Active biopolymers in green non-conventional media: a sustainable tool for developing clean chemical processes.

PubMed

Lozano, Pedro; Bernal, Juana M; Nieto, Susana; Gomez, Celia; Garcia-Verdugo, Eduardo; Luis, Santiago V

2015-12-21

The greenness of chemical processes turns around two main axes: the selectivity of catalytic transformations, and the separation of pure products. The transfer of the exquisite catalytic efficiency shown by enzymes in nature to chemical processes is an important challenge. By using appropriate reaction systems, the combination of biopolymers with supercritical carbon dioxide (scCO2) and ionic liquids (ILs) resulted in synergetic and outstanding platforms for developing (multi)catalytic green chemical processes, even under flow conditions. The stabilization of biocatalysts, together with the design of straightforward approaches for separation of pure products including the full recovery and reuse of enzymes/ILs systems, are essential elements for developing clean chemical processes. By understanding structure-function relationships of biopolymers in ILs, as well as for ILs themselves (e.g. sponge-like ionic liquids, SLILs; supported ionic liquids-like phases, SILLPs, etc.), several integral green chemical processes of (bio)catalytic transformation and pure product separation are pointed out (e.g. the biocatalytic production of biodiesel in SLILs, etc.). Other developments based on DNA/ILs systems, as pathfinder studies for further technological applications in the near future, are also considered.

40 CFR 63.11502 - What definitions apply to this subpart?

Code of Federal Regulations, 2010 CFR

2010-07-01

...: process knowledge, an engineering assessment, or test data. Byproduct means a chemical (liquid, gas, or... (CONTINUED) National Emission Standards for Hazardous Air Pollutants for Chemical Manufacturing Area Sources... system(s); (5) A gas stream routed to other processes for reaction or other use in another process (i.e...

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.

Method and system for extraction of chemicals from aquifer remediation effluent water

DOEpatents

McMurtrey, Ryan D.; Ginosar, Daniel M.; Moor, Kenneth S.; Shook, G. Michael; Barker, Donna L.

2003-01-01

A method and system for extraction of chemicals from an groundwater remediation aqueous effluent are provided. The extraction method utilizes a critical fluid for separation and recovery of chemicals employed in remediating groundwater contaminated with hazardous organic substances, and is particularly suited for separation and recovery of organic contaminants and process chemicals used in surfactant-based remediation technologies. The extraction method separates and recovers high-value chemicals from the remediation effluent and minimizes the volume of generated hazardous waste. The recovered chemicals can be recycled to the remediation process or stored for later use.

EVALUATING AND DESIGNING CHEMICAL PROCESSES FOR ENVIRONMENTAL SUSTAINABILITY

EPA Science Inventory

Chemicals and chemical processes are at the heart of most environmental problems. This isn't surprising since chemicals make up all of the products we use in our lives. The common use of cjhemicals makes them of high interest for systems analysis, particularly because of environ...

[Construction of research system for processing mechanism of traditional Chinese medicine based on chemical composition transformation combined with intestinal absorption barrier].

PubMed

Sun, E; Xu, Feng-Juan; Zhang, Zhen-Hai; Wei, Ying-Jie; Tan, Xiao-Bin; Cheng, Xu-Dong; Jia, Xiao-Bin

2014-02-01

Based on practice of Epimedium processing mechanism for many years and integrated multidisciplinary theory and technology, this paper initially constructs the research system for processing mechanism of traditional Chinese medicine based on chemical composition transformation combined with intestinal absorption barrier, which to form an innovative research mode of the " chemical composition changes-biological transformation-metabolism in vitro and in vivo-intestinal absorption-pharmacokinetic combined pharmacodynamic-pharmacodynamic mechanism". Combined with specific examples of Epimedium and other Chinese herbal medicine processing mechanism, this paper also discusses the academic thoughts, research methods and key technologies of this research system, which will be conducive to systematically reveal the modem scientific connotation of traditional Chinese medicine processing, and enrich the theory of Chinese herbal medicine processing.

Identifying chemicals that are planetary boundary threats.

PubMed

MacLeod, Matthew; Breitholtz, Magnus; Cousins, Ian T; de Wit, Cynthia A; Persson, Linn M; Rudén, Christina; McLachlan, Michael S

2014-10-07

Rockström et al. proposed a set of planetary boundaries that delimit a "safe operating space for humanity". Many of the planetary boundaries that have so far been identified are determined by chemical agents. Other chemical pollution-related planetary boundaries likely exist, but are currently unknown. A chemical poses an unknown planetary boundary threat if it simultaneously fulfills three conditions: (1) it has an unknown disruptive effect on a vital Earth system process; (2) the disruptive effect is not discovered until it is a problem at the global scale, and (3) the effect is not readily reversible. In this paper, we outline scenarios in which chemicals could fulfill each of the three conditions, then use the scenarios as the basis to define chemical profiles that fit each scenario. The chemical profiles are defined in terms of the nature of the effect of the chemical and the nature of exposure of the environment to the chemical. Prioritization of chemicals in commerce against some of the profiles appears feasible, but there are considerable uncertainties and scientific challenges that must be addressed. Most challenging is prioritizing chemicals for their potential to have a currently unknown effect on a vital Earth system process. We conclude that the most effective strategy currently available to identify chemicals that are planetary boundary threats is prioritization against profiles defined in terms of environmental exposure combined with monitoring and study of the biogeochemical processes that underlie vital Earth system processes to identify currently unknown disruptive effects.

[Prospects in getting accordance between chemical analytic control means and medical technical requirements to safety system concerning chemical weapons destruction].

PubMed

Rembovskiĭ, V R; Mogilenkova, L A; Savel'eva, E I

2005-01-01

The major unit monitoring chemical weapons destruction objects is a system of chemical analyticcontrol over the technologic process procedures and possibility of environment and workplace pollution withtoxicchemicals and their destruction products. At the same time, physical and chemical control means meet sanitary and hygienic requirements incompletely. To provide efficient control, internationally recognized approaches should be adapted to features of Russian system monitoring pollution of chemical weapons destruction objects with toxic chemicals.

Engineered Barrier System: Physical and Chemical Environment

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

P. Dixon

2004-04-26

The conceptual and predictive models documented in this Engineered Barrier System: Physical and Chemical Environment Model report describe the evolution of the physical and chemical conditions within the waste emplacement drifts of the repository. The modeling approaches and model output data will be used in the total system performance assessment (TSPA-LA) to assess the performance of the engineered barrier system and the waste form. These models evaluate the range of potential water compositions within the emplacement drifts, resulting from the interaction of introduced materials and minerals in dust with water seeping into the drifts and with aqueous solutions forming bymore » deliquescence of dust (as influenced by atmospheric conditions), and from thermal-hydrological-chemical (THC) processes in the drift. These models also consider the uncertainty and variability in water chemistry inside the drift and the compositions of introduced materials within the drift. This report develops and documents a set of process- and abstraction-level models that constitute the engineered barrier system: physical and chemical environment model. Where possible, these models use information directly from other process model reports as input, which promotes integration among process models used for total system performance assessment. Specific tasks and activities of modeling the physical and chemical environment are included in the technical work plan ''Technical Work Plan for: In-Drift Geochemistry Modeling'' (BSC 2004 [DIRS 166519]). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system analysis model reports.« less

40 CFR 749.68 - Hexavalent chromium-based water treatment chemicals in cooling systems.

Code of Federal Regulations, 2011 CFR

2011-07-01

... tower used to remove heat from industrial processes, chemical reactions, or plants producing electrical... treatment chemicals in cooling systems. 749.68 Section 749.68 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT WATER TREATMENT CHEMICALS Air Conditioning and...

