programs that use chemical information to generate the required bond, angle, dihedral, chiral and planar restraints. These programs help to automate the process and therefore minimize the errors that could otherwise occur if it were performed manually. Furthermore, restraint-dictionary generation programs can incorporate chemical and other prior knowledge to provide reasonable choices of types and values. However, the use of restraints to define the geometry of a molecule is an approximation introduced with efficiency in mind. The representation of a bond as a parabolic function is a convenience and does not reflect the true variability in even the simplest of molecules. Another complicating factor is the interplay of the molecule with other parts of the macromolecular model. Finally, difficult situations arise from molecules with rare or unusual moieties that may not have their conformational space fully explored. These factors give rise to the need for an interactive editor for WYSIWYG interactions with the restraints and molecule. Restraints Editor, Especially Ligands (REEL) is a graphical user interface for simple and error-free editing along with additional features to provide greater control of the restraint dictionaries in macromolecular refinement.

  3. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kim, J.; Moon, T.J.; Howell, J.R.

    This paper presents an analysis of the heat transfer occurring during an in-situ curing process for which infrared energy is provided on the surface of polymer composite during winding. The material system is Hercules prepreg AS4/3501-6. Thermoset composites have an exothermic chemical reaction during the curing process. An Eulerian thermochemical model is developed for the heat transfer analysis of helical winding. The model incorporates heat generation due to the chemical reaction. Several assumptions are made leading to a two-dimensional, thermochemical model. For simplicity, 360{degree} heating around the mandrel is considered. In order to generate the appropriate process windows, the developedmore » heat transfer model is combined with a simple winding time model. The process windows allow for a proper selection of process variables such as infrared energy input and winding velocity to give a desired end-product state. Steady-state temperatures are found for each combination of the process variables. A regression analysis is carried out to relate the process variables to the resulting steady-state temperatures. Using regression equations, process windows for a wide range of cylinder diameters are found. A general procedure to find process windows for Hercules AS4/3501-6 prepreg tape is coded in a FORTRAN program.« less

  4. Materials processing in zero gravity. [space manufacturing

    NASA Technical Reports Server (NTRS)

    Wuenscher, H. F.

    1973-01-01

    Manufacturing processes which are expected to show drastic changes in a space environment due to the absence of earth gravity are classified according to (1) buoyancy and thermal convection sensitive processes and (2) processes where molecular forces like cohesion and adhesion remain as the relatively strongest and hence controlling factors. Some specific process demonstration experiments carried out during the Apollo 14 mission and in the Skylab program are described. These include chemical separation by electrophoresis, the M551 metals melting experiment, the M552 exothermic brazing experiment, the M553 sphere forming experiment, the M554 composite casting experiment, and the M555 gallium arsenide crystal growth experiment.

  5. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kaygusuz, K.

    Exergy analysis is a general method for efficiency analysis of systems and processes. The use of the exergy concept and the analysis of ultimate efficiencies of processes is more or less still limited to the academic world. There are several reasons why its industrial use is still limited. To overcome some of the difficulties in industrial applications of energy analysis, it has made use of exergy analysis. The chemical exergy of a substance is the maximum work that can be obtained from it by taking it to chemical equilibrium with the reference environment at a constant temperature and pressure. Themore » first law analysis gives only the quantity of energy, while the second law defines the quality of energy also. The projected increase in coal utilization in power plants makes it desirable to evaluate the energy content of coal both quantitatively and qualitatively. In the present study, the chemical exergies of some coals of good quality in Turkey were calculated with the BASIC program by using second law analysis and the results were given as tabulated.« less

  6. Promoting Chemistry at the Elementary Level: A Low-Maintenance Program of Chemical Demonstrations.

    ERIC Educational Resources Information Center

    Louters, Larry L.; Huisman, Richard D.

    1999-01-01

    Presents a chemical demonstration program designed to support elementary science education in which fifth- and sixth-grade students visit a college campus to watch chemical demonstrations performed by a professor. Contains suggestions for program set-up and references for demonstrations to use. (WRM)

  7. Dr. William Tumas - Associate Laboratory Director, Materials and Chemical

    Science.gov Websites

    Chemical Science and Technology Dr. William Tumas - Associate Laboratory Director, Materials and Chemical , technical direction, and workforce development of the materials and chemical science and technology , program management, and program execution. He joined NREL in December 2009 as Director of the Chemical and

  8. Brazilian Federal Police drug chemical profiling - the PeQui project.

    PubMed

    Zacca, Jorge J; Botelho, Elvio Dias; Vieira, Maurício L; Almeida, Fernanda L A; Ferreira, Luciana S; Maldaner, Adriano O

    2014-07-01

    Over the past six years the Brazilian Federal Police has undertaken major efforts in order to implement and to develop its own drug chemical profiling program. This paper aims to provide a broad perspective regarding the managerial strategies and some examples of subsequent technical issues involved in the implementation of such a project. Close collaboration with local drug enforcement and investigation teams, establishment of proper worldwide partnerships with well recognized institutions in the field of drug analysis and the attainment of suitable funding and human resources are shown to be key success factors. Some preliminary results concerning the chemical profile of cocaine seizures in Brazil during this process are presented. Copyright © 2014 Forensic Science Society. Published by Elsevier Ireland Ltd. All rights reserved.

  9. GCKP84-general chemical kinetics code for gas-phase flow and batch processes including heat transfer effects

    NASA Technical Reports Server (NTRS)

    Bittker, D. A.; Scullin, V. J.

    1984-01-01

    A general chemical kinetics code is described for complex, homogeneous ideal gas reactions in any chemical system. The main features of the GCKP84 code are flexibility, convenience, and speed of computation for many different reaction conditions. The code, which replaces the GCKP code published previously, solves numerically the differential equations for complex reaction in a batch system or one dimensional inviscid flow. It also solves numerically the nonlinear algebraic equations describing the well stirred reactor. A new state of the art numerical integration method is used for greatly increased speed in handling systems of stiff differential equations. The theory and the computer program, including details of input preparation and a guide to using the code are given.

  10. Accessibility of selenomethionine proteins by total chemical synthesis: structural studies of human herpesvirus-8 MIP-II.

    PubMed

    Shao, W; Fernandez, E; Wilken, J; Thompson, D A; Siani, M A; West, J; Lolis, E; Schweitzer, B I

    1998-12-11

    The determination of high resolution three-dimensional structures by X-ray crystallography or nuclear magnetic resonance (NMR) is a time-consuming process. Here we describe an approach to circumvent the cloning and expression of a recombinant protein as well as screening for heavy atom derivatives. The selenomethionine-modified chemokine macrophage inflammatory protein-II (MIP-II) from human herpesvirus-8 has been produced by total chemical synthesis, crystallized, and characterized by NMR. The protein has a secondary structure typical of other chemokines and forms a monomer in solution. These results indicate that total chemical synthesis can be used to accelerate the determination of three-dimensional structures of new proteins identified in genome programs.

  11. Ionospheric chemistry. [minor neutrals and ionized constituents of thermosphere

    NASA Technical Reports Server (NTRS)

    Torr, D. G.

    1979-01-01

    This report deals primarily with progress in the chemistry of minor neutrals and ionized constituents of the thermosphere. Significant progress was made over the last few years in quantitative studies of many chemical processes. This success was primarily due to the advent of multiparameter multisatellite programs which permitted accurate simultaneous measurements to be made of many important parameters. In many cases studies of chemical reactions were made with laboratory-like precision. Rate coefficients have been derived as functions of temperature for a number of important reactions. New information has been acquired on nearly every major process which occurs in the thermosphere, including the recombination rates of all major molecular ions, charge transfer reactions, ion atom interchange reactions, and reactions of neutral and ionized metastable atoms and molecules.

  12. Applications of a job classification system in occupational epidemiology.

    PubMed Central

    Gamble, J F; Spirtas, R; Easter, P

    1976-01-01

    An occupational preventive medicine program attempts to control exposure so workers experience no detrimental effect on health. In a chemically complex industry, the definition of exposure is difficult because of the many different chemicals used and produced, the many different jobs and processes with qualitatively different exposures, and the movement of workers from job to job. Jobs have therefore been grouped on the basis of process or product into functionally homogeneous categories called occupational titles (OT's). Work experience can now be quantified independent of exposure (or by the dominant toxicants in each OT) and compared to health outcomes. Examples are discussed of the application of OT's to studies of the mortality and morbidity experience in the rubber industry, and the development of dose-response relations. PMID:961945

  13. In Situ Fabrication Technologies: Meeting the Challenge for Exploration

    NASA Technical Reports Server (NTRS)

    Howard, Richard W.

    2005-01-01

    A viewgraph presentation on Lunar and Martian in situ fabrication technologies meeting the challenges for exploration is shown. The topics include: 1) Exploration Vision; 2) Vision Requirements Early in the Program; 3) Vision Requirements Today; 4) Why is ISFR Technology Needed? 5) ISFR and In Situ Resource Utilization (ISRU); 6) Fabrication Feedstock Considerations; 7) Planetary Resource Primer; 8) Average Chemical Element Abundances in Lunar Soil; 9) Chemical Elements in Aerospace Engineering Materials; 10) Schematic of Raw Regolith Processing into Constituent Components; 11) Iron, Aluminum, and Basalt Processing from Separated Elements and Compounds; 12) Space Power Systems; 13) Power Source Applicability; 14) Fabrication Systems Technologies; 15) Repair and Nondestructive Evaluation (NDE); and 16) Habitat Structures. A development overview of Lunar and Martian repair and nondestructive evaluation is also presented.

  14. WQEP - a computer spreadsheet program to evaluate water quality data

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liddle, R.G.

    1996-12-31

    A flexible spreadsheet Water Quality Evaluation Program (WQEP) has been developed for mining companies, consultants, and regulators to interpret the results of water quality sampling. In order properly to evaluate hydrologic data, unit conversions and chemical calculations are done, quality control checks are needed, and a complete and up-to-date listing of water quality standards is necessary. This process is time consuming and tends not to be done for every sample. This program speeds the process by allowing the input of up to 115 chemical parameters from one sample. WQEP compares concentrations with EPA primary and secondary drinking water MCLs ormore » MCLG, EPA warmwater and Coldwater acute and chronic aquatic life criteria, irrigation criteria, livestock criteria, EPA human health criteria, and several other categories of criteria. The spreadsheet allows the input of State or local water standards of interest. Water quality checks include: anion/cations, TDS{sub m}/TDS{sub c} (where m=measured and c=calculated), EC{sub m}/EC{sub c}, EC{sub m}/ion sums, TDS{sub c}/EC ratio, TDS{sub m}/EC, EC vs. alkalinity, two hardness values, and EC vs. {Sigma} cations. WQEP computes the dissolved transport index of 23 parameters, computes ratios of 26 species for trend analysis, calculates non-carbonate alkalinity to adjust the bicarbonate concentration, and calculates 35 interpretive formulas (pE, SAR, S.I., unionized ammonia, ionized sulfide HS-, pK{sub x} values, etc.). Fingerprinting is conducted by automatic generation of stiff diagrams and ion histograms. Mass loading calculations, mass balance calculations, conversions of concentrations, ionic strength, and the activity coefficient and chemical activity of 33 parameters is calculated. This program allows a speedy and thorough evaluation of water quality data from metal mines, coal mining, and natural surface water systems and has been tested against hand calculations.« less

  15. Coal Research

    NASA Technical Reports Server (NTRS)

    1986-01-01

    Coal slurries are "clean" pulverized coal mixed with oil or water. Significant fuel savings can be realized when using coal slurries. Advanced Fuels Technology (AFT) utilized a COSMIC program, (Calculation of Complex Chemical Equilibrium Compositions), which provides specific capabilities for determining combustion products. The company has developed a cleaning process that removes much of the mineral sulphur and ash from the coals.

  16. Variation of organic matter quantity and quality in streams at Critical Zone Observatory watersheds

    Treesearch

    Matthew P. Miller; Elizabeth W. Boyer; Diane M. McKnight; Michael G. Brown; Rachel S. Gabor; Carolyn Hunsaker; Lidiia Iavorivska; Shreeram Inamdar; Dale W. Johnson; Louis A. Kaplan; Henry Lin; William H. McDowell; Julia N. Perdrial

    2016-01-01

    The quantity and chemical composition of dissolved organic matter (DOM) in surface waters influence ecosystem processes and anthropogenic use of freshwater. However, despite the importance of understanding spatial and temporal patterns in DOM, measures of DOM quality are not routinely included as part of large-scale ecosystem monitoring programs and variations in...

  17. Investigation of the Physical Processes Governing Large-scale Tracer Transport in the Stratosphere and Troposphere

    NASA Technical Reports Server (NTRS)

    Selkirk, Henry B.

    1996-01-01

    This report reviews the second year of a three-year research program to investigate the physical mechanisms which underlie the transport of trace constituents in the stratosphere- troposphere system. The primary scientific goal of the research is to identify the processes which transport air masses within the lower stratosphere, particularly between the tropics and middle latitudes. The SASS program seeks to understand the impact of the present and future fleets of conventional jet traffic on the upper troposphere and lower stratosphere, while complementary airborne observations under UARP seek to understand the complex interactions of dynamical and chemical processes that affect the ozone layer. The present investigation contributes to the goals of each of these by diagnosing the history of air parcels intercepted by NASA research aircraft in UARP and AEAP campaigns.

  18. A hybrid computer program for rapidly solving flowing or static chemical kinetic problems involving many chemical species

    NASA Technical Reports Server (NTRS)

    Mclain, A. G.; Rao, C. S. R.

    1976-01-01

    A hybrid chemical kinetic computer program was assembled which provides a rapid solution to problems involving flowing or static, chemically reacting, gas mixtures. The computer program uses existing subroutines for problem setup, initialization, and preliminary calculations and incorporates a stiff ordinary differential equation solution technique. A number of check cases were recomputed with the hybrid program and the results were almost identical to those previously obtained. The computational time saving was demonstrated with a propane-oxygen-argon shock tube combustion problem involving 31 chemical species and 64 reactions. Information is presented to enable potential users to prepare an input data deck for the calculation of a problem.

  19. Union Carbide's PECOP cops $500,000 fuel cut

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Crawford, E.

    1979-10-29

    Union Carbide's Plant Energy Cost Optimization Program (POCOP) is saving $500,000 a year at a Taft, Louisiana chemical complex. Day-to-day decisions affecting fuel costs and plant operations are based on a system of computerized data-gathering and processing. Although Carbide's system is not unique, it is more extensive and more comprehensive than the systems used by other chemical companies. The plant has decreased its energy consumption 12% below the 1972 level while increasing production by 30%. The system was initiated in response to the shift from raw materials to energy as the major production cost.

  20. Thermal Skin fabrication technology

    NASA Technical Reports Server (NTRS)

    Milam, T. B.

    1972-01-01

    Advanced fabrication techniques applicable to Thermal Skin structures were investigated, including: (1) chemical machining; (2) braze bonding; (3) diffusion bonding; and (4) electron beam welding. Materials investigated were nickel and nickel alloys. Sample Thermal Skin panels were manufactured using the advanced fabrication techniques studied and were structurally tested. Results of the program included: (1) development of improved chemical machining processes for nickel and several nickel alloys; (2) identification of design geometry limits; (3) identification of diffusion bonding requirements; (4) development of a unique diffusion bonding tool; (5) identification of electron beam welding limits; and (6) identification of structural properties of Thermal Skin material.

  1. Chemical Technology Division annual technical report, 1990

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    1991-05-01

    Highlights of the Chemical Technology (CMT) Division's activities during 1990 are presented. In this period, CMT conducted research and development in the following areas: (1) electrochemical technology, including advanced batteries and fuel cells; (2) technology for coal- fired magnetohydrodynamics and fluidized-bed combustion; (3) methods for recovery of energy from municipal waste and techniques for treatment of hazardous organic waste; (4) the reaction of nuclear waste glass and spent fuel under conditions expected for a high-level waste repository; (5) processes for separating and recovering transuranic elements from nuclear waste streams, concentrating plutonium solids in pyrochemical residues by aqueous biphase extraction, andmore » treating natural and process waters contaminated by volatile organic compounds; (6) recovery processes for discharged fuel and the uranium blanket in the Integral Fast Reactor (IFR); (7) processes for removal of actinides in spent fuel from commercial water-cooled nuclear reactors and burnup in IFRs; and (8) physical chemistry of selected materials in environments simulating those of fission and fusion energy systems. The Division also has a program in basic chemistry research in the areas of fluid catalysis for converting small molecules to desired products; materials chemistry for superconducting oxides and associated and ordered solutions at high temperatures; interfacial processes of importance to corrosion science, high-temperature superconductivity, and catalysis; and the geochemical processes responsible for trace-element migration within the earth's crust. The Analytical Chemistry Laboratory in CMT provides a broad range of analytical chemistry support services to the scientific and engineering programs at Argonne National Laboratory (ANL). 66 refs., 69 figs., 6 tabs.« less

  2. 75 FR 2445 - Chemical Facility Anti-Terrorism Standards

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-01-15

    ... Homeland Security EPA--Environmental Protection Agency RMP--Risk Management Program SSP--Site Security Plan...) under the Clean Air Act's Risk Management Program (RMP) for counting-- or excluding--flammable chemicals... of flammable chemicals in gasoline from the RMP rules was mandated by the Chemical Safety...

  3. Standard Review Risk Assessment on Medium-chain and Long-chain Chlorinated paraffin PMN submissions by Dover Chemical

    EPA Pesticide Factsheets

    This assessment was conducted under EPA’s TSCA Section 5 New Chemicals Program. EPA is assessing Medium-chain Chlorinated Paraffin (MCCP) and Long-Chain Chlorinated Paraffin (LCCP) chemicals as part of its New Chemicals Review program.

  4. The Biological and Chemical Oceanography Data Management Office

    NASA Astrophysics Data System (ADS)

    Allison, M. D.; Chandler, C. L.; Groman, R. C.; Wiebe, P. H.; Glover, D. M.; Gegg, S. R.

    2011-12-01

    Oceanography and marine ecosystem research are inherently interdisciplinary fields of study that generate and require access to a wide variety of measurements. In late 2006 the Biological and Chemical Oceanography Sections of the National Science Foundation (NSF) Geosciences Directorate Division of Ocean Sciences (OCE) funded the Biological and Chemical Oceanography Data Management Office (BCO-DMO). In late 2010 additional funding was contributed to support management of research data from the NSF Office of Polar Programs Antarctic Organisms & Ecosystems Program. The BCO-DMO is recognized in the 2011 Division of Ocean Sciences Sample and Data Policy as one of several program specific data offices that support NSF OCE funded researchers. BCO-DMO staff members offer data management support throughout the project life cycle to investigators from large national programs and medium-sized collaborative research projects, as well as researchers from single investigator awards. The office manages and serves all types of oceanographic data and information generated during the research process and contributed by the originating investigators. BCO-DMO has built a data system that includes the legacy data from several large ocean research programs (e.g. United States Joint Global Ocean Flux Study and United States GLOBal Ocean ECosystems Dynamics), to which data have been contributed from recently granted NSF OCE and OPP awards. The BCO-DMO data system can accommodate many different types of data including: in situ and experimental biological, chemical, and physical measurements; modeling results and synthesis data products. The system enables reuse of oceanographic data for new research endeavors, supports synthesis and modeling activities, provides availability of "real data" for K-12 and college level use, and provides decision-support field data for policy-relevant investigations. We will present an overview of the data management system capabilities including: map-based and text-based data discovery and access systems; recent enhancements to data search tools; data export and download utilities; and strategic use of controlled vocabularies to facilitate data integration and to improve data system interoperability.

  5. Microreactor System Design for a NASA In Situ Propellant Production Plant on Mars

    NASA Technical Reports Server (NTRS)

    TeGrotenhuis, W. E.; Wegeng, R. S.; Vanderwiel, D. P.; Whyatt, G. A.; Viswanathan, V. V.; Schielke, K. P.; Sanders, G. B.; Peters, T. A.; Nicholson, Leonard S. (Technical Monitor)

    2000-01-01

    The NASA In Situ Resource Utilization (ISRU) program is planning near-term missions to Mars that will include chemical processes for converting the carbon dioxide (CO2) and possibly water from the Martian environment to propellants, oxygen, and other useful chemicals. The use of indigenous resources reduces the size and weight of the payloads from Earth significantly, representing enormous cost savings that make human exploration of Mars affordable. Extraterrestrial chemical processing plants will need to be compact, lightweight, highly efficient under reduced gravity, and extraordinarily reliable for long periods. Microchemical and thermal systems represent capability for dramatic reduction in size and weight, while offering high reliability through massive parallelization. In situ propellant production (ISPP), one aspect of the ISRU program, involves collecting and pressurizing atmospheric CO2, conversion reactions, chemical separations, heat exchangers, and cryogenic storage. A preliminary system design of an ISPP plant based on microtechnology has demonstrated significant size, weight, and energy efficiency gains over the current NASA baseline. Energy management is a strong driver for Mars-based processes, not only because energy is a scarce resource, but because heat rejection is problematic; the low pressure environment makes convective heat transfer ineffective. Energy efficiency gains are largely achieved in the microchemical plant through extensive heat recuperation and energy cascading, which has a small size and weight penalty because the added micro heat exchangers are small. This leads to additional size and weight gains by reducing the required area of waste heat radiators. The microtechnology-based ISPP plant is described in detail, including aspects of pinch analysis for optimizing the heat exchanger network. Three options for thermochemical compression Of CO2 from the Martian atmosphere, adsorption, absorption, and cryogenic freezing, are presented, as well as three options for water decomposition, low temperature electrolysis, high temperature electrolysis, and thermochemical decomposition. Other elements of the plant include Sabatier and reverse water gas shift reactors, water recovery, chemical separations, and cryogenic storage. Data are presented supporting preliminary sizing of components, and results of the system design are compared to the existing NASA baseline that is based on conventional technologies.

  6. Detection of Cell Wall Chemical Variation in Zea Mays Mutants Using Near-Infrared Spectroscopy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Buyck, N.; Thomas, S.

    Corn stover is regarded as the prime candidate feedstock material for commercial biomass conversion in the United States. Variations in chemical composition of Zea mays cell walls can affect biomass conversion process yields and economics. Mutant lines were constructed by activating a Mu transposon system. The cell wall chemical composition of 48 mutant families was characterized using near-infrared (NIR) spectroscopy. NIR data were analyzed using a multivariate statistical analysis technique called Principal Component Analysis (PCA). PCA of the NIR data from 349 maize leaf samples reveals 57 individuals as outliers on one or more of six Principal Components (PCs) atmore » the 95% confidence interval. Of these, 19 individuals from 16 families are outliers on either PC3 (9% of the variation) or PC6 (1% of the variation), the two PCs that contain information about cell wall polymers. Those individuals for which altered cell wall chemistry is confirmed with wet chemical analysis will then be subjected to fermentation analysis to determine whether or not biomass conversion process kinetics, yields and/or economics are significantly affected. Those mutants that provide indications for a decrease in process cost will be pursued further to identify the gene(s) responsible for the observed changes in cell wall composition and associated changes in process economics. These genes will eventually be incorporated into maize breeding programs directed at the development of a truly dual use crop.« less

  7. Breathe easy with proper respiratory protection

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bidwell, J.

    1996-05-01

    Evaluating the need for respiratory protection in chemical process industries (CPI) plants and selecting the appropriate respirator involves several steps. The Occupational Safety and Health Administration (OSHA) general industry standard for respiratory protection (29 CFR 1910.134(b)) requires the employer to establish a program to help reduce exposures to occupational contaminants. When feasible, employers must eliminate contaminants by using engineering controls (such as general and local ventilation, enclosure or isolation, or substitution of a less-hazardous process or material). Establishing a respiratory protection program consists of four steps: (1) Identify respiratory hazards and concentrations; (2) Understand the contaminants` effects on workers` health;more » (3) Select appropriate respiratory protection; and (4) Train in proper respirator use and maintenance. Consult applicable state and OSHA requirements to ensure that your program satisfies these steps. Industrial respirator manufacturers can assist with on-site training and fit testing. The paper discusses these four steps, program guidelines, determination of the hazard, and styles of respirators.« less

  8. Department of Defense Joint Chemical and Biological Defense Program 2009 Annual Report to Congress

    DTIC Science & Technology

    2009-03-27

    completion at the ECBC on the Edgewood Area of Aberdeen Proving Ground (APG), MD. The SRF is a collaborative effort, funded by the DoD, DHS, and...Accelerated Manufacture of Pharmaceuticals APB Acquisition Program Baseline APG Aberdeen Proving Ground ARC Annual Report to Congress ASC Active...Critical Reagents Program CUGV Chemical, Biological, Radiological, and Nuclear Unmanned Ground Vehicle CW Chemical Weapons CWA Chemical Warfare Agent CWC

  9. JOWOG 22/2 - Actinide Chemical Technology (July 9-13, 2012)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jackson, Jay M.; Lopez, Jacquelyn C.; Wayne, David M.

    2012-07-05

    The Plutonium Science and Manufacturing Directorate provides world-class, safe, secure, and reliable special nuclear material research, process development, technology demonstration, and manufacturing capabilities that support the nation's defense, energy, and environmental needs. We safely and efficiently process plutonium, uranium, and other actinide materials to meet national program requirements, while expanding the scientific and engineering basis of nuclear weapons-based manufacturing, and while producing the next generation of nuclear engineers and scientists. Actinide Process Chemistry (NCO-2) safely and efficiently processes plutonium and other actinide compounds to meet the nation's nuclear defense program needs. All of our processing activities are done in amore » world class and highly regulated nuclear facility. NCO-2's plutonium processing activities consist of direct oxide reduction, metal chlorination, americium extraction, and electrorefining. In addition, NCO-2 uses hydrochloric and nitric acid dissolutions for both plutonium processing and reduction of hazardous components in the waste streams. Finally, NCO-2 is a key team member in the processing of plutonium oxide from disassembled pits and the subsequent stabilization of plutonium oxide for safe and stable long-term storage.« less

  10. The Lewis Chemical Equilibrium Program with parametric study capability

    NASA Technical Reports Server (NTRS)

    Sevigny, R.

    1981-01-01

    The program was developed to determine chemical equilibrium in complex systems. Using a free energy minimization technique, the program permits calculations such as: chemical equilibrium for assigned thermodynamic states; theoretical rocket performance for both equilibrium and frozen compositions during expansion; incident and reflected shock properties; and Chapman-Jouget detonation properties. It is shown that the same program can handle solid coal in an entrained flow coal gasification problem.

  11. Production and use of metals and oxygen for lunar propulsion

    NASA Technical Reports Server (NTRS)

    Hepp, Aloysius F.; Linne, Diane L.; Landis, Geoffrey A.; Groth, Mary F.; Colvin, James E.

    1991-01-01

    Production, power, and propulsion technologies for using oxygen and metals derived from lunar resources are discussed. The production process is described, and several of the more developed processes are discussed. Power requirements for chemical, thermal, and electrical production methods are compared. The discussion includes potential impact of ongoing power technology programs on lunar production requirements. The performance potential of several possible metal fuels including aluminum, silicon, iron, and titanium are compared. Space propulsion technology in the area of metal/oxygen rocket engines is discussed.

  12. TSAR User’s Manual: A Program for Assessing the Effects of Conventional and Chemical Attacks on Sortie Generation. Volume 1. Program Features, Logic, and Interactions

    DTIC Science & Technology

    1990-09-01

    that work will be done at the point where Task 30000 is specified. The unscheduled on-equipment aircraft tasks are normally grouped together with the...probability events, TSAR groups together those tasks performed by the same work center or shop and selects at most one following each flighL Processing is...remainder capable only of assembling other kinds. Furthermore, the first group of personnel should be specified to be cross-trained to do the work of

  13. Chemical and biological nonproliferation program. FY99 annual report

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    NONE

    2000-03-01

    This document is the first of what will become an annual report documenting the progress made by the Chemical and Biological Nonproliferation Program (CBNP). It is intended to be a summary of the program's activities that will be of interest to both policy and technical audiences. This report and the annual CBNP Summer Review Meeting are important vehicles for communication with the broader chemical and biological defense and nonproliferation communities. The Chemical and Biological Nonproliferation Program Strategic Plan is also available and provides additional detail on the program's context and goals. The body of the report consists of an overviewmore » of the program's philosophy, goals and recent progress in the major program areas. In addition, an appendix is provided with more detailed project summaries that will be of interest to the technical community.« less

  14. NASA's upper atmosphere research satellite: A program to study global ozone change

    NASA Technical Reports Server (NTRS)

    Luther, Michael R.

    1992-01-01

    The Upper Atmosphere Research Satellite (UARS) is a major initiative in the NASA Office of Space Science and Applications, and is the prototype for NASA's Earth Observing System (EOS) planned for launch in the 1990s. The UARS combines a balanced program of experimental and theoretical investigations to perform diagnostic studies, qualitative model analysis, and quantitative measurements and comparative studies of the upper atmosphere. UARS provides theoretical and experimental investigations which pursue four specific research topics: atmospheric energy budget, chemistry, dynamics, and coupling processes. An international cadre of investigators was assembled by NASA to accomplish those scientific objectives. The observatory, its complement of ten state of the art instruments, and the ground system are nearing flight readiness. The timely UARS program will play a major role in providing data to understand the complex physical and chemical processes occurring in the upper atmosphere and answering many questions regarding the health of the ozone layer.

  15. Simplified power processing for ion-thruster subsystems

    NASA Technical Reports Server (NTRS)

    Wessel, F. J.; Hancock, D. J.

    1983-01-01

    Compared to chemical propulsion, ion propulsion offers distinct payload-mass increases for many future low-thrust earth-orbital and deep-space missions. Despite this advantage, the high initial cost and complexity of ion-propulsion subsystems reduce their attractiveness for most present and near-term spacecraft missions. Investigations have, therefore, been conducted with the objective to attempt to simplify the power-processing unit (PPU), which is the single most complex and expensive component in the thruster subsystem. The present investigation is concerned with a program to simplify the design of the PPU employed in a 8-cm mercury-ion-thruster subsystem. In this program a dramatic simplification in the design of the PPU could be achieved, while retaining essential thruster control and subsystem operational flexibility.

  16. Bioelectrochemical Integration of Waste Heat Recovery, Waste-to- Energy Conversion, and Waste-to-Chemical Conversion with Industrial Gas and Chemical Manufacturing Processes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mac Dougall, James

    2016-02-05

    Many U.S. manufacturing facilities generate unrecovered, low-grade waste heat, and also generate or are located near organic-content waste effluents. Bioelectrochemical systems, such as microbial fuel cells and microbial electrolysis cells, provide a means to convert organic-content effluents into electric power and useful chemical products. A novel biochemical electrical system for industrial manufacturing processes uniquely integrates both waste heat recovery and waste effluent conversion, thereby significantly reducing manufacturing energy requirements. This project will enable the further development of this technology so that it can be applied across a wide variety of US manufacturing segments, including the chemical, food, pharmaceutical, refinery, andmore » pulp and paper industries. It is conservatively estimated that adoption of this technology could provide nearly 40 TBtu/yr of energy, or more than 1% of the U.S. total industrial electricity use, while reducing CO 2 emissions by more than 6 million tons per year. Commercialization of this technology will make a significant contribution to DOE’s Industrial Technology Program goals for doubling energy efficiency and providing a more robust and competitive domestic manufacturing base.« less

  17. Global Change: A Biogeochemical Perspective

    NASA Technical Reports Server (NTRS)

    Mcelroy, M.

    1983-01-01

    A research program that is designed to enhance our understanding of the Earth as the support system for life is described. The program change, both natural and anthropogenic, that might affect the habitability of the planet on a time scale roughly equal to that of a human life is studied. On this time scale the atmosphere, biosphere, and upper ocean are treated as a single coupled system. The need for understanding the processes affecting the distribution of essential nutrients--carbon, nitrogen, phosphorous, sulfur, and water--within this coupled system is examined. The importance of subtle interactions among chemical, biological, and physical effects is emphasized. The specific objectives are to define the present state of the planetary life-support system; to ellucidate the underlying physical, chemical, and biological controls; and to provide the body of knowledge required to assess changes that might impact the future habitability of the Earth.

  18. Evaluation of Macroinvertebrate Data Based on Autoecological Information

    NASA Astrophysics Data System (ADS)

    Juhász, I.

    2016-12-01

    Various data (biological, chemical, hydrological and morphological) have been gathered within the frame of the monitoring of the Water Framework Directive from 2007 in Hungary. This data only used a status assessment of certain water bodies in Hungary. The macroinvertebrates indicate many environmental factors well; therefore, they are very useful in detecting changes in the status of an environment. The main aim in this research was to investigate changes in environmental variables and decide how these variables cause big changes in the macroinvertebrate fauna. The macroinvertebrate data was processed using the ASTERICS 4.0.4 program. The program calculated some important metrics (i.e., microhabitat distributions, longitudinal zonation, functional feeding guilds, etc.). These metrics were compared with the chemical and hydrological data. The main conclusion is that if we have enough of a frequency and quality of macroinvertebrate data, we can understand changes in the environment of an ecosystem.