40 CFR 749.68 - Hexavalent chromium-based water treatment chemicals in cooling systems.

Code of Federal Regulations, 2012 CFR

2012-07-01

... tower used to remove heat from industrial processes, chemical reactions, or plants producing electrical... treatment chemicals in cooling systems. 749.68 Section 749.68 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT WATER TREATMENT CHEMICALS Air Conditioning and...

40 CFR 749.68 - Hexavalent chromium-based water treatment chemicals in cooling systems.

Code of Federal Regulations, 2013 CFR

2013-07-01

... tower used to remove heat from industrial processes, chemical reactions, or plants producing electrical... treatment chemicals in cooling systems. 749.68 Section 749.68 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT WATER TREATMENT CHEMICALS Air Conditioning and...

40 CFR 749.68 - Hexavalent chromium-based water treatment chemicals in cooling systems.

Code of Federal Regulations, 2014 CFR

2014-07-01

... tower used to remove heat from industrial processes, chemical reactions, or plants producing electrical... treatment chemicals in cooling systems. 749.68 Section 749.68 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT WATER TREATMENT CHEMICALS Air Conditioning and...

Best practices in incident investigation in the chemical process industries with examples from the industry sector and specifically from Nova Chemicals.

PubMed

Morrison, Lisa M

2004-07-26

This paper will summarize best practices in incident investigation in the chemical process industries and will provide examples from both the industry sector and specifically from NOVA Chemicals. As a sponsor of the Center for Chemical Process Safety (CCPS), an industry technology alliance of the American Institute of Chemical Engineers, NOVA Chemicals participates in a number of working groups to help develop best practices and tools for the chemical process and associated industries in order to advance chemical process safety. A recent project was to develop an update on guidelines for investigating chemical process incidents. A successful incident investigation management system must ensure that all incidents and near misses are reported, that root causes are identified, that recommendations from incident investigations identify appropriate preventive measures, and that these recommendations are resolved in a timely manner. The key elements of an effective management system for incident investigation will be described. Accepted definitions of such terms as near miss, incident, and root cause will be reviewed. An explanation of the types of incident classification systems in use, along with expected levels of follow-up, will be provided. There are several incident investigation methodologies in use today by members of the CCPS; most of these methodologies incorporate the use of several tools. These tools include: timelines, sequence diagrams, causal factor identification, brainstorming, checklists, pre-defined trees, and team-defined logic trees. Developing appropriate recommendations and then ensuring their resolution is the key to prevention of similar events from recurring, along with the sharing of lessons learned from incidents. There are several sources of information on previous incidents and lessons learned available to companies. In addition, many companies in the chemical process industries use their own internal databases to track recommendations from incidents and to share learnings internally.

REBURNING THERMAL AND CHEMICAL PROCESSES IN A TWO-DIMENSIONAL PILOT-SCALE SYSTEM

EPA Science Inventory

The paper describes an experimental investigation of the thermal and chemical processes influencing NOx reduction by natural gas reburning in a two-dimensional pilot-scale combustion system. Reburning effectiveness for initial NOx levels of 50-500 ppm and reburn stoichiometric ra...

40 CFR 430.33 - Effluent limitations guidelines representing the degree of effluent reduction attainable by the...

Code of Federal Regulations, 2011 CFR

2011-07-01

... times. Subpart C [BCT effluent limitations for unbleached kraft-neutral sulfite semi-chemical (cross recovery) process and/or a combined unbleached kraft and semi-chemical process, wherein the spent semi-chemical cooking liquor is burned within the unbleached kraft chemical recovery system] Pollutant or...

40 CFR 430.33 - Effluent limitations guidelines representing the degree of effluent reduction attainable by the...

Code of Federal Regulations, 2010 CFR

2010-07-01

... times. Subpart C [BCT effluent limitations for unbleached kraft-neutral sulfite semi-chemical (cross recovery) process and/or a combined unbleached kraft and semi-chemical process, wherein the spent semi-chemical cooking liquor is burned within the unbleached kraft chemical recovery system] Pollutant or...

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.

Carbon-free hydrogen production from low rank coal

NASA Astrophysics Data System (ADS)

Aziz, Muhammad; Oda, Takuya; Kashiwagi, Takao

2018-02-01

Novel carbon-free integrated system of hydrogen production and storage from low rank coal is proposed and evaluated. To measure the optimum energy efficiency, two different systems employing different chemical looping technologies are modeled. The first integrated system consists of coal drying, gasification, syngas chemical looping, and hydrogenation. On the other hand, the second system combines coal drying, coal direct chemical looping, and hydrogenation. In addition, in order to cover the consumed electricity and recover the energy, combined cycle is adopted as addition module for power generation. The objective of the study is to find the best system having the highest performance in terms of total energy efficiency, including hydrogen production efficiency and power generation efficiency. To achieve a thorough energy/heat circulation throughout each module and the whole integrated system, enhanced process integration technology is employed. It basically incorporates two core basic technologies: exergy recovery and process integration. Several operating parameters including target moisture content in drying module, operating pressure in chemical looping module, are observed in terms of their influence to energy efficiency. From process modeling and calculation, two integrated systems can realize high total energy efficiency, higher than 60%. However, the system employing coal direct chemical looping represents higher energy efficiency, including hydrogen production and power generation, which is about 83%. In addition, optimum target moisture content in drying and operating pressure in chemical looping also have been defined.

Biocatalysis: applications and potentials for the chemical industry.

PubMed

Thomas, Stuart M; DiCosimo, Robert; Nagarajan, Vasantha

2002-06-01

The chemical industry is exploring the use of renewable feed stocks to improve sustainability, prompting the exploration of bioprocesses for the production of chemicals. Attractive features of biological systems include versatility, substrate selectivity, regioselectivity, chemoselectivity, enantioselectivity and catalysis at ambient temperatures and pressures. However, a challenge facing bioprocesses is cost competitiveness with chemical processes because capital assets associated with the existing commercial processes are high. The chemical industry will probably use biotechnology with existing feed stocks and processes to extract higher values from feed stocks, process by-products and waste streams. In this decade, bioprocesses that offer either a process or a product advantage over traditional chemical routes will become more widely used.

GREENER CHEMICAL PROCESS DESIGN ALTERNATIVES ARE REVEALED USING THE WASTE REDUCTION DECISION SUPPORT SYSTEM (WAR DSS)

EPA Science Inventory

The Waste Reduction Decision Support System (WAR DSS) is a Java-based software product providing comprehensive modeling of potential adverse environmental impacts (PEI) predicted to result from newly designed or redesigned chemical manufacturing processes. The purpose of this so...

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.

An integrated decision model for the application of airborne sensors for improved response to accidental and terrorist chemical vapor releases

NASA Astrophysics Data System (ADS)

Kapitan, Loginn

This research created a new model which provides an integrated approach to planning the effective selection and employment of airborne sensor systems in response to accidental or intentional chemical vapor releases. The approach taken was to use systems engineering and decision analysis methods to construct a model architecture which produced a modular structure for integrating both new and existing components into a logical procedure to assess the application of airborne sensor systems to address chemical vapor hazards. The resulting integrated process model includes an internal aggregation model which allowed differentiation among alternative airborne sensor systems. Both models were developed and validated by experts and demonstrated using appropriate hazardous chemical release scenarios. The resultant prototype integrated process model or system fills a current gap in capability allowing improved planning, training and exercise for HAZMAT teams and first responders when considering the selection and employment of airborne sensor systems. Through the research process, insights into the current response structure and how current airborne capability may be most effectively used were generated. Furthermore, the resultant prototype system is tailorable for local, state, and federal application, and can potentially be modified to help evaluate investments in new airborne sensor technology and systems. Better planning, training and preparedness exercising holds the prospect for the effective application of airborne assets for improved response to large scale chemical release incidents. Improved response will result in fewer casualties and lives lost, reduced economic impact, and increased protection of critical infrastructure when faced with accidental and intentional terrorist release of hazardous industrial chemicals. With the prospect of more airborne sensor systems becoming available, this prototype system integrates existing and new tools into an effective process for the selection and employment of airborne sensors to better plan, train and exercise ahead of potential chemical release events.