  19. Enzyme-free nucleic acid dynamical systems.

    PubMed

    Srinivas, Niranjan; Parkin, James; Seelig, Georg; Winfree, Erik; Soloveichik, David

    2017-12-15

    Chemistries exhibiting complex dynamics-from inorganic oscillators to gene regulatory networks-have been long known but either cannot be reprogrammed at will or rely on the sophisticated enzyme chemistry underlying the central dogma. Can simpler molecular mechanisms, designed from scratch, exhibit the same range of behaviors? Abstract chemical reaction networks have been proposed as a programming language for complex dynamics, along with their systematic implementation using short synthetic DNA molecules. We developed this technology for dynamical systems by identifying critical design principles and codifying them into a compiler automating the design process. Using this approach, we built an oscillator containing only DNA components, establishing that Watson-Crick base-pairing interactions alone suffice for complex chemical dynamics and that autonomous molecular systems can be designed via molecular programming languages. Copyright © 2017 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

  20. 78 FR 35903 - Information Collection Request Submitted to OMB for Review and Approval; Comment Request; ICR...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-06-14

    ...; Tier 1 Screening of Certain Chemicals Under the Endocrine Disruptor Screening Program AGENCY... Chemicals; Tier 1 Screening of Certain Chemicals Under the Endocrine Disruptor Screening Program (EDSP... effects. The EDSP consists of a two-tiered approach to screen chemicals for potential endocrine disrupting...

  1. Fetal programming and environmental exposures ...

    EPA Pesticide Factsheets

    Fetal programming is an enormously complex process that relies on numerous environmental inputs from uterine tissue, the placenta, the maternal blood supply, and other sources. Recent evidence has made clear that the process is not based entirely on genetics, but rather on a delicate series of interactions between genes and the environment. It is likely that epigenctic (“above the genome”) changes are responsible for modifying gene expression in the developing fetus, and these modifications can have long-lasting health impacts. Determining which epigenetic regulators are most vital in embryonic development will improve pregnancy outcomes and our ability to treat and prevent disorders that emerge later in life. “Fetal Programming and Environmental Exposures: Implications for Prenatal Care and Preterm Birth’ began with a keynote address by Frederick vom Saal, who explained that low-level exposure to endocrine disrupting chemicals (EDCs) perturbs hormone systems in utero and can have negative effects on fetal development. vom Saal presented data on the LOC bisphenol A (BPA), an estrogen-mimicking compound found in many plastics. He suggested that low-dose exposure to LOCs can alter the development process and enhance chances of acquiring adult diseases, such as breastcancer, diabetes, and even developmental disorders such as attention deficit disorder (ADHD).’ Fetal programming is an enormously complex process that relies on numerous environmental inputs

  2. Chemical Weapons Disposal: Improvements Needed in Program Accountability and Financial Management

    DTIC Science & Technology

    2000-05-01

    United States General Accounting Office PAQ Report to Congressional Committees May 2000 CHEMICAL WEAPONS DISPOSAL Improvements Needed in Program...warfare materiel, and former production facilities and identify and locate buried chemical warfare materiel. Alternative Technologies and Approaches...production facilities, and buried chemical warfare materiel. These items are described in table 1. Table 1: Nonstockpile Chemical Materiel Category

  3. User's Guide of TOUGH2-EGS. A Coupled Geomechanical and Reactive Geochemical Simulator for Fluid and Heat Flow in Enhanced Geothermal Systems Version 1.0

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Fakcharoenphol, Perapon; Xiong, Yi; Hu, Litang

    TOUGH2-EGS is a numerical simulation program coupling geomechanics and chemical reactions for fluid and heat flows in porous media and fractured reservoirs of enhanced geothermal systems. The simulator includes the fully-coupled geomechanical (THM) module, the fully-coupled geochemical (THC) module, and the sequentially coupled reactive geochemistry (THMC) module. The fully-coupled flow-geomechanics model is developed from the linear elastic theory for the thermo-poro-elastic system and is formulated with the mean normal stress as well as pore pressure and temperature. The chemical reaction is sequentially coupled after solution of flow equations, which provides the flow velocity and phase saturation for the solute transportmore » calculation at each time step. In addition, reservoir rock properties, such as porosity and permeability, are subjected to change due to rock deformation and chemical reactions. The relationships between rock properties and geomechanical and chemical effects from poro-elasticity theories and empirical correlations are incorporated into the simulator. This report provides the user with detailed information on both mathematical models and instructions for using TOUGH2-EGS for THM, THC or THMC simulations. The mathematical models include the fluid and heat flow equations, geomechanical equation, reactive geochemistry equations, and discretization methods. Although TOUGH2-EGS has the capability for simulating fluid and heat flows coupled with both geomechanical and chemical effects, it is up to the users to select the specific coupling process, such as THM, THC, or THMC in a simulation. There are several example problems illustrating the applications of this program. These example problems are described in details and their input data are presented. The results demonstrate that this program can be used for field-scale geothermal reservoir simulation with fluid and heat flow, geomechanical effect, and chemical reaction in porous and fractured media.« less

  4. Programming chemical kinetics: engineering dynamic reaction networks with DNA strand displacement

    NASA Astrophysics Data System (ADS)

    Srinivas, Niranjan

    Over the last century, the silicon revolution has enabled us to build faster, smaller and more sophisticated computers. Today, these computers control phones, cars, satellites, assembly lines, and other electromechanical devices. Just as electrical wiring controls electromechanical devices, living organisms employ "chemical wiring" to make decisions about their environment and control physical processes. Currently, the big difference between these two substrates is that while we have the abstractions, design principles, verification and fabrication techniques in place for programming with silicon, we have no comparable understanding or expertise for programming chemistry. In this thesis we take a small step towards the goal of learning how to systematically engineer prescribed non-equilibrium dynamical behaviors in chemical systems. We use the formalism of chemical reaction networks (CRNs), combined with mass-action kinetics, as our programming language for specifying dynamical behaviors. Leveraging the tools of nucleic acid nanotechnology (introduced in Chapter 1), we employ synthetic DNA molecules as our molecular architecture and toehold-mediated DNA strand displacement as our reaction primitive. Abstraction, modular design and systematic fabrication can work only with well-understood and quantitatively characterized tools. Therefore, we embark on a detailed study of the "device physics" of DNA strand displacement (Chapter 2). We present a unified view of strand displacement biophysics and kinetics by studying the process at multiple levels of detail, using an intuitive model of a random walk on a 1-dimensional energy landscape, a secondary structure kinetics model with single base-pair steps, and a coarse-grained molecular model that incorporates three-dimensional geometric and steric effects. Further, we experimentally investigate the thermodynamics of three-way branch migration. Our findings are consistent with previously measured or inferred rates for hybridization, fraying, and branch migration, and provide a biophysical explanation of strand displacement kinetics. Our work paves the way for accurate modeling of strand displacement cascades, which would facilitate the simulation and construction of more complex molecular systems. In Chapters 3 and 4, we identify and overcome the crucial experimental challenges involved in using our general DNA-based technology for engineering dynamical behaviors in the test tube. In this process, we identify important design rules that inform our choice of molecular motifs and our algorithms for designing and verifying DNA sequences for our molecular implementation. We also develop flexible molecular strategies for "tuning" our reaction rates and stoichiometries in order to compensate for unavoidable non-idealities in the molecular implementation, such as imperfectly synthesized molecules and spurious "leak" pathways that compete with desired pathways. We successfully implement three distinct autocatalytic reactions, which we then combine into a de novo chemical oscillator. Unlike biological networks, which use sophisticated evolved molecules (like proteins) to realize such behavior, our test tube realization is the first to demonstrate that Watson-Crick base pairing interactions alone suffice for oscillatory dynamics. Since our design pipeline is general and applicable to any CRN, our experimental demonstration of a de novo chemical oscillator could enable the systematic construction of CRNs with other dynamic behaviors.

  5. A Decision Analytic Approach to Exposure-Based Chemical Prioritization

    PubMed Central

    Mitchell, Jade; Pabon, Nicolas; Collier, Zachary A.; Egeghy, Peter P.; Cohen-Hubal, Elaine; Linkov, Igor; Vallero, Daniel A.

    2013-01-01

    The manufacture of novel synthetic chemicals has increased in volume and variety, but often the environmental and health risks are not fully understood in terms of toxicity and, in particular, exposure. While efforts to assess risks have generally been effective when sufficient data are available, the hazard and exposure data necessary to assess risks adequately are unavailable for the vast majority of chemicals in commerce. The US Environmental Protection Agency has initiated the ExpoCast Program to develop tools for rapid chemical evaluation based on potential for exposure. In this context, a model is presented in which chemicals are evaluated based on inherent chemical properties and behaviorally-based usage characteristics over the chemical’s life cycle. These criteria are assessed and integrated within a decision analytic framework, facilitating rapid assessment and prioritization for future targeted testing and systems modeling. A case study outlines the prioritization process using 51 chemicals. The results show a preliminary relative ranking of chemicals based on exposure potential. The strength of this approach is the ability to integrate relevant statistical and mechanistic data with expert judgment, allowing for an initial tier assessment that can further inform targeted testing and risk management strategies. PMID:23940664

  6. Obesity and Metabolic Comorbidities: Environmental Diseases?

    PubMed Central

    Lubrano, Carla; Genovesi, Giuseppe; Specchia, Palma; Costantini, Daniela; Mariani, Stefania; Petrangeli, Elisa; Lenzi, Andrea; Gnessi, Lucio

    2013-01-01

    Obesity and metabolic comorbidities represent increasing health problems. Endocrine disrupting compounds (EDCs) are exogenous agents that change endocrine function and cause adverse health effects. Most EDCs are synthetic chemicals; some are natural food components as phytoestrogens. People are exposed to complex mixtures of chemicals throughout their lives. EDCs impact hormone-dependent metabolic systems and brain function. Laboratory and human studies provide compelling evidence that human chemical contamination can play a role in obesity epidemic. Chemical exposures may increase the risk of obesity by altering the differentiation of adipocytes. EDCs can alter methylation patterns and normal epigenetic programming in cells. Oxidative stress may be induced by many of these chemicals, and accumulating evidence indicates that it plays important roles in the etiology of chronic diseases. The individual sensitivity to chemicals is variable, depending on environment and ability to metabolize hazardous chemicals. A number of genes, especially those representing antioxidant and detoxification pathways, have potential application as biomarkers of risk assessment. The potential health effects of combined exposures make the risk assessment process more complex compared to the assessment of single chemicals. Techniques and methods need to be further developed to fill data gaps and increase the knowledge on harmful exposure combinations. PMID:23577225

  7. Industrial processes influenced by gravity

    NASA Technical Reports Server (NTRS)

    Ostrach, Simon

    1988-01-01

    In considering new directions for low gravity research with particular regard to broadening the number and types of industrial involvements, it is noted that transport phenomena play a vital role in diverse processes in the chemical, pharmaceutical, food, and biotech industries. Relatively little attention has been given to the role of gravity in such processes. Accordingly, numerous industrial processes and phenomena are identified which involve gravity and/or surface tension forces. Phase separations and mixing are examples that will be significantly different in low gravity conditions. A basis is presented for expanding the scope of the low gravity research program and the potential benefits of such research is indicated.

  8. In vitro perturbations of targets in cancer hallmark processes predict rodent chemical carcinogenesis.

    PubMed

    Kleinstreuer, Nicole C; Dix, David J; Houck, Keith A; Kavlock, Robert J; Knudsen, Thomas B; Martin, Matthew T; Paul, Katie B; Reif, David M; Crofton, Kevin M; Hamilton, Kerry; Hunter, Ronald; Shah, Imran; Judson, Richard S

    2013-01-01

    Thousands of untested chemicals in the environment require efficient characterization of carcinogenic potential in humans. A proposed solution is rapid testing of chemicals using in vitro high-throughput screening (HTS) assays for targets in pathways linked to disease processes to build models for priority setting and further testing. We describe a model for predicting rodent carcinogenicity based on HTS data from 292 chemicals tested in 672 assays mapping to 455 genes. All data come from the EPA ToxCast project. The model was trained on a subset of 232 chemicals with in vivo rodent carcinogenicity data in the Toxicity Reference Database (ToxRefDB). Individual HTS assays strongly associated with rodent cancers in ToxRefDB were linked to genes, pathways, and hallmark processes documented to be involved in tumor biology and cancer progression. Rodent liver cancer endpoints were linked to well-documented pathways such as peroxisome proliferator-activated receptor signaling and TP53 and novel targets such as PDE5A and PLAUR. Cancer hallmark genes associated with rodent thyroid tumors were found to be linked to human thyroid tumors and autoimmune thyroid disease. A model was developed in which these genes/pathways function as hypothetical enhancers or promoters of rat thyroid tumors, acting secondary to the key initiating event of thyroid hormone disruption. A simple scoring function was generated to identify chemicals with significant in vitro evidence that was predictive of in vivo carcinogenicity in different rat tissues and organs. This scoring function was applied to an external test set of 33 compounds with carcinogenicity classifications from the EPA's Office of Pesticide Programs and successfully (p = 0.024) differentiated between chemicals classified as "possible"/"probable"/"likely" carcinogens and those designated as "not likely" or with "evidence of noncarcinogenicity." This model represents a chemical carcinogenicity prioritization tool supporting targeted testing and functional validation of cancer pathways.

  9. Report of the oversight assessment of the operational readiness review of the Savannah River Site Defense Waste Processing Facility Cold Chemical Runs

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lee, B.

    1993-03-01

    This report presents the results of an oversight assessment (OA) conducted by the US Department of Energy's (DOE) Office of Environment, Safety and Health (EH) of the operational readiness review (ORR) activities for the Cold Chemical Runs (CCRs) at the Defense Waste Processing Facility (DWPF) located at Savannah River Site (SRS). The EH OA of this facility took place concurrently with an ORR performed by the DOE Office of Environmental Restoration and Waste Management (EM). The EM ORR was conducted from September 28, 1992, through October 9, 1992, although portions of the EM ORR were extended beyond this period. Themore » EH OA evaluated the comprehensiveness and effectiveness of the EM ORR. The EH OA was designed to ascertain whether the EM ORR was thorough and demonstrated sufficient inquisitiveness to verify that the implementation of programs and procedures is adequate to assure the protection of worker safety and health. The EH OA was carried out in accordance with the protocol and procedures of the EH Program for Oversight Assessment of Operational Readiness Evaluations for Startups and Restarts,'' dated September 15, 1992. Based on its OA and verification of the resolution of EH OA findings, the EH OA Team believes that the startup of the CCRs may be safely begun, pending satisfactory completion and verification of the prestart findings identified by the EM ORR. The EH OA was based primarily on an evaluation of the comprehensiveness and effectiveness of the EM ORR and addressed the following areas: industrial safety, industrial hygiene, and respiratory protection; fire protection; and chemical safety. The EH OA conducted independent vertical-slice'' reviews to confirm EM ORR results in the areas of confined-space entry, respiratory protection, fire protection, and chemical safety.« less

  10. FWP executive summaries, Basic Energy Sciences Materials Sciences Programs (SNL/NM)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Samara, G.A.

    1997-05-01

    The BES Materials Sciences Program has the central theme of Scientifically Tailored Materials. The major objective of this program is to combine Sandia`s expertise and capabilities in the areas of solid state sciences, advanced atomic-level diagnostics and materials synthesis and processing science to produce new classes of tailored materials as well as to enhance the properties of existing materials for US energy applications and for critical defense needs. Current core research in this program includes the physics and chemistry of ceramics synthesis and processing, the use of energetic particles for the synthesis and study of materials, tailored surfaces and interfacesmore » for materials applications, chemical vapor deposition sciences, artificially-structured semiconductor materials science, advanced growth techniques for improved semiconductor structures, transport in unconventional solids, atomic-level science of interfacial adhesion, high-temperature superconductors, and the synthesis and processing of nano-size clusters for energy applications. In addition, the program includes the following three smaller efforts initiated in the past two years: (1) Wetting and Flow of Liquid Metals and Amorphous Ceramics at Solid Interfaces, (2) Field-Structured Anisotropic Composites, and (3) Composition-Modulated Semiconductor Structures for Photovoltaic and Optical Technologies. The latter is a joint effort with the National Renewable Energy Laboratory. Separate summaries are given of individual research areas.« less

  11. Understanding current steam sterilization recommendations and guidelines.

    PubMed

    Spry, Cynthia

    2008-10-01

    Processing surgical instruments in preparation for surgery is a complex multistep practice. It is impractical to culture each and every item to determine sterility; therefore, the best assurance of a sterile product is careful execution of every step in the process coupled with an ongoing quality control program. Perioperative staff nurses and managers responsible for instrument processing, whether for a single instrument or multiple sets, must be knowledgeable with regard to cleaning; packaging; cycle selection; and the use of physical, chemical, and biological monitors. Nurses also should be able to resolve issues related to loaner sets, flash sterilization, and extended cycles.

  12. Evaluation of Selected Chemical Processes for Production of Low-cost Silicon, Phase 3

    NASA Technical Reports Server (NTRS)

    Blocher, J. M., Jr.; Browning, M. F.

    1979-01-01

    The construction of the 50 MT Si/year experimental process system development unit was deferred until FY 1980, and the fluidized bed, zinc vaporizer, by-product condenser, and electrolytic cell were combined with auxiliary units, capable of supporting 8-hour batchwise operation, to form the process development unit (PDU), which is scheduled to be in operation by October 1, 1979. The design of the PDU and objectives of its operation are discussed. Experimental program support activities described relate to: (1) a wetted-wall condensor; (2) fluidized-bed modeling; (3) zinc chloride electrolysis; and (4) zinc vaporizer.

  13. An environmentally safe and effective paint removal process for aircraft

    NASA Astrophysics Data System (ADS)

    Kozol, Joseph

    2001-03-01

    To reduce hazardous waste from fleet and depot aircraft paint stripping and to conform to regulations banning toxic chemical paint strippers, the U.S. Naval Air Systems Team (materials division, depots, and head-quarters) teamed with the U.S. Air Force at Warner Robins Air Logistics Center for concept development, characterization, and demonstration of a mature, advanced paint-removal system, the Boeing xenon/flashlamp CO2 (Flashjet®) process. Extensive metallic and composite-materials testing was conducted. This paper describes the development and characterization program leading to authorization of the process for use on fixed-wing navy aircraft.

  14. Chemicals from coal - The Eastman experience. [Anhydride

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Larkins, T.H.

    1986-03-01

    Tennessee Eastman Company is a major producer of chemicals, fibers and plastics. It is located in Kingsport, Tennessee, headquarters for the Eastman Chemicals Division of Eastman Kodak Company. Eastman Companies employ a total of 12,250 people in Kingsport. Other domestic Eastman Chemicals Division plants are located in Texas, South Carolina, Arkansas and New York. The authors began to witness a flow of products from one of the most highly technical and sophisticated chemical processes in operation in the world. The Eastman ''Chemicals-from-Coal'' facility is not a sunfuel plant. To be sure, we are producing syngas from coal, but the syngasmore » is used to produce acetic anhydride. Acetic anhydride is very important to Eastman. This chemical intermediate eventually finds its way into such diverse products as aspirin, cigarette filters, tool handles, and photographic film. It also is used to make other chemical intermediates such as cellulose esters, anhydrides, triacetin, and acetate ester solvents, all of which have a variety of end uses. The chemicals-from-coal project had its inception in the late 1960's when Eastman stepped up its program of energy conservation and began a search for lower cost chemical feedstocks. Our concern started before the national concern caused by a ten-fold increase in petroleum prices during the past decade.« less

  15. 40 CFR 180.661 - Fluopyram; tolerances for residues.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances... Banana 1 1.0 Bean, dry 0.09 Beet, sugar, root 0.04 Cherry 0.60 Grape, wine 2.0 Nut, tree, group 14 0.05 Peanut 0.02 Pistachio 0.05 Potato 0.02 Potato, processed potato waste 0.08 Strawberry 1.5 Watermelon 1.0...

  16. 40 CFR 180.661 - Fluopyram; tolerances for residues.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances... Banana 1 1.0 Bean, dry 0.09 Beet, sugar, root 0.04 Cherry 0.60 Grape, wine 2.0 Nut, tree, group 14 0.05 Peanut 0.02 Pistachio 0.05 Potato 0.02 Potato, processed potato waste 0.08 Strawberry 1.5 Watermelon 1.0...

  17. 40 CFR 180.661 - Fluopyram; tolerances for residues.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances... Banana 1 1.0 Bean, dry 0.09 Beet, sugar, root 0.04 Cherry 0.60 Grape, wine 2.0 Nut, tree, group 14 0.05 Peanut 0.02 Pistachio 0.05 Potato 0.02 Potato, processed potato waste 0.08 Strawberry 1.5 Watermelon 1.0...

  18. MICHIGAN SOIL VAPOR EXTRACTION REMEDIATION (MISER) MODEL: A COMPUTER PROGRAM TO MODEL SOIL VAPORT EXTRACTION AND BIOVENTING OF ORGANIC MATERIALS IN UNSATURATED GEOLO-GICAL MATERIAL (EPA/600/SR-97/099)

    EPA Science Inventory

    Soil vapor extraction (SVE) and bioventing (BV) are proven strategies for remediation of unsaturated zone soils. Mathematical models are powerful tools that can be used to integrate and quantify the interaction of physical, chemical, and biological processes occurring in field sc...

  19. Chemical and Mechanical Characterization of Diamond-Like Carbon Hard Coatings

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Poker, D B; Doughty, C

    1999-12-28

    This CRADA was intended to investigate and optimize the process used by ASTEX-PlasmaQuest for deposition of diamond-like carbon films. Approval for funding was delayed, and an unexpected move of the PlasmaQuest headquarters and research facilities prevented appropriate samples from being prepared before the end of the CRADA. Therefore, No effort was expended under this program.

  20. Fingerprinting of Materials

    NASA Technical Reports Server (NTRS)

    Workman, Gary L

    1992-01-01

    Recent issues emerging in our fiscal and ecological environments have promulgated that federal agencies shall promote activities which respond to the improvement of both. In response to these developments, the National Aeronautics and Space Administration (NASA) has undertaken an innovative approach to improve the control of materials used in all NASA manufacturing activities. In concert with this goal, NASA is requiring that its contractors and their sub-contractors perform a more intensive consolidation of technologies that can provide an accounting of materials, which includes in-coming materials, materials in process, end-products and waste materials. The purpose of this handbook is to provide guidelines to NASA and its contractor personnel for the planning and implementation of chemical fingerprinting programs and to illustrate the chemical and statistical fundamentals needed for successful use of chemical fingerprinting.

  1. DAWN (Design Assistant Workstation) for advanced physical-chemical life support systems

    NASA Technical Reports Server (NTRS)

    Rudokas, Mary R.; Cantwell, Elizabeth R.; Robinson, Peter I.; Shenk, Timothy W.

    1989-01-01

    This paper reports the results of a project supported by the National Aeronautics and Space Administration, Office of Aeronautics and Space Technology (NASA-OAST) under the Advanced Life Support Development Program. It is an initial attempt to integrate artificial intelligence techniques (via expert systems) with conventional quantitative modeling tools for advanced physical-chemical life support systems. The addition of artificial intelligence techniques will assist the designer in the definition and simulation of loosely/well-defined life support processes/problems as well as assist in the capture of design knowledge, both quantitative and qualitative. Expert system and conventional modeling tools are integrated to provide a design workstation that assists the engineer/scientist in creating, evaluating, documenting and optimizing physical-chemical life support systems for short-term and extended duration missions.

  2. NASA RPS Program Overview: A Focus on RPS Users

    NASA Technical Reports Server (NTRS)

    Hamley, John A.; Sutliff, Thomas J.; Sandifer, Carl E., II; Zakrajsek, June F.

    2016-01-01

    The goal of NASA's Radioisotope Power Systems (RPS) Program is to make RPS ready and available to support the exploration of the solar system in environments where the use of conventional solar or chemical power generation is impractical or impossible to meet the needs of the missions. To meet this goal, the RPS Program, working closely with the Department of Energy, performs mission and system studies (such as the recently released Nuclear Power Assessment Study), assesses the readiness of promising technologies to infuse in future generators, assesses the sustainment of key RPS capabilities and knowledge, forecasts and tracks the Programs budgetary needs, and disseminates current information about RPS to the community of potential users. This process has been refined and used to determine the current content of the RPS Programs portfolio. This portfolio currently includes an effort to mature advanced thermoelectric technology for possible integration into an enhanced Multi-Mission Radioisotope Generator (eMMRTG), sustainment and production of the currently deployed MMRTG, and technology investments that could lead to a future Stirling Radioisotope Generator (SRG). This paper describes the program planning processes that have been used, the currently available MMRTG, and one of the potential future systems, the eMMRTG.

  3. Pollution prevention at Air Force Plant {number{underscore}sign}4

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Daniels, E.D.; Brown, C.J.; Strukely, T.

    1999-07-01

    Air Force Plant {number{underscore}sign}4 in Fort Worth, Texas is home to Lockheed Martin Tactical Aircraft Systems (LMTAS). This multi-million square foot facility provides all of the design, fabrication, assembly, and testing capabilities necessary to produce the F-16 fighter and the center fuselage of the F-22 fighter. A large number of chemical products and processes are required to achieve the complex manufacturing goals. Since the early 1980s, a pollution prevention program has been in place at LMTAS to eliminate or minimize the use of hazardous chemicals and processes. The structure involves an interdepartmental teaming arrangement to determine satisfactory alternatives to existingmore » procedures as well as development of environmentally friendly methods for new design. Many of the successes are a result of teaming arrangements between LMTAS and the USAF.« less

  4. Space construction system analysis study: Project systems and missions descriptions

    NASA Technical Reports Server (NTRS)

    1979-01-01

    Three project systems are defined and summarized. The systems are: (1) a Solar Power Satellite (SPS) Development Flight Test Vehicle configured for fabrication and compatible with solar electric propulsion orbit transfer; (2) an Advanced Communications Platform configured for space fabrication and compatible with low thrust chemical orbit transfer propulsion; and (3) the same Platform, configured to be space erectable but still compatible with low thrust chemical orbit transfer propulsion. These project systems are intended to serve as configuration models for use in detailed analyses of space construction techniques and processes. They represent feasible concepts for real projects; real in the sense that they are realistic contenders on the list of candidate missions currently projected for the national space program. Thus, they represent reasonable configurations upon which to base early studies of alternative space construction processes.

  5. GTKDynamo: a PyMOL plug-in for QC/MM hybrid potential simulations

    PubMed Central

    Bachega, José Fernando R.; Timmers, Luís Fernando S.M.; Assirati, Lucas; Bachega, Leonardo R.; Field, Martin J.; Wymore, Troy

    2014-01-01

    Hybrid quantum chemical (QC)/molecular mechanical (MM) potentials are very powerful tools for molecular simulation. They are especially useful for studying processes in condensed phase systems, such as chemical reactions, that involve a relatively localized change in electronic structure and where the surrounding environment contributes to these changes but can be represented with more computationally efficient functional forms. Despite their utility, however, these potentials are not always straightforward to apply since the extent of significant electronic structure changes occurring in the condensed phase process may not be intuitively obvious. To facilitate their use we have developed an open-source graphical plug-in, GTKDynamo, that links the PyMOL visualization program and the pDynamo QC/MM simulation library. This article describes the implementation of GTKDynamo and its capabilities and illustrates its application to QC/MM simulations. PMID:24137667

  6. [Investigation of emergency capacities for occupational hazard accidents in silicon solar cell producing enterprises].

    PubMed

    Yang, D D; Xu, J N; Zhu, B L

    2016-11-20

    Objective: To investigate and analyze the influential factors of occupational hazard acci-dents, emergency facilities and emergency management in Silicon solar cell producing enterprises, then to pro-vide scientific strategies. Methods: The methods of occupationally healthy field investigating, inspecting of ven-tilation effectiveness, setup of emergency program and wearing chemical suit were used. Results: The mainly occupational hazard accidents factors in the process of Silicon solar cell producing included poisoning chemi-cals, high temperature, onizing radiation and some workplaces. The poisoning chemicals included nitric acid, hydrofluoric acid, sulfuric acid, hydrochloric acid, sodium hydroxide, potassium hydroxide, chlorine, phos-phorus oxychloride, phosphorus pentoxide, nitrogen dioxide, ammonia, silane, and so on; the workplaces in-cluded the area of producing battery slides and auxiliary producing area. Among the nine enterprises, gas detec-tors were installed in special gas supplying stations and sites, but the height, location and alarmvalues of gas detectors in six enterprises were not according with standard criteria; emergency shower and eyewash equip-ment were installed in workplaces with strong corrosive chemicals, but the issues of waste water were not solved; ventilation systems were set in the workplaces with ammonia and silane, but not qualified with part lo-cations and parameters in two enterprises; warehouses with materials of acid, alkali, chemical ammonia and phosphorus oxychloride were equipped with positive - pressure air respirator resuscitator and emergency cabi-nets, but with insufficient quantity in seven enterprises and expiration in part of products. The error rate of set-up emergency program and wearing chemical cloth were 30%~100% and 10%~30%, respectively. Among the nine enterprises, there were emergency rescue plans for dangerous chemical accidents, but without profession-al heatstroke and irradiation accident emergency plans, lack of archives of descripting and evaluating for pro-cessing in emergency exercises as well. There were emergency rescue agreements between enterprises and medi-cal institutions which varied in occupational poisoning rescue capacities and were lack of training and exercise regularly. Conclusion: There were a variety of occupational hazard factors in Silicon solar cell producing enter-prises including potential chemical burns, acute poisoning, occupational heatstroke, accident risk of ionizing radiation, and we must strengthen the management of emergency rescue for Silicon solar cell producing enter-prises.

  7. Geothermal reservoir engineering research

    NASA Technical Reports Server (NTRS)

    Ramey, H. J., Jr.; Kruger, P.; Brigham, W. E.; London, A. L.

    1974-01-01

    The Stanford University research program on the study of stimulation and reservoir engineering of geothermal resources commenced as an interdisciplinary program in September, 1972. The broad objectives of this program have been: (1) the development of experimental and computational data to evaluate the optimum performance of fracture-stimulated geothermal reservoirs; (2) the development of a geothermal reservoir model to evaluate important thermophysical, hydrodynamic, and chemical parameters based on fluid-energy-volume balances as part of standard reservoir engineering practice; and (3) the construction of a laboratory model of an explosion-produced chimney to obtain experimental data on the processes of in-place boiling, moving flash fronts, and two-phase flow in porous and fractured hydrothermal reservoirs.

  8. Space environment and lunar surface processes, 2

    NASA Technical Reports Server (NTRS)

    Comstock, G. M.

    1982-01-01

    The top few millimeters of a surface exposed to space represents a physically and chemically active zone with properties different from those of a surface in the environment of a planetary atmosphere. To meet the need or a quantitative synthesis of the various processes contributing to the evolution of surfaces of the Moon, Mercury, the asteroids, and similar bodies, (exposure to solar wind, solar flare particles, galactic cosmic rays, heating from solar radiation, and meteoroid bombardment), the MESS 2 computer program was developed. This program differs from earlier work in that the surface processes are broken down as a function of size scale and treated in three dimensions with good resolution on each scale. The results obtained apply to the development of soil near the surface and is based on lunar conditions. Parameters can be adjusted to describe asteroid regoliths and other space-related bodies.

  9. Analytical solutions for coagulation and condensation kinetics of composite particles

    NASA Astrophysics Data System (ADS)

    Piskunov, Vladimir N.

    2013-04-01

    The processes of composite particles formation consisting of a mixture of different materials are essential for many practical problems: for analysis of the consequences of accidental releases in atmosphere; for simulation of precipitation formation in clouds; for description of multi-phase processes in chemical reactors and industrial facilities. Computer codes developed for numerical simulation of these processes require optimization of computational methods and verification of numerical programs. Kinetic equations of composite particle formation are given in this work in a concise form (impurity integrated). Coagulation, condensation and external sources associated with nucleation are taken into account. Analytical solutions were obtained in a number of model cases. The general laws for fraction redistribution of impurities were defined. The results can be applied to develop numerical algorithms considerably reducing the simulation effort, as well as to verify the numerical programs for calculation of the formation kinetics of composite particles in the problems of practical importance.

  10. Thematic Mapper research in the earth sciences

    NASA Technical Reports Server (NTRS)

    Salomonson, Vincent V.; Stuart, Locke

    1989-01-01

    This paper's studies were initiated under the NASA program for the purpose of conducting the earth sciences research using the Landsat Thematic Mapper. The goals of the program include studies of the factors influencing the growth, health, condition, and distribution of vegetation on the earth; the processes controlling the evolution of the earth's crust; the earth's water budget and the hydrologic processes that operate at local, regional, and global scales; the physical and chemical interaction between different types of surficial materials; and the interaction between the earth's surface and its atmosphere. Twenty-seven domestic and five foreign investigations were initiated in 1985, with the results from most of them already published (one study was terminated due to the delay in the TDRSS). Twelve of the studies addressed hydrology, snow and ice, coastal processes, and near-shore oceanographic phenomena; seven addressed vegetation, soils, or animal habitat; and twelve addressed geologic subjects.