Chemical processing of glasses

NASA Astrophysics Data System (ADS)

Laine, Richard M.

1990-11-01

The development of chemical processing methods for the fabrication of glass and ceramic shapes for photonic applications is frequently Edisonian in nature. In part, this is because the numerous variables that must be optimized to obtain a given material with a specific shape and particular properties cannot be readily defined based on fundamental principles. In part, the problems arise because the basic chemistry of common chemical processing systems has not been fully delineated. The prupose of this paper is to provide an overview of the basic chemical problems associated with chemical processing. The emphasis will be on sol-gel processing, a major subset pf chemical processing. Two alternate approaches to chemical processing of glasses are also briefly discussed. One approach concerns the use of bimetallic alkoxide oligomers and polymers as potential precursors to mulimetallic glasses. The second approach describes the utility of metal carboxylate precursors to multimetallic glasses.

STATISTICAL DATA ON CHEMICAL COMPOUNDS.

DTIC Science & Technology

DATA STORAGE SYSTEMS, FEASIBILITY STUDIES, COMPUTERS, STATISTICAL DATA , DOCUMENTS, ARMY...CHEMICAL COMPOUNDS, INFORMATION RETRIEVAL), (*INFORMATION RETRIEVAL, CHEMICAL COMPOUNDS), MOLECULAR STRUCTURE, BIBLIOGRAPHIES, DATA PROCESSING

The Global Food System as a Transport Pathway for Hazardous Chemicals: The Missing Link between Emissions and Exposure.

PubMed

Ng, Carla A; von Goetz, Natalie

2017-01-01

Food is a major pathway for human exposure to hazardous chemicals. The modern food system is becoming increasingly complex and globalized, but models for food-borne exposure typically assume locally derived diets or use concentrations directly measured in foods without accounting for food origin. Such approaches may not reflect actual chemical intakes because concentrations depend on food origin, and representative analysis is seldom available. Processing, packaging, storage, and transportation also impart different chemicals to food and are not yet adequately addressed. Thus, the link between environmental emissions and realistic human exposure is effectively broken. We discuss the need for a fully integrated treatment of the modern industrialized food system, and we propose strategies for using existing models and relevant supporting data sources to track chemicals during production, processing, packaging, storage, and transport. Fate and bioaccumulation models describe how chemicals distribute in the environment and accumulate through local food webs. Human exposure models can use concentrations in food to determine body burdens based on individual or population characteristics. New models now include the impacts of processing and packaging but are far from comprehensive. We propose to close the gap between emissions and exposure by utilizing a wider variety of models and data sources, including global food trade data, processing, and packaging models. A comprehensive approach that takes into account the complexity of the modern global food system is essential to enable better prediction of human exposure to chemicals in food, sound risk assessments, and more focused risk abatement strategies. Citation: Ng CA, von Goetz N. 2017. The global food system as a transport pathway for hazardous chemicals: the missing link between emissions and exposure. Environ Health Perspect 125:1-7; http://dx.doi.org/10.1289/EHP168.

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.

Treatment Process Requirements for Waters Containing Hydraulic Fracturing Chemicals

NASA Astrophysics Data System (ADS)

Stringfellow, W. T.; Camarillo, M. K.; Domen, J. K.; Sandelin, W.; Varadharajan, C.; Cooley, H.; Jordan, P. D.; Heberger, M. G.; Reagan, M. T.; Houseworth, J. E.; Birkholzer, J. T.

2015-12-01

A wide variety of chemical additives are used as part of the hydraulic fracturing (HyF) process. There is concern that HyF chemicals will be released into the environment and contaminate drinking water, agricultural water, or other water used for beneficial purposes. There is also interest in using produced water (water extracted from the subsurface during oil and gas production) for irrigation and other beneficial purposes, especially in the arid Southwest US. Reuse of produced water is not speculative: produced water can be low in salts and is being used in California for irrigation after minimal treatment. In this study, we identified chemicals that are used for hydraulic fracturing in California and conducted an analysis to determine if those chemicals would be removed by a variety of technically available treatment processes, including oil/water separation, air stripping, a variety of sorption media, advanced oxidation, biological treatment, and a variety of membrane treatment systems. The approach taken was to establish major physiochemical properties for individual chemicals (log Koc, Henry's constant, biodegradability, etc.), group chemicals by function (e.g corrosion inhibition, biocides), and use those properties to predict the fate of chemical additives in a treatment process. Results from this analysis is interpreted in the context of what is known about existing systems for the treatment of produced water before beneficial reuse, which includes a range of treatment systems from oil/water separators (the most common treatment) to sophisticated treatment trains used for purifying produced water for groundwater recharge. The results show that most HyF chemical additives will not be removed in existing treatment systems, but that more sophisticated treatment trains can be designed to remove additives before beneficial reuse.

DECISION SUPPORT SYSTEM TO ENHANCE AND ENCOURAGE SUSTAINABLE CHEMICAL PROCESS DESIGN

EPA Science Inventory

There is an opportunity to minimize the potential environmental impacts (PEIs) of industrial chemical processes by providing process designers with timely data nad models elucidating environmentally favorable design options. The second generation of the Waste Reduction (WAR) algo...

Some aspects of mathematical and chemical modeling of complex chemical processes

NASA Technical Reports Server (NTRS)

Nemes, I.; Botar, L.; Danoczy, E.; Vidoczy, T.; Gal, D.

1983-01-01

Some theoretical questions involved in the mathematical modeling of the kinetics of complex chemical process are discussed. The analysis is carried out for the homogeneous oxidation of ethylbenzene in the liquid phase. Particular attention is given to the determination of the general characteristics of chemical systems from an analysis of mathematical models developed on the basis of linear algebra.

[The workplace injury trends in the petrochemical industry: from data analysis to risk management].

PubMed

Campo, Giuseppe; Martini, Benedetta

2013-01-01

The most recent INAIL data show that, in 2009-2011, the accident frequency rate and the severity rate of workplace injuries in the chemical industry are lower than for the total non-agricultural workforce. The chemical industry, primarily because of the complex and hazardous work processes, requires an appropriate system for assessing and monitoring specific risks.The implementation of Responsible Care, a risk management system specific for the chemical industry, in 1984, has represented a historical step in the process of critical awareness of risk management by the chemical companies. Responsible Care is a risk management system specifically designed on the risk profiles of this type of enterprise, which integrates safety, health and environment. A risk management system, suitable for the needs of a chemical company, should extend its coverage area, beyond the responsible management of products throughout the entire production cycle, to the issues of corporate responsibility.

Control and optimization system and method for chemical looping processes

DOEpatents

Lou, Xinsheng; Joshi, Abhinaya; Lei, Hao

2014-06-24

A control system for optimizing a chemical loop system includes one or more sensors for measuring one or more parameters in a chemical loop. The sensors are disposed on or in a conduit positioned in the chemical loop. The sensors generate one or more data signals representative of an amount of solids in the conduit. The control system includes a data acquisition system in communication with the sensors and a controller in communication with the data acquisition system. The data acquisition system receives the data signals and the controller generates the control signals. The controller is in communication with one or more valves positioned in the chemical loop. The valves are configured to regulate a flow of the solids through the chemical loop.