  11. Bench Scale Process for Low Cost CO2 Capture Using a Phase-Changing Absorbent: Topical Report EH&S Risk Assessment

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Westendorf, Tiffany; Farnum, Rachel; Perry, Robert

    2016-05-11

    GE Global Research was contracted by the Department of Energy to design and build a bench-scale process for a novel phase-changing aminosilicone-based CO2 capture solvent (award number DEFE0013687). As part of this program, a technology EH&S assessment (Subtask 5.1) has been completed for a CO2 capture system for a 550 MW coal-fired power plant. The assessment focuses on two chemicals used in the process, the aminosilicone solvent, GAP-0, and dodecylbenzenesulfonic acid (DDBSA), the GAP-0 carbamate formed upon reaction of the GAP-0 with CO2, and two potential byproducts formed in the process, GAP-0/SOx salts and amine-terminated, urea-containing silicone (also referred tomore » as “ureas” in this report). The EH&S assessment identifies and estimates the magnitude of the potential air and water emissions and solid waste generated by the process and reviews the toxicological profiles of the chemicals associated with the process. Details regarding regulatory requirements, engineering controls, and storage and handling procedures are also provided in the following sections.« less

  12. Health Hazard Assessment and Toxicity Clearances in the Army Acquisition Process

    NASA Technical Reports Server (NTRS)

    Macko, Joseph A., Jr.

    2000-01-01

    The United States Army Materiel Command, Army Acquisition Pollution Prevention Support Office (AAPPSO) is responsible for creating and managing the U.S. Army Wide Acquisition Pollution Prevention Program. They have established Integrated Process Teams (IPTs) within each of the Major Subordinate Commands of the Army Materiel Command. AAPPSO provides centralized integration, coordination, and oversight of the Army Acquisition Pollution Prevention Program (AAPPP) , and the IPTs provide the decentralized execution of the AAPPSO program. AAPPSO issues policy and guidance, provides resources and prioritizes P2 efforts. It is the policy of the (AAPPP) to require United States Army Surgeon General approval of all materials or substances that will be used as an alternative to existing hazardous materials, toxic materials and substances, and ozone-depleting substances. The Army has a formal process established to address this effort. Army Regulation 40-10 requires a Health Hazard Assessment (HHA) during the Acquisition milestones of a new Army system. Army Regulation 40-5 addresses the Toxicity Clearance (TC) process to evaluate new chemicals and materials prior to acceptance as an alternative. U.S. Army Center for Health Promotion and Preventive Medicine is the Army's matrixed medical health organization that performs the HHA and TC mission.

  13. Transient state kinetics tutorial using the kinetics simulation program, KINSIM.

    PubMed Central

    Wachsstock, D H; Pollard, T D

    1994-01-01

    This article provides an introduction to a computer tutorial on transient state kinetics. The tutorial uses our Macintosh version of the computer program, KINSIM, that calculates the time course of reactions. KINSIM is also available for other popular computers. This program allows even those investigators not mathematically inclined to evaluate the rate constants for the transitions between the intermediates in any reaction mechanism. These rate constants are one of the insights that are essential for understanding how biochemical processes work at the molecular level. The approach is applicable not only to enzyme reactions but also to any other type of process of interest to biophysicists, cell biologists, and molecular biologists in which concentrations change with time. In principle, the same methods could be used to characterize time-dependent, large-scale processes in ecology and evolution. Completion of the tutorial takes students 6-10 h. This investment is rewarded by a deep understanding of the principles of chemical kinetics and familiarity with the tools of kinetics simulation as an approach to solve everyday problems in the laboratory. PMID:7811941

  14. Reviewing New Chemicals under the Toxic Substances Control Act (TSCA)

    EPA Pesticide Factsheets

    This microsite will provide information on how EPA’s new chemicals review program works, on the assessment tools and policies EPA uses in this program, and on the regulatory outcomes of EPA’s review of new chemicals notifications.

  15. A cure-rate model for the Shuttle filament-wound case

    NASA Technical Reports Server (NTRS)

    Cagliostro, D. E.; Islas, A.; Hsu, Ming-Ta

    1987-01-01

    An epoxy and carbon fiber composite has been used to produce a light-weight rocket case for the Space Shuttle. A kinetic model is developed which can predict the extent of epoxy conversion during the winding and curing of the case. The model accounts for both chemical and physical kinetics. In the model, chemical kinetics occur exclusively up to the time the transition temperature equals the reaction temperature. At this point the resin begins to solidify and the rate of this process limits the rate of epoxy conversion. A comparison of predicted and actual epoxy conversion is presented for isothermal and temperature programmed cure schedules.

  16. Romania program targets methanol and Fischer-Tropsch research

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    1987-03-01

    Currently, the chemical organic industry, the petrochemical and engine fuels industry in Romania are entirely based on hydrocarbons from oil. To reduce the oil dependence of this sector and to ensure the stipulated growth rate of 8-9%, research and development programs have been set up with a view to the diversification of raw materials. In research on hydrocarbons from alcohol conversion, three process variants are known, i.e. olefins from methanol, gasolines from methanol and a combined gasolines and aromatic hydrocarbons from methanol. The Romanian process of methanol conversion to hydrocarbons is very flexible, with all the variants mentioned being carriedmore » out in the same plant by modifying the catalysts. In research on hydrocarbons from synthesis gas a modern process is being developed for gasification of brown coal in a fluidized bed, under pressure, in the presence of oxygen and water vapors. In the field of carbon oxide hydrogenation, studies have been carried out on selective Fischer-Tropsch processes in which the reaction products are high value hydrocarbon fractions.« less

  17. Delivering The Benefits of Chemical-Biological Integration in ...

    EPA Pesticide Factsheets

    Abstract: Researchers at the EPA’s National Center for Computational Toxicology integrate advances in biology, chemistry, and computer science to examine the toxicity of chemicals and help prioritize chemicals for further research based on potential human health risks. The intention of this research program is to quickly evaluate thousands of chemicals for potential risk but with much reduced cost relative to historical approaches. This work involves computational and data driven approaches including high-throughput screening, modeling, text-mining and the integration of chemistry, exposure and biological data. We have developed a number of databases and applications that are delivering on the vision of developing a deeper understanding of chemicals and their effects on exposure and biological processes that are supporting a large community of scientists in their research efforts. This presentation will provide an overview of our work to bring together diverse large scale data from the chemical and biological domains, our approaches to integrate and disseminate these data, and the delivery of models supporting computational toxicology. This abstract does not reflect U.S. EPA policy. Presentation at ACS TOXI session on Computational Chemistry and Toxicology in Chemical Discovery and Assessement (QSARs).

  18. O-Succinyl-L-homoserine-based C4-chemical production: succinic acid, homoserine lactone, γ-butyrolactone, γ-butyrolactone derivatives, and 1,4-butanediol.

    PubMed

    Hong, Kuk-Ki; Kim, Jeong Hyun; Yoon, Jong Hyun; Park, Hye-Min; Choi, Su Jin; Song, Gyu Hyeon; Lee, Jea Chun; Yang, Young-Lyeol; Shin, Hyun Kwan; Kim, Ju Nam; Cho, Kyung Ho; Lee, Jung Ho

    2014-10-01

    There has been a significant global interest to produce bulk chemicals from renewable resources using engineered microorganisms. Large research programs have been launched by academia and industry towards this goal. Particularly, C4 chemicals such as succinic acid (SA) and 1,4-butanediol have been leading the path towards the commercialization of biobased technology with the effort of replacing chemical production. Here we present O-Succinyl-L-homoserine (SH) as a new, potentially important platform biochemical and demonstrate its central role as an intermediate in the production of SA, homoserine lactone (HSL), γ-butyrolactone (GBL) and its derivatives, and 1,4-butanediol (BDO). This technology encompasses (1) the genetic manipulation of Escherichia coli to produce SH with high productivity, (2) hydrolysis into SA and homoserine (HS) or homoserine lactone hydrochloride, and (3) chemical conversion of either HS or homoserine lactone HCL (HSL·HCl) into drop-in chemicals in polymer industry. This production strategy with environmental benefits is discussed in the perspective of targeting of fermented product and a process direction compared to petroleum-based chemical conversion, which may reduce the overall manufacturing cost.

  19. Basic Energy Sciences Program Update

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    None, None

    2016-01-04

    The U.S. Department of Energy’s (DOE) Office of Basic Energy Sciences (BES) supports fundamental research to understand, predict, and ultimately control matter and energy at the electronic, atomic, and molecular levels to provide the foundations for new energy technologies and to support DOE missions in energy, environment, and national security. The research disciplines covered by BES—condensed matter and materials physics, chemistry, geosciences, and aspects of physical biosciences— are those that discover new materials and design new chemical processes. These disciplines touch virtually every aspect of energy resources, production, conversion, transmission, storage, efficiency, and waste mitigation. BES also plans, constructs, andmore » operates world-class scientific user facilities that provide outstanding capabilities for imaging and spectroscopy, characterizing materials of all kinds ranging from hard metals to fragile biological samples, and studying the chemical transformation of matter. These facilities are used to correlate the microscopic structure of materials with their macroscopic properties and to study chemical processes. Such experiments provide critical insights to electronic, atomic, and molecular configurations, often at ultrasmall length and ultrafast time scales.« less

  20. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ali T-Raissi

    The aim of this work was to assess issues of cost, and performance associated with the production and storage of hydrogen via following three feedstocks: sub-quality natural gas (SQNG), ammonia (NH{sub 3}), and water. Three technology areas were considered: (1) Hydrogen production utilizing SQNG resources, (2) Hydrogen storage in ammonia and amine-borane complexes for fuel cell applications, and (3) Hydrogen from solar thermochemical cycles for splitting water. This report summarizes our findings with the following objectives: Technoeconomic analysis of the feasibility of the technology areas 1-3; Evaluation of the hydrogen production cost by technology areas 1; and Feasibility of ammoniamore » and/or amine-borane complexes (technology areas 2) as a means of hydrogen storage on-board fuel cell powered vehicles. For each technology area, we reviewed the open literature with respect to the following criteria: process efficiency, cost, safety, and ease of implementation and impact of the latest materials innovations, if any. We employed various process analysis platforms including FactSage chemical equilibrium software and Aspen Technologies AspenPlus and HYSYS chemical process simulation programs for determining the performance of the prospective hydrogen production processes.« less

  1. 77 FR 74678 - Chemical Security Assessment Tool (CSAT)

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-12-17

    ...), National Protection and Programs Directorate (NPPD), Office of Infrastructure Protection (IP.../IP/ISCD Chemical Facility Anti-Terrorism Standards Program Manager, 245 Murray Lane SW., Mail Stop... should be appropriately marked and submitted by mail to the DHS/NPPD/IP/ISCD Chemical Facility Anti...

  2. Predicting Formation Damage in Aquifer Thermal Energy Storage Systems Utilizing a Coupled Hydraulic-Thermal-Chemical Reservoir Model

    NASA Astrophysics Data System (ADS)

    Müller, Daniel; Regenspurg, Simona; Milsch, Harald; Blöcher, Guido; Kranz, Stefan; Saadat, Ali

    2014-05-01

    In aquifer thermal energy storage (ATES) systems, large amounts of energy can be stored by injecting hot water into deep or intermediate aquifers. In a seasonal production-injection cycle, water is circulated through a system comprising the porous aquifer, a production well, a heat exchanger and an injection well. This process involves large temperature and pressure differences, which shift chemical equilibria and introduce or amplify mechanical processes. Rock-fluid interaction such as dissolution and precipitation or migration and deposition of fine particles will affect the hydraulic properties of the porous medium and may lead to irreversible formation damage. In consequence, these processes determine the long-term performance of the ATES system and need to be predicted to ensure the reliability of the system. However, high temperature and pressure gradients and dynamic feedback cycles pose challenges on predicting the influence of the relevant processes. Within this study, a reservoir model comprising a coupled hydraulic-thermal-chemical simulation was developed based on an ATES demonstration project located in the city of Berlin, Germany. The structural model was created with Petrel, based on data available from seismic cross-sections and wellbores. The reservoir simulation was realized by combining the capabilities of multiple simulation tools. For the reactive transport model, COMSOL Multiphysics (hydraulic-thermal) and PHREEQC (chemical) were combined using the novel interface COMSOL_PHREEQC, developed by Wissmeier & Barry (2011). It provides a MATLAB-based coupling interface between both programs. Compared to using COMSOL's built-in reactive transport simulator, PHREEQC additionally calculates adsorption and reaction kinetics and allows the selection of different activity coefficient models in the database. The presented simulation tool will be able to predict the most important aspects of hydraulic, thermal and chemical transport processes relevant to formation damage in ATES systems. We would like to present preliminary results of the structural reservoir model and the hydraulic-thermal-chemical coupling for the demonstration site. Literature: Wissmeier, L. and Barry, D.A., 2011. Simulation tool for variably saturated flow with comprehensive geochemical reactions in two- and three-dimensional domains. Environmental Modelling & Software 26, 210-218.

  3. A Programmable DNA Double-Write Material: Synergy of Photolithography and Self-Assembly Nanofabrication.

    PubMed

    Song, Youngjun; Takahashi, Tsukasa; Kim, Sejung; Heaney, Yvonne C; Warner, John; Chen, Shaochen; Heller, Michael J

    2017-01-11

    We demonstrate a DNA double-write process that uses UV to pattern a uniquely designed DNA write material, which produces two distinct binding identities for hybridizing two different complementary DNA sequences. The process requires no modification to the DNA by chemical reagents and allows programmed DNA self-assembly and further UV patterning in the UV exposed and nonexposed areas. Multilayered DNA patterning with hybridization of fluorescently labeled complementary DNA sequences, biotin probe/fluorescent streptavidin complexes, and DNA patterns with 500 nm line widths were all demonstrated.

  4. CVD Rhenium Engines for Solar-Thermal Propulsion Systems

    NASA Technical Reports Server (NTRS)

    Williams, Brian E.; Fortini, Arthur J.; Tuffias, Robert H.; Duffy, Andrew J.; Tucker, Stephen P.

    1999-01-01

    Solar-thermal upper-stage propulsion systems have the potential to provide specific impulse approaching 900 seconds, with 760 seconds already demonstrated in ground testing. Such performance levels offer a 100% increase in payload capability compared to state-of-the-art chemical upper-stage systems, at lower cost. Although alternatives such as electric propulsion offer even greater performance, the 6- to 18- month orbital transfer time is a far greater deviation from the state of the art than the one to two months required for solar propulsion. Rhenium metal is the only material that is capable of withstanding the predicted thermal, mechanical, and chemical environment of a solar-thermal propulsion device. Chemical vapor deposition (CVD) is the most well-established and cost-effective process for the fabrication of complex rhenium structures. CVD rhenium engines have been successfully constructed for the Air Force ISUS program (bimodal thrust/electricity) and the NASA Shooting Star program (thrust only), as well as under an Air Force SBIR project (thrust only). The bimodal engine represents a more long-term and versatile approach to solar-thermal propulsion, while the thrust-only engines provide a potentially lower weight/lower cost and more near-term replacement for current upper-stage propulsion systems.

  5. An Operational Safety and Health Program.

    ERIC Educational Resources Information Center

    Uhorchak, Robert E.

    1983-01-01

    Describes safety/health program activities at Research Triangle Institute (North Carolina). These include: radioisotope/radiation and hazardous chemical/carcinogen use, training, monitoring, disposal; chemical waste management; air monitoring and analysis; medical program; fire safety/training, including emergency planning; Occupational Safety and…

  6. BSPS Program (ESI-Mass Spectrometry) Biological Sample Data Analysis; Disruption of Bacteria Spores

    DTIC Science & Technology

    2005-10-01

    the original usage of the translational as a broad description of the entire process by which the polymer of the three-letter code in the mRNA is...translated. There is extensive review of post transnational modifications of proteins by Finn Wold(1981)24, given as in vivo chemical modifications... thiolation , biotin, bromination, carbamylation, deamidation, methylation, glu- cosylation, lipoyl, phosphorylation,, pyridoxal phosphate

  7. 10th Annual Small Business Conference

    DTIC Science & Technology

    2006-11-02

    has extensive process knowledge in military, space and commercial. Steve worked many corporate initiatives, and led a leveraging group that made a...2001, Mr. Loehrl served as Chief of the Chemical Demilitarization program, a $ 12 billion mission that was new to the Command. His - 1 - - 1... Trivia Question Apple Trivia Question Focus Right Product Right Time Right Place Right Price Rapid Fielding Initiative Equipment Items Fielded to All

  8. 2.75-Inch Motor Manufacturing Waste Minimization Project

    DTIC Science & Technology

    2006-06-19

    Certification Program FEM Finite element model HFMI Highly Filled Materials Institute HOE Heat of explosion ICT Institute of Chemical Technology IHDIV...Trinitrotoluene TOW Tube-launched, optically tracked, wire-guided missile TPE Thermoplastic elastomers TSE Twin screw mixer/extruder VPDES Virginia Pollution...extruded and test fired. 1996–1997 Inert TPE Processing: Thermoplastic elastomers (TPE) are ideal binders for “green energetics” because they do

  9. Chemical Recycling of HCN in Cometary Comae

    NASA Astrophysics Data System (ADS)

    Boice, Daniel C.; Kawakita, Hideyo; Shinnaka, Yoshiharu; Mumma, Michael J.; Kobayashi, Hitomi; Ogawa, Sayuri

    2014-11-01

    Modeling is essential to understand the important physical and chemical processes that occur in cometary comae, especially the relationship between putative parent and daughter molecules, such as, HCN and CN. Photochemistry is a major source of ions and electrons that further initiate key gas-phase reactions, contributing to the plethora of molecules and atoms observed in comets. The effects of photoelectrons that interact via impacts are important to the overall excitation and dissociation processes in the inner coma. We consider the relevant processes in the collision-dominated, inner coma of a comet within a global modeling framework to understand observations of HCN and CN. The CN source(s) must be able to produce highly collimated jets, be consistent with the observed CN parent scale length, and have a production rate consistent with the observed CN production. HCN fulfills these conditions in some comets (e.g., 1P/Halley, Hale-Bopp) while it does not in others (e.g., 8P/Tuttle, 6P/d’Arrest, 73P/S-W3, 2P/Encke, 9P/Temple 1 and C/2007 W1).We investigate the chemistry of HCN with our chemical kinetics coma model including a network with other possible CN parents, as well as a dust component that may be a potential source of CN. It is seen that the major destruction pathways of HCN are via photo dissociation (into H and CN) and protonation with water group ions - primarily H3O+. We point out the intriguing “recycling” of HCN via protonation reactions with H3O+, H2O+, OH+, and subsequent dissociative recombination. It seems that HCN molecules observed in the coma can consist of those initially released from the nucleus and those that are freshly formed at different locations in the coma via these protonation/dissociation reactions. We will investigate implications for reconciling discrepancies between observations of HCN and CN in cometary comae.Acknowledgements: We appreciate support from the NSF Planetary Astronomy Program. This program is partially supported by the MEXT Supported Program for the Strategic Research Foundation at Private Universities, 2014-2018.

  10. Standard Review Risk Assessment on Medium-chain and Long-chain Chlorinated paraffin PMN submissions by Qualice, LLC

    EPA Pesticide Factsheets

    This assessment was conducted under EPA’s TSCA Section 5 New Chemicals Program. EPA is assessing Medium-chain Chlorinated Paraffin (MCCP) and Long-Chain Chlorinated Paraffin (LCCP) chemicals as part of its New Chemicals Review program.

  11. EPA'S TOXCAST PROGRAM FOR PREDICTING TOXICITY AND PRIORITIZING ENVIRONMENTAL CHEMICALS

    EPA Science Inventory

    ToxCast is a research program to predict or forecast toxicity by evaluating a broad spectrum of chemicals and effects; physical-chemical properties, predicted bioactivities, HTS and cell-based assays, and genomics. Data will be interpretively linked to known or predicted toxicol...

  12. The Combined Release and Radiation Effects Satellite (CRRES) program: A unique series of scientific experiments

    NASA Technical Reports Server (NTRS)

    Reasoner, David L.; Mccook, Morgan W. (Editor); Vaughan, William W. (Editor)

    1990-01-01

    The Defense Department and NASA have joined in a program to study the space environment which surrounds the earth and the effects of space radiation on modern satellite electronic systems. The Combined Release and Radiation Effects Satellite (CRRES) will carry an array of active experiments including chemical releases and a complement of sophisticated scientific instruments to accomplish these objectives. Other chemical release active experiments will be performed with sub-orbital rocket probes. The chemical releases will 'paint' the magnetic and electric fields of earthspace with clouds of glowing ions. Earthspace will be a laboratory, and the releases will be studied with an extensive network of ground-, aircraft-, and satellite-based diagnostic instruments. Some of the topics discussed include the following: the effects of earthspace; the need for active experiments; types of chemical releases; the CRRES program schedule; international support and coordinated studies; photographing chemical releases; information on locating chemical releases for observation by the amateur; and CRRES as a program.

  13. The Combined Release and Radiation Effects Satellite (CRRES) program: A unique series of scientific experiments

    NASA Astrophysics Data System (ADS)

    Reasoner, David L.; McCook, Morgan W.; Vaughan, William W.

    The Defense Department and NASA have joined in a program to study the space environment which surrounds the earth and the effects of space radiation on modern satellite electronic systems. The Combined Release and Radiation Effects Satellite (CRRES) will carry an array of active experiments including chemical releases and a complement of sophisticated scientific instruments to accomplish these objectives. Other chemical release active experiments will be performed with sub-orbital rocket probes. The chemical releases will 'paint' the magnetic and electric fields of earthspace with clouds of glowing ions. Earthspace will be a laboratory, and the releases will be studied with an extensive network of ground-, aircraft-, and satellite-based diagnostic instruments. Some of the topics discussed include the following: the effects of earthspace; the need for active experiments; types of chemical releases; the CRRES program schedule; international support and coordinated studies; photographing chemical releases; information on locating chemical releases for observation by the amateur; and CRRES as a program.

  14. Computer program determines chemical equilibria in complex systems

    NASA Technical Reports Server (NTRS)

    Gordon, S.; Zeleznik, F. J.

    1966-01-01

    Computer program numerically solves nonlinear algebraic equations for chemical equilibrium based on iteration equations independent of choice of components. This program calculates theoretical performance for frozen and equilibrium composition during expansion and Chapman-Jouguet flame properties, studies combustion, and designs hardware.

  15. Chemical Dynamics of nano-Aluminum and Iodine Based Oxidizers

    NASA Astrophysics Data System (ADS)

    Little, Brian; Ridge, Claron; Overdeep, Kyle; Slizewski, Dylan; Lindsay, Michael

    2017-06-01

    As observed in previous studies of nanoenergetic powder composites, micro/nano-structural features such as particle morphology and/or reactant spatial distance are expected to strongly influence properties that govern the combustion behavior of energetic materials (EM). In this study, highly reactive composites containing crystalline iodine (V) oxide or iodate salts with nano-sized aluminum (nAl) were blended by two different processing techniques and then collected as a powder for characterization. Physiochemical techniques such as thermal gravimetric analysis, calorimetry, X-ray diffraction, electron microscopy, high speed photography, pressure profile analysis, temperature programmed reactions, and spectroscopy were employed to characterize these EM with emphasis on correlating the chemical reactivity with inherent structural features and variations in stoichiometry. This work is a continuation of efforts to probe the chemical dynamics of nAl-iodine based composites.

  16. Investigations into Improving Dewaterability at a Bio-P/Anaerobic Digestion Plant.

    PubMed

    Alm, Rebecca; Sealock, Adam W; Nollet, Yabing; Sprouse, George

    2016-11-01

      Metropolitan Council Environmental Services has observed poorer than expected dewatering performance at its Empire Plant. This plant has both anaerobic digestion and enhanced biological phosphorus removal in its treatment train. A research program using pilot-scale anaerobic digesters investigated potential solutions to the plant's poor dewaterability. The dewaterability goal was to increase the cake solids from 12% total solids (TS) to 16% TS or higher. This research investigated 20 different reactor conditions including chemical, feed sludge, and digested sludge treatments. At the pilot scale, unaerated storage of waste activated sludge prior to thickening and addition of ferric chloride to digestion was found to achieve dewatered cake solids of nearly 17% TS with the added benefit of reducing polymer demand. Issues including the amount of chemical required and the resulting volatile solids destruction influence the viability of the process change, so a full-scale pilot and financial analysis is recommended before making permanent process changes.

  17. Sleepers River, Vermont: a Water, Energy, and Biogeochemical Budgets Program site

    USGS Publications Warehouse

    Shanley, James B.

    2000-01-01

    The Sleepers River Research Watershed in northeastern Vermont was established by the Agricultural Research Service (ARS) of the U.S. Department of Agriculture in 1959 and is now operated jointly by the U.S. Geological Survey (USGS) and the U.S. Army Cold Regions Research and Engineering Laboratory (CRREL), will collaboration from several other Federal Agencies and Universities. The USGS has contributed to the understanding of hydrological processes and added a major biogeochemical cycling research component in the last 10 years of Sleepers River's 40-year history as a field laboratory. The USGS uses hydrologic measurements and chemical and isotopic tracing techniques to determine how water moves from the hillslope to the stream, and what processes cause chemical changes, such as neutralization of acid rain. Research results provide insights on how pollutants move through ecosystems, and how ecosystems may respond to climatic change.

  18. Prioritizing Environmental Chemicals for Obesity and Diabetes ...

    EPA Pesticide Factsheets

    Background: Diabetes and obesity are major threats to public health in the US and abroad. Understanding the role chemicals in our environment play in the development of these conditions is an emerging issue in environmental health, although identifying and prioritizing chemicals for testing beyond those already implicated in the literature is a challenge. This review is intended to help researchers generate hypotheses about chemicals potentially contributing to diabetes and obesity-related health outcomes by summarizing relevant findings from the US Environmental Protection Agency (EPA) ToxCast high-throughput screening (HTS) program. Objectives: To develop new hypotheses around environmental chemicals of potential interest for diabetes- or obesity-related outcomes using high throughput screening data. Methods: Identify ToxCast assay targets relevant to several biological processes related to diabetes and obesity (insulin sensitivity in peripheral tissue, pancreatic islet and beta cell function, adipocyte dierentiation, and feeding behavior) and present chemical screening data against those assay targets to identify chemicals of potential interest. Discussion: Results of this screening-level analysis suggest that the spectrum of environmental chemicals to consider in research related to diabetes and obesity is much broader than indicated from research papers and reviews published in the peer-reviewed literature. Testing of hypotheses based on ToxCast data will a

  19. Research & Development of Materials/Processing Methods for Continuous Fiber Ceramic Composites (CFCC) Phase 2 Final Report.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Szweda, A.

    2001-01-01

    The Department of Energy's Continuous Fiber Ceramic Composites (CFCC) Initiative that begun in 1992 has led the way for Industry, Academia, and Government to carry out a 10 year R&D plan to develop CFCCs for these industrial applications. In Phase II of this program, Dow Corning has led a team of OEM's, composite fabricators, and Government Laboratories to develop polymer derived CFCC materials and processes for selected industrial applications. During this phase, Dow Corning carried extensive process development and representative component demonstration activities on gas turbine components, chemical pump components and heat treatment furnace components.

  20. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Randolph, B.

    Composite liners have been fabricated for the Los Alamos liner driven HEDP experiments using impactors formed by physical vapor deposition (PVD), electroplating, machining and shrink fitting. Chemical vapor deposition (CVD) has been proposed for some ATLAS liner applications. This paper describes the processes used to fabricate machined and shrink fitted impactors which have been used for copper impactors in 1100 aluminum liners and 6061 T-6 aluminum impactors in 1100 aluminum liners. The most successful processes have been largely empirically developed and rely upon a combination of shrink fitted and light press fitting. The processes used to date will be describedmore » along with some considerations for future composite liners requirements in the HEDP Program.« less

  1. Tribology symposium 1995. PD-Volume 72

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Masudi, H.

    After the keynote presentation by Professor Aaron Cohen of Texas A and M University, entitled Processes Used in Design, the program is divided into five major sessions: Research and Development -- Recent research and development of tribological components; Tribology in Manufacturing -- The impact of tribology on modern manufacturing; Design/Design Representation -- Aspects of design related to tribological systems; Tribo-Chemistry/Tribo-Physics -- Discussion of chemical and physical behavior of substances as related to tribology; and Failure Analysis -- An analysis of failure, failure detection, and failure monitoring as related to manufacturing processes. Papers have been processed separately for inclusion on themore » data base.« less

  2. New Chemicals Program Review of Alternatives for PFOA and Related Chemicals

    EPA Pesticide Factsheets

    In 2006, EPA and the eight major companies in the industry launched the 2010/15 PFOA Stewardship Program, in which companies committed to reduce global facility emissions and product content of PFOA and related chemicals by 95 percent by 2010, and to work

  3. Standard Review Risk Assessment on Medium-chain and Long-chain Chlorinated paraffin PMN submissions by INEOS Chlor Americas

    EPA Pesticide Factsheets

    This assessment was conducted under EPA’s TSCA Section 5 New Chemicals Program. EPA is assessing Medium-chain Chlorinated Paraffin (MCCP) and Long-Chain Chlorinated Paraffin (LCCP) chemicals as part of its New Chemicals Review program.

  4. The ToxCast Chemical Prioritization Program at the US EPA (UCLA Molecular Toxicology Program)

    EPA Science Inventory

    To meet the needs of chemical regulators reviewing large numbers of data-poor chemicals for safety, the EPA's National Center for Computational Toxicology is developing a means of efficiently testing thousands of compounds for potential toxicity. High-throughput bioactivity profi...

  5. NASA's Radioisotope Power Systems Planning and Potential Future Systems Overview

    NASA Technical Reports Server (NTRS)

    Zakrajsek, June F.; Woerner, Dave F.; Cairns-Gallimore, Dirk; Johnson, Stephen G.; Qualls, Louis

    2016-01-01

    The goal of NASA's Radioisotope Power Systems (RPS) Program is to make RPS ready and available to support the exploration of the solar system in environments where the use of conventional solar or chemical power generation is impractical or impossible to meet the needs of the missions. To meet this goal, the RPS Program, working closely with the Department of Energy, performs mission and system studies (such as the recently released Nuclear Power Assessment Study), assesses the readiness of promising technologies to infuse in future generators, assesses the sustainment of key RPS capabilities and knowledge, forecasts and tracks the Program's budgetary needs, and disseminates current information about RPS to the community of potential users. This process has been refined and used to determine the current content of the RPS Program's portfolio. This portfolio currently includes an effort to mature advanced thermoelectric technology for possible integration into an enhanced Multi-Mission Radioisotope Generator (eMMRTG), sustainment and production of the currently deployed MMRTG, and technology investments that could lead to a future Stirling Radioisotope Generator (SRG). This paper describes the program planning processes that have been used, the currently available MMRTG, and one of the potential future systems, the eMMRTG.

  6. NASA's Radioisotope Power Systems Planning and Potential Future Systems Overview

    NASA Technical Reports Server (NTRS)

    Zakrajsek, June F.; Woerner, Dave F.; Cairns-Gallimore, Dirk; Johnson, Stephen G.; Qualis, Louis

    2016-01-01

    The goal of NASA's Radioisotope Power Systems (RPS) Program is to make RPS ready and available to support the exploration of the solar system in environments where the use of conventional solar or chemical power generation is impractical or impossible to meet the needs of the missions. To meet this goal, the RPS Program, working closely with the Department of Energy, performs mission and system studies (such as the recently released Nuclear Power Assessment Study), assesses the readiness of promising technologies to infuse in future generators, assesses the sustainment of key RPS capabilities and knowledge, forecasts and tracks the Programs budgetary needs, and disseminates current information about RPS to the community of potential users. This process has been refined and used to determine the current content of the RPS Programs portfolio. This portfolio currently includes an effort to mature advanced thermoelectric technology for possible integration into an enhanced Multi-Mission Radioisotope Generator (eMMRTG), sustainment and production of the currently deployed MMRTG, and technology investments that could lead to a future Stirling Radioisotope Generator (SRG). This paper describes the program planning processes that have been used, the currently available MMRTG, and one of the potential future systems, the eMMRTG.

  7. The Caltech Concurrent Computation Program - Project description

    NASA Technical Reports Server (NTRS)

    Fox, G.; Otto, S.; Lyzenga, G.; Rogstad, D.

    1985-01-01

    The Caltech Concurrent Computation Program wwhich studies basic issues in computational science is described. The research builds on initial work where novel concurrent hardware, the necessary systems software to use it and twenty significant scientific implementations running on the initial 32, 64, and 128 node hypercube machines have been constructed. A major goal of the program will be to extend this work into new disciplines and more complex algorithms including general packages that decompose arbitrary problems in major application areas. New high-performance concurrent processors with up to 1024-nodes, over a gigabyte of memory and multigigaflop performance are being constructed. The implementations cover a wide range of problems in areas such as high energy and astrophysics, condensed matter, chemical reactions, plasma physics, applied mathematics, geophysics, simulation, CAD for VLSI, graphics and image processing. The products of the research program include the concurrent algorithms, hardware, systems software, and complete program implementations.