Control and optimization system and method for chemical looping processes

DOEpatents

Lou, Xinsheng; Joshi, Abhinaya; Lei, Hao

2015-02-17

A control system for optimizing a chemical loop system includes one or more sensors for measuring one or more parameters in a chemical loop. The sensors are disposed on or in a conduit positioned in the chemical loop. The sensors generate one or more data signals representative of an amount of solids in the conduit. The control system includes a data acquisition system in communication with the sensors and a controller in communication with the data acquisition system. The data acquisition system receives the data signals and the controller generates the control signals. The controller is in communication with one or more valves positioned in the chemical loop. The valves are configured to regulate a flow of the solids through the chemical loop.

75 FR 81868 - Approval and Promulgation of Implementation Plans; Kentucky: Prevention of Significant...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-12-29

... ethanol through a natural fermentation process from the definition of ``chemical process plants'' in the... through a natural fermentation process from the definition of ``chemical process plants'' in the major NSR... facilities producing ethanol by natural fermentation under the North American Industry Classification System...

Processes for converting biomass-derived feedstocks to chemicals and liquid fuels

DOEpatents

Held, Andrew; Woods, Elizabeth; Cortright, Randy; Gray, Matthew

2017-05-23

The present invention provides processes, methods, and systems for converting biomass-derived feedstocks to liquid fuels and chemicals. The method generally includes the reaction of a hydrolysate from a biomass deconstruction process with hydrogen and a catalyst to produce a reaction product comprising one of more oxygenated compounds. The process also includes reacting the reaction product with a condensation catalyst to produce C.sub.4+ compounds useful as fuels and chemicals.

Processes for converting biomass-derived feedstocks to chemicals and liquid fuels

DOEpatents

Held, Andrew; Woods, Elizabeth; Cortright, Randy; Gray, Matthew

2016-07-05

The present invention provides processes, methods, and systems for converting biomass-derived feedstocks to liquid fuels and chemicals. The method generally includes the reaction of a hydrolysate from a biomass deconstruction process with hydrogen and a catalyst to produce a reaction product comprising one of more oxygenated compounds. The process also includes reacting the reaction product with a condensation catalyst to produce C.sub.4+ compounds useful as fuels and chemicals.

Processes for converting biomass-derived feedstocks to chemicals and liquid fuels

DOEpatents

Held, Andrew; Woods, Elizabeth; Cortright, Randy; Gray, Matthew

2018-04-17

The present invention provides processes, methods, and systems for converting biomass-derived feedstocks to liquid fuels and chemicals. The method generally includes the reaction of a hydrolysate from a biomass deconstruction process with hydrogen and a catalyst to produce a reaction product comprising one of more oxygenated compounds. The process also includes reacting the reaction product with a condensation catalyst to produce C.sub.4+ compounds useful as fuels and chemicals.

Vessel with filter and method of use

DOEpatents

Morrell, Jonathan S.; Ripley, Edward B.; Cecala, David M.

2008-01-29

Chemical processing apparatuses which incorporate a process vessel, such as a crucible or retort, and which include a gas separation or filtration system. Various embodiments incorporate such features as loose filtration material, semi-rigid filtration material, and structured filtration material. The vessel may include material that is a microwave susceptor. Filtration media may be selected so that if it inadvertently mixes with the chemical process or the reaction products of such process, it would not adversely affect the results of the chemical process.

Energy Systems Fabrication Laboratory | Energy Systems Integration Facility

Science.gov Websites

Fabrication The fuel cell fabrication hub includes laboratory spaces with local exhaust and chemical fume hoods that support electrolysis and other chemical process research. Key Infrastructure Perchloric acid washdown hood, local exhaust, specialty gas manifolding, deionized water, chemical fume hoods, glassware

WAR DSS: A DECISION SUPPORT SYSTEM FOR ENVIRONMENTALLY CONSCIOUS CHEMICAL PROCESS DESIGN

EPA Science Inventory

The second generation of the Waste Reduction (WAR) Algorithm is constructed as a decision support system (DSS) in the design of chemical manufacturing facilities. The WAR DSS is a software tool that can help reduce the potential environmental impacts (PEIs) of industrial chemical...

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.

Quantum chemical methods for the investigation of photoinitiated processes in biological systems: theory and applications.

PubMed

Dreuw, Andreas

2006-11-13

With the advent of modern computers and advances in the development of efficient quantum chemical computer codes, the meaningful computation of large molecular systems at a quantum mechanical level became feasible. Recent experimental effort to understand photoinitiated processes in biological systems, for instance photosynthesis or vision, at a molecular level also triggered theoretical investigations in this field. In this Minireview, standard quantum chemical methods are presented that are applicable and recently used for the calculation of excited states of photoinitiated processes in biological molecular systems. These methods comprise configuration interaction singles, the complete active space self-consistent field method, and time-dependent density functional theory and its variants. Semiempirical approaches are also covered. Their basic theoretical concepts and mathematical equations are briefly outlined, and their properties and limitations are discussed. Recent successful applications of the methods to photoinitiated processes in biological systems are described and theoretical tools for the analysis of excited states are presented.

System and process for capture of acid gasses at elevated pressure from gaseous process streams

DOEpatents

Heldebrant, David J.; Koech, Phillip K.; Linehan, John C.; Rainbolt, James E.; Bearden, Mark D.; Zheng, Feng

2016-09-06

A system, method, and material that enables the pressure-activated reversible chemical capture of acid gasses such as CO.sub.2 from gas volumes such as streams, flows or any other volume. Once the acid gas is chemically captured, the resulting product typically a zwitterionic salt, can be subjected to a reduced pressure whereupon the resulting product will release the captures acid gas and the capture material will be regenerated. The invention includes this process as well as the materials and systems for carrying out and enabling this process.

40 CFR 63.443 - Standards for the pulping system at kraft, soda, and semi-chemical processes.

Code of Federal Regulations, 2014 CFR

2014-07-01

... operated at a minimum temperature of 871 °C (1600 °F) and a minimum residence time of 0.75 seconds; or (4... Paper Industry § 63.443 Standards for the pulping system at kraft, soda, and semi-chemical processes. (a...)(ii)(C) of this section. (A) Each knotter system with emissions of 0.05 kilograms or more of total HAP...

40 CFR 63.443 - Standards for the pulping system at kraft, soda, and semi-chemical processes.

Code of Federal Regulations, 2013 CFR

2013-07-01

... operated at a minimum temperature of 871 °C (1600 °F) and a minimum residence time of 0.75 seconds; or (4... Paper Industry § 63.443 Standards for the pulping system at kraft, soda, and semi-chemical processes. (a...)(ii)(C) of this section. (A) Each knotter system with emissions of 0.05 kilograms or more of total HAP...

40 CFR 63.443 - Standards for the pulping system at kraft, soda, and semi-chemical processes.

Code of Federal Regulations, 2012 CFR

2012-07-01

... operated at a minimum temperature of 871 °C (1600 °F) and a minimum residence time of 0.75 seconds; or (4... Paper Industry § 63.443 Standards for the pulping system at kraft, soda, and semi-chemical processes. (a...)(ii)(C) of this section. (A) Each knotter system with emissions of 0.05 kilograms or more of total HAP...

40 CFR 63.443 - Standards for the pulping system at kraft, soda, and semi-chemical processes.

Code of Federal Regulations, 2010 CFR

2010-07-01

... operated at a minimum temperature of 871 °C (1600 °F) and a minimum residence time of 0.75 seconds; or (4... Paper Industry § 63.443 Standards for the pulping system at kraft, soda, and semi-chemical processes. (a...)(ii)(C) of this section. (A) Each knotter system with emissions of 0.05 kilograms or more of total HAP...

Chemical Changes in Carbohydrates Produced by Thermal Processing.

ERIC Educational Resources Information Center

Hoseney, R. Carl

1984-01-01

Discusses chemical changes that occur in the carbohydrates found in food products when these products are subjected to thermal processing. Topics considered include browning reactions, starch found in food systems, hydrolysis of carbohydrates, extrusion cooking, processing of cookies and candies, and alterations in gums. (JN)

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

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.

Recent advances in microbial production of fuels and chemicals using tools and strategies of systems metabolic engineering.

PubMed

Cho, Changhee; Choi, So Young; Luo, Zi Wei; Lee, Sang Yup

2015-11-15

The advent of various systems metabolic engineering tools and strategies has enabled more sophisticated engineering of microorganisms for the production of industrially useful fuels and chemicals. Advances in systems metabolic engineering have been made in overproducing natural chemicals and producing novel non-natural chemicals. In this paper, we review the tools and strategies of systems metabolic engineering employed for the development of microorganisms for the production of various industrially useful chemicals belonging to fuels, building block chemicals, and specialty chemicals, in particular focusing on those reported in the last three years. It was aimed at providing the current landscape of systems metabolic engineering and suggesting directions to address future challenges towards successfully establishing processes for the bio-based production of fuels and chemicals from renewable resources. Copyright © 2014 Elsevier Inc. All rights reserved.

THE SECOND GENERATION OF THE WASTE REDUCTION (WAR) ALGORITHM: A DECISION SUPPORT SYSTEM FOR GREENER CHEMICAL PROCESSES

EPA Science Inventory

chemical process designers using simulation software generate alternative designs for one process. One criterion for evaluating these designs is their potential for adverse environmental impacts due to waste generated, energy consumed, and possibilities for fugitive emissions. Co...

Multi-fluid CFD analysis in Process Engineering

NASA Astrophysics Data System (ADS)

Hjertager, B. H.

2017-12-01

An overview of modelling and simulation of flow processes in gas/particle and gas/liquid systems are presented. Particular emphasis is given to computational fluid dynamics (CFD) models that use the multi-dimensional multi-fluid techniques. Turbulence modelling strategies for gas/particle flows based on the kinetic theory for granular flows are given. Sub models for the interfacial transfer processes and chemical kinetics modelling are presented. Examples are shown for some gas/particle systems including flow and chemical reaction in risers as well as gas/liquid systems including bubble columns and stirred tanks.

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.

A CRF-based system for recognizing chemical entity mentions (CEMs) in biomedical literature

PubMed Central

2015-01-01

Background In order to improve information access on chemical compounds and drugs (chemical entities) described in text repositories, it is very crucial to be able to identify chemical entity mentions (CEMs) automatically within text. The CHEMDNER challenge in BioCreative IV was specially designed to promote the implementation of corresponding systems that are able to detect mentions of chemical compounds and drugs, which has two subtasks: CDI (Chemical Document Indexing) and CEM. Results Our system processing pipeline consists of three major components: pre-processing (sentence detection, tokenization), recognition (CRF-based approach), and post-processing (rule-based approach and format conversion). In our post-challenge system, the cost parameter in CRF model was optimized by 10-fold cross validation with grid search, and word representations feature induced by Brown clustering method was introduced. For the CEM subtask, our official runs were ranked in top position by obtaining maximum 88.79% precision, 69.08% recall and 77.70% balanced F-measure, which were improved further to 88.43% precision, 76.48% recall and 82.02% balanced F-measure in our post-challenge system. Conclusions In our system, instead of extracting a CEM as a whole, we regarded it as a sequence labeling problem. Though our current system has much room for improvement, our system is valuable in showing that the performance in term of balanced F-measure can be improved largely by utilizing large amounts of relatively inexpensive un-annotated PubMed abstracts and optimizing the cost parameter in CRF model. From our practice and lessons, if one directly utilizes some open-source natural language processing (NLP) toolkits, such as OpenNLP, Standford CoreNLP, false positive (FP) rate may be very high. It is better to develop some additional rules to minimize the FP rate if one does not want to re-train the related models. Our CEM recognition system is available at: http://www.SciTeMiner.org/XuShuo/Demo/CEM. PMID:25810768

Discrete-Event Simulation in Chemical Engineering.

ERIC Educational Resources Information Center

Schultheisz, Daniel; Sommerfeld, Jude T.

1988-01-01

Gives examples, descriptions, and uses for various types of simulation systems, including the Flowtran, Process, Aspen Plus, Design II, GPSS, Simula, and Simscript. Explains similarities in simulators, terminology, and a batch chemical process. Tables and diagrams are included. (RT)

Control and optimization system

DOEpatents

Xinsheng, Lou

2013-02-12

A system for optimizing a power plant includes a chemical loop having an input for receiving an input parameter (270) and an output for outputting an output parameter (280), a control system operably connected to the chemical loop and having a multiple controller part (230) comprising a model-free controller. The control system receives the output parameter (280), optimizes the input parameter (270) based on the received output parameter (280), and outputs an optimized input parameter (270) to the input of the chemical loop to control a process of the chemical loop in an optimized manner.

Strategies for Stabilizing Nitrogenous Compounds in ECLSS Wastewater: Top-Down System Design and Unit Operation Selection with Focus on Bio-Regenerative Processes for Short and Long Term Scenarios

NASA Technical Reports Server (NTRS)

Lunn, Griffin M.

2011-01-01

Water recycling and eventual nutrient recovery is crucial for surviving in or past low earth orbit. New approaches and syste.m architecture considerations need to be addressed to meet current and future system requirements. This paper proposes a flexible system architecture that breaks down pretreatment , steps into discrete areas where multiple unit operations can be considered. An overview focusing on the urea and ammonia conversion steps allows an analysis on each process's strengths and weaknesses and synergy with upstream and downstream processing. Process technologies to be covered include chemical pretreatment, biological urea hydrolysis, chemical urea hydrolysis, combined nitrification-denitrification, nitrate nitrification, anammox denitrification, and regenerative ammonia absorption through struvite formation. Biological processes are considered mainly for their ability to both maximize water recovery and to produce nutrients for future plant systems. Unit operations can be considered for traditional equivalent system mass requirements in the near term or what they can provide downstream in the form of usable chemicals or nutrients for the long term closed-loop ecological control and life support system. Optimally this would allow a system to meet the former but to support the latter without major modification.

Visualizing Chemistry with Infrared Imaging

ERIC Educational Resources Information Center

Xie, Charles

2011-01-01

Almost all chemical processes release or absorb heat. The heat flow in a chemical system reflects the process it is undergoing. By showing the temperature distribution dynamically, infrared (IR) imaging provides a salient visualization of the process. This paper presents a set of simple experiments based on IR imaging to demonstrate its enormous…

The Global Food System as a Transport Pathway for Hazardous Chemicals: The Missing Link between Emissions and Exposure

PubMed Central

Ng, Carla A.; von Goetz, Natalie

2016-01-01

Background: Food is a major pathway for human exposure to hazardous chemicals. The modern food system is becoming increasingly complex and globalized, but models for food-borne exposure typically assume locally derived diets or use concentrations directly measured in foods without accounting for food origin. Such approaches may not reflect actual chemical intakes because concentrations depend on food origin, and representative analysis is seldom available. Processing, packaging, storage, and transportation also impart different chemicals to food and are not yet adequately addressed. Thus, the link between environmental emissions and realistic human exposure is effectively broken. Objectives: We discuss the need for a fully integrated treatment of the modern industrialized food system, and we propose strategies for using existing models and relevant supporting data sources to track chemicals during production, processing, packaging, storage, and transport. Discussion: Fate and bioaccumulation models describe how chemicals distribute in the environment and accumulate through local food webs. Human exposure models can use concentrations in food to determine body burdens based on individual or population characteristics. New models now include the impacts of processing and packaging but are far from comprehensive. We propose to close the gap between emissions and exposure by utilizing a wider variety of models and data sources, including global food trade data, processing, and packaging models. Conclusions: A comprehensive approach that takes into account the complexity of the modern global food system is essential to enable better prediction of human exposure to chemicals in food, sound risk assessments, and more focused risk abatement strategies. Citation: Ng CA, von Goetz N. 2017. The global food system as a transport pathway for hazardous chemicals: the missing link between emissions and exposure. Environ Health Perspect 125:1–7; http://dx.doi.org/10.1289/EHP168 PMID:27384039

Field programmable chemistry: integrated chemical and electronic processing of informational molecules towards electronic chemical cells.