  8. Radioisotope Power Systems Program Status and Expectations

    NASA Technical Reports Server (NTRS)

    Zakrajsek, June F.; Hamley, John A.; Sutliff, Thomas J.; Mccallum, Peter W.; Sandifer, Carl E.

    2017-01-01

    The Radioisotope Power Systems (RPS) Programs goal is to make RPS available for the exploration of the solar system in environments where conventional solar or chemical power generation is impractical or impossible to use to meet mission needs. To meet this goal, the RPS Program manages investments in RPS system development and RPS technologies. The RPS Program exists to support NASA's Science Mission Directorate (SMD). The RPS Program provides strategic leadership for RPS, enables the availability of RPS for use by the planetary science community, successfully executes RPS flight projects and mission deployments, maintains a robust technology development portfolio, manages RPS related National Environmental Policy Act (NEPA) and Nuclear Launch Safety (NLS) approval processes for SMD, maintains insight into the Department of Energy (DOE) implementation of NASA funded RPS production infrastructure operations, including implementation of the NASA funded Plutonium-238 production restart efforts. This paper will provide a status of recent RPS activities.

  9. Dockres: a computer program that analyzes the output of virtual screening of small molecules

    PubMed Central

    2010-01-01

    Background This paper describes a computer program named Dockres that is designed to analyze and summarize results of virtual screening of small molecules. The program is supplemented with utilities that support the screening process. Foremost among these utilities are scripts that run the virtual screening of a chemical library on a large number of processors in parallel. Methods Dockres and some of its supporting utilities are written Fortran-77; other utilities are written as C-shell scripts. They support the parallel execution of the screening. The current implementation of the program handles virtual screening with Autodock-3 and Autodock-4, but can be extended to work with the output of other programs. Results Analysis of virtual screening by Dockres led to both active and selective lead compounds. Conclusions Analysis of virtual screening was facilitated and enhanced by Dockres in both the authors' laboratories as well as laboratories elsewhere. PMID:20205801

  10. Fact Sheet: 2010/2015 PFOA Stewardship Program

    EPA Pesticide Factsheets

    EPA's existing chemicals programs address pollution prevention, risk assessment, hazard and exposure assessment and/or characterization, and risk management for chemicals substances in commercial use.

  11. The French human biomonitoring program: First lessons from the perinatal component and future needs.

    PubMed

    Dereumeaux, Clémentine; Fillol, Clémence; Charles, Marie-Aline; Denys, Sébastien

    2017-03-01

    This paper presents a progress report of the French human biomonitoring (HBM) program established in 2010. This program has been designed to provide a national representative estimation of the French population's exposure to various environmental chemicals and to study the determinants of exposure. This program currently consists in two surveys: a perinatal component related to a selection of 4145 pregnant women who have been enrolled in the Elfe cohort (the French Longitudinal Study since Childhood) in 2011, and a general population survey related to adults aged 18-74 years and children as from 6 years (Esteban). The aim of this manuscript is to present highlights of the French human biomonitoring program with particular focus on the prioritization of biomarkers to be analyzed in the program and the selection of biomarkers applied to both program components. The Delphi method was used to establish a consensual list of prioritized biomarkers in 2011. First results of the perinatal component of the French HBM program have shown that the biomarkers prioritized were relevant, as almost all pregnant women were exposed to them. However, for some biomarkers, levels' decreases have been observed which may partly be explained by measures taken to prohibit some of these chemicals (e.g. atrazine) and by industrial processes evolutions leading to the substitution of others (e.g. bisphenol A, di-2-ethylhexyl phthalate/DEHP, dialkyl phosphates). Therefore, the list of biomarkers to be monitored in the French HBM program has been implemented to include some substitutes of biomarkers prioritized in the first instance (e.g. bisphenol S, F). Finally, this method combines rigor and flexibility and helped us to build a prioritized list that will be shared and supported by many if not all actors. Copyright © 2016 Elsevier GmbH. All rights reserved.

  12. Developing Mentors: Adult participation, practices, and learning in an out-of-school time STEM program

    NASA Astrophysics Data System (ADS)

    Scipio, Deana Aeolani

    This dissertation examines learning within an out-of-school time (OST) Science, Technology, Engineering, and Mathematics (STEM) broadening participation program. The dissertation includes an introduction, three empirical chapters (written as individual articles), and a conclusion. The dissertation context is a chemical oceanography OST program for middle school students called Project COOL---Chemical Oceanography Outside the Lab. The program was a collaboration between middle school OST programming, a learning sciences research laboratory, and a chemical oceanography laboratory. Both labs were located at a research-based university in the Pacific Northwest of the United States. Participants include 34 youth, 12 undergraduates, and five professional scientists. The dissertation data corpus includes six years of ethnographic field notes across three field sites, 400 hours of video and audio recordings, 40 hours of semi-structured interviews, and more than 100 participant generated artifacts. Analysis methods include comparative case analysis, cognitive mapping, semiotic cluster analysis, video interaction analysis, and discourse analysis. The first empirical article focuses on synthesizing productive programmatic features from four years of design-based research.. The second article is a comparative case study of three STEM mentors from non-dominant communities in the 2011 COOL OST Program. The third article is a comparative case study of undergraduates learning to be mentors in the 2014 COOL OST Program. Findings introduce Deep Hanging as a theory of learning in practice. Deep Hanging entails authentic tasks in rich contexts, providing access, capitalizing on opportunity, and building interpersonal relationships. Taken together, these three chapters illuminate the process of designing a rich OST learning environment and the kinds of learning in practice that occurred for adult learners learning to be mentors through their participation in the COOL OST program. In the conclusion, I offer a set of design principles for mentor learning gleaned from empirical findings from the last two empirical chapters on how mentors can productively support the science learning of youth. The findings from this dissertation offer implications for designers of learning environments seeking to leverage experts for mentoring while engaging youth in contemporary science practices in order to broaden participation for youth and adult participants from non-dominant communities in STEM disciplines.

  13. PROGRAM FOR THE IDENTIFICATION AND REPLACEMENT OF ENDOCRINE DISRUPTING CHEMICALS

    EPA Science Inventory

    A computer software program is being developed to aid in the identification and replacement of endocrine disrupting chemicals (EDC). This program will be comprised of two distinct areas of research: identification of potential EDC nd suggstions for replacing those potential EDC. ...

  14. Microgravity: A New Tool for Basic and Applied Research in Space

    NASA Technical Reports Server (NTRS)

    1985-01-01

    This brochure highlights selected aspects of the NASA Microgravity Science and Applications program. So that we can expand our understanding and control of physical processes, this program supports basic and applied research in electronic materials, metals, glasses and ceramics, biological materials, combustion and fluids and chemicals. NASA facilities that provide weightless environments on the ground, in the air, and in space are available to U.S. and foreign investigators representing the academic and industrial communities. After a brief history of microgravity research, the text explains the advantages and methods of performing microgravity research. Illustrations follow of equipment used and experiments preformed aboard the Shuttle and of prospects for future research. The brochure concludes be describing the program goals and the opportunities for participation.

  15. The Coastal Ocean Prediction Systems program: Understanding and managing our coastal ocean

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Eden, H.F.; Mooers, C.N.K.

    1990-06-01

    The goal of COPS is to couple a program of regular observations to numerical models, through techniques of data assimilation, in order to provide a predictive capability for the US coastal ocean including the Great Lakes, estuaries, and the entire Exclusive Economic Zone (EEZ). The objectives of the program include: determining the predictability of the coastal ocean and the processes that govern the predictability; developing efficient prediction systems for the coastal ocean based on the assimilation of real-time observations into numerical models; and coupling the predictive systems for the physical behavior of the coastal ocean to predictive systems for biological,more » chemical, and geological processes to achieve an interdisciplinary capability. COPS will provide the basis for effective monitoring and prediction of coastal ocean conditions by optimizing the use of increased scientific understanding, improved observations, advanced computer models, and computer graphics to make the best possible estimates of sea level, currents, temperatures, salinities, and other properties of entire coastal regions.« less

  16. Environmental research program. 1995 Annual report

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Brown, N.J.

    1996-06-01

    The objective of the Environmental Research Program is to enhance the understanding of, and mitigate the effects of pollutants on health, ecological systems, global and regional climate, and air quality. The program is multidisciplinary and includes fundamental research and development in efficient and environmentally benign combustion, pollutant abatement and destruction, and novel methods of detection and analysis of criteria and noncriteria pollutants. This diverse group conducts investigations in combustion, atmospheric and marine processes, flue-gas chemistry, and ecological systems. Combustion chemistry research emphasizes modeling at microscopic and macroscopic scales. At the microscopic scale, functional sensitivity analysis is used to explore themore » nature of the potential-to-dynamics relationships for reacting systems. Rate coefficients are estimated using quantum dynamics and path integral approaches. At the macroscopic level, combustion processes are modelled using chemical mechanisms at the appropriate level of detail dictated by the requirements of predicting particular aspects of combustion behavior. Parallel computing has facilitated the efforts to use detailed chemistry in models of turbulent reacting flow to predict minor species concentrations.« less

  17. Evaluation of radiological dispersion/consequence codes supporting DOE nuclear facility SARs

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    O`Kula, K.R.; Paik, I.K.; Chung, D.Y.

    1996-12-31

    Since the early 1990s, the authorization basis documentation of many U.S. Department of Energy (DOE) nuclear facilities has been upgraded to comply with DOE orders and standards. In this process, many safety analyses have been revised. Unfortunately, there has been nonuniform application of software, and the most appropriate computer and engineering methodologies often are not applied. A DOE Accident Phenomenology and Consequence (APAC) Methodology Evaluation Program was originated at the request of DOE Defense Programs to evaluate the safety analysis methodologies used in nuclear facility authorization basis documentation and to define future cost-effective support and development initiatives. Six areas, includingmore » source term development (fire, spills, and explosion analysis), in-facility transport, and dispersion/ consequence analysis (chemical and radiological) are contained in the APAC program. The evaluation process, codes considered, key results, and recommendations for future model and software development of the Radiological Dispersion/Consequence Working Group are summarized in this paper.« less

  18. Global biogeochemical cycles: Studies of interaction and change, some views on the strategy of approach

    NASA Technical Reports Server (NTRS)

    Bolin, B.

    1984-01-01

    The global biosphere is an exceedingly complex system. To gain an understanding of its structure and dynamic features, it is necessary to increase knowledge about the detailed processes, but also to develop models of how global interactions take place. Attempts to analyze the detailed physical, chemical and biological processes need, in this context, to be guided by an advancement of understanding of the latter. It is necessary to develop a strategy of data gathering that serves both these purposes simultaneously. climate research during the last decade may serve as a useful example of how to approach this difficult problem in a systematic way. Large programs for data collection may easily become rigid and costly. While realizing the necessity of a systematic and long lasting effort of observing the atmosphere, the oceans, land and life on Earth, such a program must remain flexible enough to permit the modifications and even sometimes improvisations that are necessary to maintain a viable program.

  19. Building model analysis applications with the Joint Universal Parameter IdenTification and Evaluation of Reliability (JUPITER) API

    USGS Publications Warehouse

    Banta, E.R.; Hill, M.C.; Poeter, E.; Doherty, J.E.; Babendreier, J.

    2008-01-01

    The open-source, public domain JUPITER (Joint Universal Parameter IdenTification and Evaluation of Reliability) API (Application Programming Interface) provides conventions and Fortran-90 modules to develop applications (computer programs) for analyzing process models. The input and output conventions allow application users to access various applications and the analysis methods they embody with a minimum of time and effort. Process models simulate, for example, physical, chemical, and (or) biological systems of interest using phenomenological, theoretical, or heuristic approaches. The types of model analyses supported by the JUPITER API include, but are not limited to, sensitivity analysis, data needs assessment, calibration, uncertainty analysis, model discrimination, and optimization. The advantages provided by the JUPITER API for users and programmers allow for rapid programming and testing of new ideas. Application-specific coding can be in languages other than the Fortran-90 of the API. This article briefly describes the capabilities and utility of the JUPITER API, lists existing applications, and uses UCODE_2005 as an example.

  20. Evaluation of food-relevant chemicals in the ToxCast high-throughput screening program

    EPA Science Inventory

    There are thousands of chemicals that are directly added to or come in contact with food, many of which have undergone little to no toxicological evaluation. The ToxCast high-throughput screening (HTS) program has evaluated over 1,800 chemicals in concentration-response across ~8...

  1. 76 FR 49473 - Petition to Maximize Practical Utility of List 1 Chemicals Screened Through EPA's Endocrine...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-08-10

    ... Utility of List 1 Chemicals Screened Through EPA's Endocrine Disruptor Screening Program; Notice of... to the test orders issued under the Endocrine Disruptor Screening Program. DATES: Comments must be... testing of chemical substances for potential endocrine effects. Potentially affected entities, identified...

  2. Innovative Adolescent Chemical Dependency Treatment and Its Outcome: A Model Based on Outward Bound Programming.

    ERIC Educational Resources Information Center

    McPeake, John D.; And Others

    1991-01-01

    Describes adolescent chemical dependency treatment model developed at Beech Hill Hospital (New Hampshire) which integrated Twelve Step-oriented alcohol and drug rehabilitation program with experiential education school, Hurricane Island Outward Bound School. Describes Beech Hill Hurricane Island Outward Bound School Adolescent Chemical Dependency…

  3. Supramolecular structures on silica surfaces and their adsorptive properties.

    PubMed

    Belyakov, Vladimir N; Belyakova, Lyudmila A; Varvarin, Anatoly M; Khora, Olexandra V; Vasilyuk, Sergei L; Kazdobin, Konstantin A; Maltseva, Tetyana V; Kotvitskyy, Alexey G; Danil de Namor, Angela F

    2005-05-01

    The study of adsorptive and chemical immobilization of beta-cyclodextrin on a surface of hydroxylated silicas with various porous structure is described. Using IR spectroscopy, thermal gravimetrical analysis with a programmed heating, and chemical analysis of the silica surface, it is shown that the process of adsorption-desorption of beta-cyclodextrin depends on the porous structure of the silica. The reaction of esterification was used for chemical grafting of beta-cyclodextrin on the surface of hydroxylated silicas. Hydrolytic stability of silicas chemically modified by beta-cyclodextrin apparently is explained by simultaneous formation of chemical and hydrogen bonds between surface silanol groups and hydroxyl groups of beta-cyclodextrin. The uptake of the cations Cu(II), Cd(II), and Pb(II) and the anions Cr(VI) and As(V) by silicas modified with beta-cyclodextrin is investigated as a function of equilibrium ion concentrations. The increase of ion uptake and selectivity of ion extraction in comparison with starting silicas is established. It is due to the formation of surface inclusion complexes of the "host-guest" type in which one molecule of beta-cyclodextrin interacts simultaneously with several ions.

  4. Visualizing Chemistry: The Progess and Promise of Advanced Chemical Imaging

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Committee on Revealing Chemistry Through Advanced Chemical Imaging

    2006-09-01

    The field of chemical imaging can provide detailed structural, functional, and applicable information about chemistry and chemical engineering phenomena that have enormous impacts on medicine, materials, and technology. In recognizing the potential for more research development in the field of chemical imaging, the National Academies was asked by the National Science Foundation, Department of Energy, U.S. Army, and National Cancer Institute to complete a study that would review the current state of molecular imaging technology, point to promising future developments and their applications, and suggest a research and educational agenda to enable breakthrough improvements in the ability to image molecularmore » processes simultaneously in multiple physical dimensions as well as time. The study resulted in a consensus report that provides guidance for a focused research and development program in chemical imaging and identifies research needs and possible applications of imaging technologies that can provide the breakthrough knowledge in chemistry, materials science, biology, and engineering for which we should strive. Public release of this report is expected in early October.« less

  5. Advanced Food Technology Workshop Report. Volumes 1 and 2

    NASA Technical Reports Server (NTRS)

    Perchonok, Michele

    2003-01-01

    The Advanced Human Support Technology (AHST) Program conducts research and technology development to provide new technologies and next-generation system that will enable humans to live and work safely and effectively in space. One program element within the AHST Program is Advanced Life Support (ALS). The goal of the ALS program element is to develop regenerative life support systems directed at supporting National Aeronautics and Space Administration's (NASA) future long-duration missions. Such missions could last from months to years and make resupply impractical, thereby necessitating self-sufficiency. Thus, subsystems must be developed to fully recycle air and water, recover resources from solid wastes grow plants, process raw plant products into nutritious and palatable foods, control the thermal environment, while reducing the overall system mass. ALS systems will be a combination of physico-chemical and biological components depending on the specific mission requirements. In the transit vehicle, the food system will primarily be a prepackaged food system with the possible addition of salad crops that can be picked and eaten with limited preparation. On the lunar or planetary evolved base, the food system will be a combination of the prepackaged menu item and ingredients that are processed from the grown crops. Food processing and food preparation will be part of this food system.