PubMed

Wagler, Patrick F; Tangen, Uwe; Maeke, Thomas; McCaskill, John S

2012-07-01

The topic addressed is that of combining self-constructing chemical systems with electronic computation to form unconventional embedded computation systems performing complex nano-scale chemical tasks autonomously. The hybrid route to complex programmable chemistry, and ultimately to artificial cells based on novel chemistry, requires a solution of the two-way massively parallel coupling problem between digital electronics and chemical systems. We present a chemical microprocessor technology and show how it can provide a generic programmable platform for complex molecular processing tasks in Field Programmable Chemistry, including steps towards the grand challenge of constructing the first electronic chemical cells. Field programmable chemistry employs a massively parallel field of electrodes, under the control of latched voltages, which are used to modulate chemical activity. We implement such a field programmable chemistry which links to chemistry in rather generic, two-phase microfluidic channel networks that are separated into weakly coupled domains. Electric fields, produced by the high-density array of electrodes embedded in the channel floors, are used to control the transport of chemicals across the hydrodynamic barriers separating domains. In the absence of electric fields, separate microfluidic domains are essentially independent with only slow diffusional interchange of chemicals. Electronic chemical cells, based on chemical microprocessors, exploit a spatially resolved sandwich structure in which the electronic and chemical systems are locally coupled through homogeneous fine-grained actuation and sensor networks and play symmetric and complementary roles. We describe how these systems are fabricated, experimentally test their basic functionality, simulate their potential (e.g. for feed forward digital electrophoretic (FFDE) separation) and outline the application to building electronic chemical cells. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

ENDOCRINE DISRUPTORS IN THE ENVIRONMENT

EPA Science Inventory

The endocrine system produces hormones which are powerful natural chemicals that regulate important life processes. Endocrine disruptors are human-made chemicals distributed globally which have the potential to interfere with the endocrine system and produce serious biological e...

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

Chemical effects in ion mixing of a ternary system (metal-SiO2)

NASA Technical Reports Server (NTRS)

Banwell, T.; Nicolet, M.-A.; Sands, T.; Grunthaner, P. J.

1987-01-01

The mixing of Ti, Cr, and Ni thin films with SiO2 by low-temperature (- 196-25 C) irradiation with 290 keV Xe has been investigated. Comparison of the morphology of the intermixed region and the dose dependences of net metal transport into SiO2 reveals that long range motion and phase formation probably occur as separate and sequential processes. Kinetic limitations suppress chemical effects in these systems during the initial transport process. Chemical interactions influence the subsequent phase formation.

Emissions model of waste treatment operations at the Idaho Chemical Processing Plant

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

Schindler, R.E.

1995-03-01

An integrated model of the waste treatment systems at the Idaho Chemical Processing Plant (ICPP) was developed using a commercially-available process simulation software (ASPEN Plus) to calculate atmospheric emissions of hazardous chemicals for use in an application for an environmental permit to operate (PTO). The processes covered by the model are the Process Equipment Waste evaporator, High Level Liquid Waste evaporator, New Waste Calcining Facility and Liquid Effluent Treatment and Disposal facility. The processes are described along with the model and its assumptions. The model calculates emissions of NO{sub x}, CO, volatile acids, hazardous metals, and organic chemicals. Some calculatedmore » relative emissions are summarized and insights on building simulations are discussed.« less

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

Ampoule Failure System

NASA Technical Reports Server (NTRS)

Watring, Dale A. (Inventor); Johnson, Martin L. (Inventor)

1996-01-01

An ampoule failure system for use in material processing furnaces comprising a containment cartridge and an ampoule failure sensor. The containment cartridge contains an ampoule of toxic material therein and is positioned within a furnace for processing. An ampoule failure probe is positioned in the containment cartridge adjacent the ampoule for detecting a potential harmful release of toxic material therefrom during processing. The failure probe is spaced a predetermined distance from the ampoule and is chemically chosen so as to undergo a timely chemical reaction with the toxic material upon the harmful release thereof. The ampoule failure system further comprises a data acquisition system which is positioned externally of the furnace and is electrically connected to the ampoule failure probe so as to form a communicating electrical circuit. The data acquisition system includes an automatic shutdown device for shutting down the furnace upon the harmful release of toxic material. It also includes a resistance measuring device for measuring the resistance of the failure probe during processing. The chemical reaction causes a step increase in resistance of the failure probe whereupon the automatic shutdown device will responsively shut down the furnace.

Using a Laboratory Simulator in the Teaching and Study of Chemical Processes in Estuarine Systems

ERIC Educational Resources Information Center

Garcia-Luque, E.; Ortega, T.; Forja, J. M.; Gomez-Parra, A.

2004-01-01

The teaching of Chemical Oceanography in the Faculty of Marine and Environmental Sciences of the University of Cadiz (Spain) has been improved since 1994 by the employment of a device for the laboratory simulation of estuarine mixing processes and the characterisation of the chemical behaviour of many substances that pass through an estuary. The…

Process Feasibility Study in Support of Silicon Material, Task 1

NASA Technical Reports Server (NTRS)

Li, K. Y.; Hansen, K. C.; Yaws, C. L.

1979-01-01

During this reporting period, major activies were devoted to process system properties, chemical engineering and economic analyses. Analyses of process system properties was continued for materials involved in the alternate processes under consideration for solar cell grade silicon. The following property data are reported for silicon tetrafluoride: critical constants, vapor pressure, heat of varporization, heat capacity, density, surface tension, viscosity, thermal conductivity, heat of formation and Gibb's free energy of formation. Chemical engineering analysis of the BCL process was continued with primary efforts being devoted to the preliminary process design. Status and progress are reported for base case conditions; process flow diagram; reaction chemistry; material and energy balances; and major process equipment design.

Coupling biology and oceanography in models.

PubMed

Fennel, W; Neumann, T

2001-08-01

The dynamics of marine ecosystems, i.e. the changes of observable chemical-biological quantities in space and time, are driven by biological and physical processes. Predictions of future developments of marine systems need a theoretical framework, i.e. models, solidly based on research and understanding of the different processes involved. The natural way to describe marine systems theoretically seems to be the embedding of chemical-biological models into circulation models. However, while circulation models are relatively advanced the quantitative theoretical description of chemical-biological processes lags behind. This paper discusses some of the approaches and problems in the development of consistent theories and indicates the beneficial potential of the coupling of marine biology and oceanography in models.

HYPER-­TVT: Development and Implementation of an Interactive Learning Environment for Students of Chemical and Process Engineering

ERIC Educational Resources Information Center

Santoro, Marina; Mazzotti, Marco

2006-01-01

Hyper-TVT is a computer-aided education system that has been developed at the Institute of Process Engineering at the ETH Zurich. The aim was to create an interactive learning environment for chemical and process engineering students. The topics covered are the most important multistage separation processes, i.e. fundamentals of separation…

Report of work done for technical assistance agreement 1269 between Sandia National Laboratories and the Watkins-Johnson Company: Chemical reaction mechanisms for computational models of SiO{sub 2} CVD

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

Ho, P.; Johannes, J.; Kudriavtsev, V.

The use of computational modeling to improve equipment and process designs for chemical vapor deposition (CVD) reactors is becoming increasingly common. Commercial codes are available that facilitate the modeling of chemically-reacting flows, but chemical reaction mechanisms must be separately developed for each system of interest. One f the products of the Watkins-Johnson Company (WJ) is a reactor marketed to semiconductor manufacturers for the atmospheric-pressure chemical vapor deposition (APCVD) of silicon oxide films. In this process, TEOS (tetraethoxysilane, Si(OC{sub 2}H{sub 5}){sub 4}) and ozone (O{sub 3}) are injected (in nitrogen and oxygen carrier gases) over hot silicon wafers that are beingmore » carried through the system on a moving belt. As part of their equipment improvement process, WJ is developing computational models of this tool. In this effort, they are collaborating with Sandia National Laboratories (SNL) to draw on Sandia`s experience base in understanding and modeling the chemistry of CVD processes.« less

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...

A polarization system for persistent chemical detection

NASA Astrophysics Data System (ADS)

Craven-Jones, Julia; Appelhans, Leah; Couphos, Eric; Embree, Todd; Finnegan, Patrick; Goldstein, Dennis; Karelitz, David; LaCasse, Charles; Luk, Ting S.; Mahamat, Adoum; Massey, Lee; Tanbakuchi, Anthony; Washburn, Cody; Vigil, Steven

2015-09-01

We report on the development of a prototype polarization tag based system for detecting chemical vapors. The system primarily consists of two components, a chemically sensitive tag that experiences a change in its optical polarization properties when exposed to a specific chemical of interest, and an optical imaging polarimeter that is used to measure the polarization properties of the tags. Although the system concept could be extended to other chemicals, for the initial system prototype presented here the tags were developed to be sensitive to hydrogen fluoride (HF) vapors. HF is used in many industrial processes but is highly toxic and thus monitoring for its presence and concentration is often of interest for personnel and environmental safety. The tags are periodic multilayer structures that are produced using standard photolithographic processes. The polarimetric imager has been designed to measure the degree of linear polarization reflected from the tags in the short wave infrared. By monitoring the change in the reflected polarization signature from the tags, the polarimeter can be used to determine if the tag was exposed to HF gas. In this paper, a review of the system development effort and preliminary test results are presented and discussed, as well as our plan for future work.

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

Fuzzy logic control and optimization system

DOEpatents

Lou, Xinsheng [West Hartford, CT

2012-04-17

A control system (300) for optimizing a power plant includes a chemical loop having an input for receiving an input signal (369) and an output for outputting an output signal (367), and a hierarchical fuzzy control system (400) operably connected to the chemical loop. The hierarchical fuzzy control system (400) includes a plurality of fuzzy controllers (330). The hierarchical fuzzy control system (400) receives the output signal (367), optimizes the input signal (369) based on the received output signal (367), and outputs an optimized input signal (369) to the input of the chemical loop to control a process of the chemical loop in an optimized manner.

Human life support during interplanetary travel and domicile. VI - Generic modular flow schematic for hybrid physical/chemical-biological life support systems

NASA Technical Reports Server (NTRS)

Ganapathi, Gani B.; Seshan, P. K.; Ferrall, Joseph; Rohatgi, Naresh

1992-01-01

An extension is proposed for the NASA Space Exploration Initiative's Generic Modular Flow Schematics for physical/chemical life support systems which involves the addition of biological processes. The new system architecture includes plant, microbial, and animal habitat, as well as the human habitat subsystem. Major Feedstock Production and Food Preparation and Packaging components have also been incorporated. Inedible plant, aquaculture, microbial, and animal solids are processed for recycling.

Production of chemicals and fuels from biomass

DOEpatents

Woods, Elizabeth; Qiao, Ming; Myren, Paul; Cortright, Randy D.; Kania, John

2015-12-15

Described are methods, reactor systems, and catalysts for converting biomass to fuels and chemicals in a batch and/or continuous process. The process generally involves the conversion of water insoluble components of biomass, such as hemicellulose, cellulose and lignin, to volatile C.sub.2+O.sub.1-2 oxygenates, such as alcohols, ketones, cyclic ethers, esters, carboxylic acids, aldehydes, and mixtures thereof. In certain applications, the volatile C.sub.2+O.sub.1-2 oxygenates can be collected and used as a final chemical product, or used in downstream processes to produce liquid fuels, chemicals and other products.

Microelectrode voltammetry of multi-electron transfers complicated by coupled chemical equilibria: a general theory for the extended square scheme.

PubMed

Laborda, Eduardo; Gómez-Gil, José María; Molina, Angela

2017-06-28

A very general and simple theoretical solution is presented for the current-potential-time response of reversible multi-electron transfer processes complicated by homogeneous chemical equilibria (the so-called extended square scheme). The expressions presented here are applicable regardless of the number of electrons transferred and coupled chemical processes, and they are particularized for a wide variety of microelectrode geometries. The voltammetric response of very different systems presenting multi-electron transfers is considered for the most widely-used techniques (namely, cyclic voltammetry, square wave voltammetry, differential pulse voltammetry and steady state voltammetry), studying the influence of the microelectrode geometry and the number and thermodynamics of the (electro)chemical steps. Most appropriate techniques and procedures for the determination of the 'interaction' between successive transfers are discussed. Special attention is paid to those situations where homogeneous chemical processes, such as protonation, complexation or ion association, affect the electrochemical behaviour of the system by different stabilization of the oxidation states.

Design and development of a space station hazardous material system for assessing chemical compatibility

NASA Technical Reports Server (NTRS)

Congo, Richard T.

1990-01-01

As the Space Station nears reality in funding support from Congress, NASA plans to perform over a hundred different missions in the coming decade. Incrementally deployed, the Space Station will evolve into modules linked to an integral structure. Each module will have characteristic functions, such as logistics, habitation, and materials processing. Because the Space Station is to be user friendly for experimenters, NASA is anticipating that a variety of different chemicals will be taken on-board. Accidental release of these potentially toxic chemicals and their chemical compatibility is the focus of this discourse. The Microgravity Manufacturing Processing Facility (MMPF) will contain the various facilities within the U.S. Laboratory (USL). Each facility will have a characteristic purpose, such as alloy solidification or vapor crystal growth. By examining the proposed experiments for each facility, identifying the chemical constituents, their physical state and/or changes, byproducts and effluents, those payloads can be identified which may contain toxic, explosive, or reactive compounds that require processing or containment in mission peculiar waste management systems. Synergistic reactions from mixed effluent streams is of major concern. Each experiment will have it own data file, complete with schematic, chemical listing, physical data, etc. Chemical compatibility information from various databases will provide assistance in the analysis of alternate disposal techniques (pretreatment, separate storage, etc.). Along with data from the Risk Analysis of the Proposed USL Waste Management System, accidental release of potentially toxic and catastrophic chemicals would be eliminated or reduced.

Self-assembled lipid bilayer materials

DOEpatents

Sasaki, Darryl Y.; Waggoner, Tina A.; Last, Julie A.

2005-11-08

The present invention is a self-assembling material comprised of stacks of lipid bilayers formed in a columnar structure, where the assembly process is mediated and regulated by chemical recognition events. The material, through the chemical recognition interactions, has a self-regulating system that corrects the radial size of the assembly creating a uniform diameter throughout most of the structure. The materials form and are stable in aqueous solution. These materials are useful as structural elements for the architecture of materials and components in nanotechnology, efficient light harvesting systems for optical sensing, chemical processing centers, and drug delivery vehicles.