  6. Research on chemical vapor deposition processes for advanced ceramic coatings

    NASA Technical Reports Server (NTRS)

    Rosner, Daniel E.

    1993-01-01

    Our interdisciplinary background and fundamentally-oriented studies of the laws governing multi-component chemical vapor deposition (VD), particle deposition (PD), and their interactions, put the Yale University HTCRE Laboratory in a unique position to significantly advance the 'state-of-the-art' of chemical vapor deposition (CVD) R&D. With NASA-Lewis RC financial support, we initiated a program in March of 1988 that has led to the advances described in this report (Section 2) in predicting chemical vapor transport in high temperature systems relevant to the fabrication of refractory ceramic coatings for turbine engine components. This Final Report covers our principal results and activities for the total NASA grant of $190,000. over the 4.67 year period: 1 March 1988-1 November 1992. Since our methods and the technical details are contained in the publications listed (9 Abstracts are given as Appendices) our emphasis here is on broad conclusions/implications and administrative data, including personnel, talks, interactions with industry, and some known applications of our work.

  7. Programmable chemical controllers made from DNA.

    PubMed

    Chen, Yuan-Jyue; Dalchau, Neil; Srinivas, Niranjan; Phillips, Andrew; Cardelli, Luca; Soloveichik, David; Seelig, Georg

    2013-10-01

    Biological organisms use complex molecular networks to navigate their environment and regulate their internal state. The development of synthetic systems with similar capabilities could lead to applications such as smart therapeutics or fabrication methods based on self-organization. To achieve this, molecular control circuits need to be engineered to perform integrated sensing, computation and actuation. Here we report a DNA-based technology for implementing the computational core of such controllers. We use the formalism of chemical reaction networks as a 'programming language' and our DNA architecture can, in principle, implement any behaviour that can be mathematically expressed as such. Unlike logic circuits, our formulation naturally allows complex signal processing of intrinsically analogue biological and chemical inputs. Controller components can be derived from biologically synthesized (plasmid) DNA, which reduces errors associated with chemically synthesized DNA. We implement several building-block reaction types and then combine them into a network that realizes, at the molecular level, an algorithm used in distributed control systems for achieving consensus between multiple agents.

  8. Regulating chemical hazards in Japan, West Germany, France, the United Kingdom, and the European community: a comparative examination. Final report

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Coppock, R.

    This report is an outgrowth of a National Research Council program initiative to gain a cross-national perspective on the role scientific information has played in hazardous chemical regulation. Although this study is not meant to be evaluative, it is designed to help assess by comparison the decision-making and regulatory mechanisms in U.S. hazard assessment. The chapters on the individual countries are divided into three components: (1) relevant political and administrative traditions that influence expectations about and mechanisms of hazard regulation; (2) a compilation of the relevant statuatory instruments; and (3) the scope of the regulatory jurisdiction. The last category dividesmore » the laws into those which govern industrial plants, emmissions and discharges, worker protection, industrial substances, poisons, agricultural chemicals, food additives, and contaminants, consumer products, transport, chemical waste, and victim compensation. The study concludes with a discussion of ways in which such multinational perspectives might be used to strengthen the regulatory process of the U.S.« less

  9. Programmable chemical controllers made from DNA

    NASA Astrophysics Data System (ADS)

    Chen, Yuan-Jyue; Dalchau, Neil; Srinivas, Niranjan; Phillips, Andrew; Cardelli, Luca; Soloveichik, David; Seelig, Georg

    2013-10-01

    Biological organisms use complex molecular networks to navigate their environment and regulate their internal state. The development of synthetic systems with similar capabilities could lead to applications such as smart therapeutics or fabrication methods based on self-organization. To achieve this, molecular control circuits need to be engineered to perform integrated sensing, computation and actuation. Here we report a DNA-based technology for implementing the computational core of such controllers. We use the formalism of chemical reaction networks as a 'programming language' and our DNA architecture can, in principle, implement any behaviour that can be mathematically expressed as such. Unlike logic circuits, our formulation naturally allows complex signal processing of intrinsically analogue biological and chemical inputs. Controller components can be derived from biologically synthesized (plasmid) DNA, which reduces errors associated with chemically synthesized DNA. We implement several building-block reaction types and then combine them into a network that realizes, at the molecular level, an algorithm used in distributed control systems for achieving consensus between multiple agents.

  10. Programmable chemical controllers made from DNA

    PubMed Central

    Chen, Yuan-Jyue; Dalchau, Neil; Srinivas, Niranjan; Phillips, Andrew; Cardelli, Luca; Soloveichik, David; Seelig, Georg

    2014-01-01

    Biological organisms use complex molecular networks to navigate their environment and regulate their internal state. The development of synthetic systems with similar capabilities could lead to applications such as smart therapeutics or fabrication methods based on self-organization. To achieve this, molecular control circuits need to be engineered to perform integrated sensing, computation and actuation. Here we report a DNA-based technology for implementing the computational core of such controllers. We use the formalism of chemical reaction networks as a 'programming language', and our DNA architecture can, in principle, implement any behaviour that can be mathematically expressed as such. Unlike logic circuits, our formulation naturally allows complex signal processing of intrinsically analogue biological and chemical inputs. Controller components can be derived from biologically synthesized (plasmid) DNA, which reduces errors associated with chemically synthesized DNA. We implement several building-block reaction types and then combine them into a network that realizes, at the molecular level, an algorithm used in distributed control systems for achieving consensus between multiple agents. PMID:24077029

  11. The role of hazardousness and regulatory practice in the accidental release of chemicals at U.S. industrial facilities.

    PubMed

    Elliott, Michael R; Keindorfer, Paul R; Lowe, Robert A

    2003-10-01

    This article presents the results of an analysis of the accident history data reported under section 112(r) of the Clean Air Act Amendments. These data provide a fairly complete record of the consequences of reportable accidental releases occurring during the time frame 1995-1999 in the U.S. chemical industry and covering 77 toxic and 63 flammable substances subject to the provisions of section 112(r). As such, these results are of fundamental interest to the affected communities, regulators, and insurers, as well as to owners and managers in the chemical industry. The results show the statistical associations between accident frequency and severity and a number of characteristics of reporting facilities, including their size, the hazardousness of the processes and chemicals inventoried, and the regulatory programs (in addition to section 112(r)) to which these facilities are subject. The results are interpreted in light of economic drivers of protective activity and regulatory priorities for monitoring and enforcement.

  12. The University of Georgia Chemical Waste Disposal Program.

    ERIC Educational Resources Information Center

    Dreesen, David W.; Pohlman, Thomas J.

    1980-01-01

    Describes a university-wide program directed at reducing the improper storage and disposal of toxic chemical wastes from laboratories. Specific information is included on the implementation of a waste pick-up service, safety equipment, materials and methods for packaging, and costs of the program. (CS)

  13. Particle size effect of redox reactions for Co species supported on silica

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chotiwan, Siwaruk; Tomiga, Hiroki; Katagiri, Masaki

    Conversions of chemical states during redox reactions of two silica-supported Co catalysts, which were prepared by the impregnation method, were evaluated by using an in situ XAFS technique. The addition of citric acid into the precursor solution led to the formation on silica of more homogeneous and smaller Co particles, with an average diameter of 4 nm. The supported Co{sub 3}O{sub 4} species were reduced to metallic Co via the divalent CoO species during a temperature-programmed reduction process. The reduced Co species were quantitatively oxidized with a temperature-programmed oxidation process. The higher observed reduction temperature of the smaller CoO particlesmore » and the lower observed oxidation temperature of the smaller metallic Co particles were induced by the higher dispersion of the Co oxide species, which apparently led to a stronger interaction with supporting silica. The redox temperature between CoO and Co{sub 3}O{sub 4} was found to be independent of the particle size. - Graphical abstract: Chemical state conversions of SiO{sub 2}-supported Co species and the particle size effect have been analyzed by means of in situ XAFS technique. The small CoO particles have endurance against the reduction and exist in a wide temperature range. Display Omitted - Highlights: • The conversions of the chemical state of supported Co species during redox reaction are evaluated. • In operando XAFS technique were applied to measure redox properties of small Co particles. • A small particle size affects to the redox temperatures of cobalt catalysts.« less

  14. Proceedings of the USAF/NATO Conference on Maintenance of Air Base Operations in a Chemical Warfare Environment Held in Williamsburg, Virginia on August - September 1987

    DTIC Science & Technology

    1987-09-01

    46* The Nuclear, Biological and Chemical lLerservice Working Party -- The US Services NBC Operational Access to NATO - Major Robert J . Kainz...47 Avionics Decontamination Program - Captain Candice J . Tomlinson ............ 55 U S Army Decontamination Program Overview - Dr. James A. Baker...Respiratory Protection Program - Mr. Robert Tompkins .......... 228 Netherlands Chemical Defense Gear for F-16 Pilots - Dr. J . Medema ......... 233

  15. Safety of dermal diphoterine application: an active decontamination solution for chemical splash injuries.

    PubMed

    Hall, Alan H; Cavallini, Maurizio; Mathieu, Laurence; Maibach, Howard I

    2009-01-01

    Diphoterine (Laboratoire Prevor, Valmondois, France) is an active, amphoteric, polyvalent, chelating, slightly hypertonic decontamination solution for chemical splashes to the skin and eyes. It chemically binds a large number of chemical substances present on the skin surface without causing a significant release of heat (exothermic reactions). Because of its amphoteric properties, it can bind chemically opposite substances such as acids and bases or oxidizers and reducing agents. No adverse effects have been observed in an ongoing postmarketing surveillance program during many years of use in European industrial facilities. Diphoterine has more recently been used in hospitals for delayed management of chemical burns to the skin and eyes. There is interest in having protocols for both immediate and delayed diphoterine use for skin decontamination. Whereas studies of diphoterine efficacy, clinical and in vitro or ex vivo, have been published or are in the process of being prepared for publication, no review has yet been published focusing solely on the safety of this decontamination solution. Therefore, all available studies on the safety of diphoterine are described here, including recent studies demonstrating no harmful effects on the skin. Diphoterine can be used, even on damaged skin, without toxic, irritant, allergenic, or sensitizing effects.

  16. DOE Office of Scientific and Technical Information (OSTI.GOV)

    SEDLACEK,III, A.J.FINFROCK,C.

    As a member of the science-support part of the ITT-lead LISA development program, BNL is tasked with the acquisition of UV Raman spectral fingerprints and associated scattering cross-sections for those chemicals-of-interest to the program's sponsor. In support of this role, the present report contains the first installment of UV Raman spectral fingerprint data on the initial subset of chemicals. Because of the unique nature associated with the acquisition of spectral fingerprints for use in spectral pattern matching algorithms (i.e., CLS, PLS, ANN) great care has been undertaken to maximize the signal-to-noise and to minimize unnecessary spectral subtractions, in an effortmore » to provide the highest quality spectral fingerprints. This report is divided into 4 sections. The first is an Experimental section that outlines how the Raman spectra are performed. This is then followed by a section on Sample Handling. Following this, the spectral fingerprints are presented in the Results section where the data reduction process is outlined. Finally, a Photographs section is included.« less

  17. Engineering Design and Automation in the Applied Engineering Technologies (AET) Group at Los Alamos National Laboratory.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wantuck, P. J.; Hollen, R. M.

    2002-01-01

    This paper provides an overview of some design and automation-related projects ongoing within the Applied Engineering Technologies (AET) Group at Los Alamos National Laboratory. AET uses a diverse set of technical capabilities to develop and apply processes and technologies to applications for a variety of customers both internal and external to the Laboratory. The Advanced Recovery and Integrated Extraction System (ARIES) represents a new paradigm for the processing of nuclear material from retired weapon systems in an environment that seeks to minimize the radiation dose to workers. To achieve this goal, ARIES relies upon automation-based features to handle and processmore » the nuclear material. Our Chemical Process Development Team specializes in fuzzy logic and intelligent control systems. Neural network technology has been utilized in some advanced control systems developed by team members. Genetic algorithms and neural networks have often been applied for data analysis. Enterprise modeling, or discrete event simulation, as well as chemical process simulation has been employed for chemical process plant design. Fuel cell research and development has historically been an active effort within the AET organization. Under the principal sponsorship of the Department of Energy, the Fuel Cell Team is now focusing on technologies required to produce fuel cell compatible feed gas from reformation of a variety of conventional fuels (e.g., gasoline, natural gas), principally for automotive applications. This effort involves chemical reactor design and analysis, process modeling, catalyst analysis, as well as full scale system characterization and testing. The group's Automation and Robotics team has at its foundation many years of experience delivering automated and robotic systems for nuclear, analytical chemistry, and bioengineering applications. As an integrator of commercial systems and a developer of unique custom-made systems, the team currently supports the automation needs of many Laboratory programs.« less

  18. Processing lunar soils for oxygen and other materials

    NASA Technical Reports Server (NTRS)

    Knudsen, Christian W.; Gibson, Michael A.

    1992-01-01

    Two types of lunar materials are excellent candidates for lunar oxygen production: ilmenite and silicates such as anorthite. Both are lunar surface minable, occurring in soils, breccias, and basalts. Because silicates are considerably more abundant than ilmenite, they may be preferred as source materials. Depending on the processing method chosen for oxygen production and the feedstock material, various useful metals and bulk materials can be produced as byproducts. Available processing techniques include hydrogen reduction of ilmenite and electrochemical and chemical reductions of silicates. Processes in these categories are generally in preliminary development stages and need significant research and development support to carry them to practical deployment, particularly as a lunar-based operation. The goal of beginning lunar processing operations by 2010 requires that planning and research and development emphasize the simplest processing schemes. However, more complex schemes that now appear to present difficult technical challenges may offer more valuable metal byproducts later. While they require more time and effort to perfect, the more complex or difficult schemes may provide important processing and product improvements with which to extend and elaborate the initial lunar processing facilities. A balanced R&D program should take this into account. The following topics are discussed: (1) ilmenite--semi-continuous process; (2) ilmenite--continuous fluid-bed reduction; (3) utilization of spent ilmenite to produce bulk materials; (4) silicates--electrochemical reduction; and (5) silicates--chemical reduction.

  19. Computer Program for Calculation of Complex Chemical Equilibrium Compositions, Rocket Performance, Incident and Reflected Shocks, and Chapman-Jouguet Detonations. Interim Revision, March 1976

    NASA Technical Reports Server (NTRS)

    Gordon, S.; Mcbride, B. J.

    1976-01-01

    A detailed description of the equations and computer program for computations involving chemical equilibria in complex systems is given. A free-energy minimization technique is used. The program permits calculations such as (1) chemical equilibrium for assigned thermodynamic states (T,P), (H,P), (S,P), (T,V), (U,V), or (S,V), (2) theoretical rocket performance for both equilibrium and frozen compositions during expansion, (3) incident and reflected shock properties, and (4) Chapman-Jouguet detonation properties. The program considers condensed species as well as gaseous species.

  20. Quantitative Metabolome Analysis Based on Chromatographic Peak Reconstruction in Chemical Isotope Labeling Liquid Chromatography Mass Spectrometry.

    PubMed

    Huan, Tao; Li, Liang

    2015-07-21

    Generating precise and accurate quantitative information on metabolomic changes in comparative samples is important for metabolomics research where technical variations in the metabolomic data should be minimized in order to reveal biological changes. We report a method and software program, IsoMS-Quant, for extracting quantitative information from a metabolomic data set generated by chemical isotope labeling (CIL) liquid chromatography mass spectrometry (LC-MS). Unlike previous work of relying on mass spectral peak ratio of the highest intensity peak pair to measure relative quantity difference of a differentially labeled metabolite, this new program reconstructs the chromatographic peaks of the light- and heavy-labeled metabolite pair and then calculates the ratio of their peak areas to represent the relative concentration difference in two comparative samples. Using chromatographic peaks to perform relative quantification is shown to be more precise and accurate. IsoMS-Quant is integrated with IsoMS for picking peak pairs and Zero-fill for retrieving missing peak pairs in the initial peak pairs table generated by IsoMS to form a complete tool for processing CIL LC-MS data. This program can be freely downloaded from the www.MyCompoundID.org web site for noncommercial use.

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