Numerical simulation of the interaction of transport, diffusion and chemical reactions in an urban plume

NASA Technical Reports Server (NTRS)

Vogel, Bernhard; Vogel, Heike; Fiedler, Franz

1994-01-01

A model system is presented that takes into account the main physical and chemical processes on the regional scale here in an area of 100x100 sq km. The horizontal gridsize used is 2x2 sq km. For a case study, it is demonstrated how the model system can be used to separate the contributions of the processes advection, turbulent diffusion, and chemical reactions to the diurnal cycle of ozone. In this way, typical features which are visible in observations and are reproduced by the numerical simulations can be interpreted.

Hydrothermal Gasification for Waste to Energy

NASA Astrophysics Data System (ADS)

Epps, Brenden; Laser, Mark; Choo, Yeunun

2014-11-01

Hydrothermal gasification is a promising technology for harvesting energy from waste streams. Applications range from straightforward waste-to-energy conversion (e.g. municipal waste processing, industrial waste processing), to water purification (e.g. oil spill cleanup, wastewater treatment), to biofuel energy systems (e.g. using algae as feedstock). Products of the gasification process are electricity, bottled syngas (H2 + CO), sequestered CO2, clean water, and inorganic solids; further chemical reactions can be used to create biofuels such as ethanol and biodiesel. We present a comparison of gasification system architectures, focusing on efficiency and economic performance metrics. Various system architectures are modeled computationally, using a model developed by the coauthors. The physical model tracks the mass of each chemical species, as well as energy conversions and transfers throughout the gasification process. The generic system model includes the feedstock, gasification reactor, heat recovery system, pressure reducing mechanical expanders, and electricity generation system. Sensitivity analysis of system performance to various process parameters is presented. A discussion of the key technological barriers and necessary innovations is also presented.

Hierarchical optimal control of large-scale nonlinear chemical processes.

PubMed

Ramezani, Mohammad Hossein; Sadati, Nasser

2009-01-01

In this paper, a new approach is presented for optimal control of large-scale chemical processes. In this approach, the chemical process is decomposed into smaller sub-systems at the first level, and a coordinator at the second level, for which a two-level hierarchical control strategy is designed. For this purpose, each sub-system in the first level can be solved separately, by using any conventional optimization algorithm. In the second level, the solutions obtained from the first level are coordinated using a new gradient-type strategy, which is updated by the error of the coordination vector. The proposed algorithm is used to solve the optimal control problem of a complex nonlinear chemical stirred tank reactor (CSTR), where its solution is also compared with the ones obtained using the centralized approach. The simulation results show the efficiency and the capability of the proposed hierarchical approach, in finding the optimal solution, over the centralized method.

Tautomerism in chemical information management systems

NASA Astrophysics Data System (ADS)

Warr, Wendy A.

2010-06-01

Tautomerism has an impact on many of the processes in chemical information management systems including novelty checking during registration into chemical structure databases; storage of structures; exact and substructure searching in chemical structure databases; and depiction of structures retrieved by a search. The approaches taken by 27 different software vendors and database producers are compared. It is hoped that this comparison will act as a discussion document that could ultimately improve databases and software for researchers in the future.

40 CFR 418.51 - Specialized definitions.

Code of Federal Regulations, 2014 CFR

2014-07-01

... STANDARDS FERTILIZER MANUFACTURING POINT SOURCE CATEGORY Nitric Acid Subcategory § 418.51 Specialized... chemicals but which may on the occasion of corrosion, cooling system leakage or similar cooling system failures contain small amounts of process chemicals: Provided, That all reasonable measures have been taken...

40 CFR 418.51 - Specialized definitions.

Code of Federal Regulations, 2013 CFR

2013-07-01

... STANDARDS FERTILIZER MANUFACTURING POINT SOURCE CATEGORY Nitric Acid Subcategory § 418.51 Specialized... chemicals but which may on the occasion of corrosion, cooling system leakage or similar cooling system failures contain small amounts of process chemicals: Provided, That all reasonable measures have been taken...

40 CFR 418.51 - Specialized definitions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... STANDARDS FERTILIZER MANUFACTURING POINT SOURCE CATEGORY Nitric Acid Subcategory § 418.51 Specialized... chemicals but which may on the occasion of corrosion, cooling system leakage or similar cooling system failures contain small amounts of process chemicals: Provided, That all reasonable measures have been taken...

40 CFR 418.51 - Specialized definitions.

Code of Federal Regulations, 2011 CFR

2011-07-01

... STANDARDS FERTILIZER MANUFACTURING POINT SOURCE CATEGORY Nitric Acid Subcategory § 418.51 Specialized... chemicals but which may on the occasion of corrosion, cooling system leakage or similar cooling system failures contain small amounts of process chemicals: Provided, That all reasonable measures have been taken...

40 CFR 418.51 - Specialized definitions.

Code of Federal Regulations, 2012 CFR

2012-07-01

... AND STANDARDS FERTILIZER MANUFACTURING POINT SOURCE CATEGORY Nitric Acid Subcategory § 418.51... chemicals but which may on the occasion of corrosion, cooling system leakage or similar cooling system failures contain small amounts of process chemicals: Provided, That all reasonable measures have been taken...

EXPOSURE METHODOLOGIES AND SYSTEMS FOR LONG-TERM CHEMICAL CARCINOGENICITY STUDIES WITH SMALL FISH SPECIES

EPA Science Inventory

Testing waterborne chemical carcinogens in fish models requires accurate, reliable, and reproducible exposures. Because carcinogenesis is a chronic toxicological process and is often associated with prolonged latency periods, systems must accommodate lengthy in-life test periods ...

Biosynthesis of indigo using recombinant E. coli: Development of a biological system for the cost-effective production of a large volume chemical

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

Berry, A.; Battist, S.; Chotani, G.

1995-11-01

Cost-effective production of any large-volume chemical by fermentation requires extensive manipulation of both the production organism and the fermentation and recovery processes. We have developed a recombinant E. coli system for the production of tryptophan and several other products derived from the aromatic amino acid pathway. By linking our technology for low-cost production of tryptophan from glucose with the enzyme naphthalene dioxygenase (NDO), we have achieved an overall process for the production of indigo dye from glucose. To successfully join these two technologies, both the tryptophan pathway and NDO were extensively modified via genetic engineering. In addition, systems were developedmore » to remove deleterious by-products generated during the chemical oxidations leading to indigo formation. Low-cost fermentation processes were developed that utilized minimal-salts media containing glucose as the sole carbon source. Finally, economical recovery processes were used that preserved the environmental friendliness of the biosynthetic route to indigo.« less

Non-chemically amplified 248-nm resist materials

NASA Astrophysics Data System (ADS)

Willson, C. Grant; Yueh, Wang; Leeson, Michael J.; Steinhausler, Thomas; McAdams, Christopher L.; Dammel, Ralph R.; Sounik, James R.; Aslam, M.; Vicari, Richard; Sheehan, Michael

1997-07-01

Remarkable progress has been made in the formulation of chemically amplified resists for deep-UV (DUV or 248 nm) lithography. These materials are now in general use in full scale manufacturing. One of the deterrents to rapid and universal adoption of DUV lithography has been the combination of high cost of ownership and a narrow process latitude when compared to conventional i-line process alternatives. A significant part of the high cost of the DUV process is associated with installing and maintaining special air handling equipment that is required to remove basic contaminants from the ambient. Manufacture process latitude demands this special air handling. The chemically amplified resists were developed originally to support mercury lamp powered exposure systems. The sensitivity realized by chemical amplification is required to enable useful productivity with such systems that generate very little DUV flux at the wafer plane. With the advent of high powered excimer laser based illumination systems for 248 nm steppers and step-and-scan systems, it is appropriate to re-examine the applicability of non-chemically amplified DUV resist systems. These systems are less sensitive but have the potential to offer both lower cost of ownership and improved process latitude. A series of photoactive compounds (PACs) have been synthesized and auditioned for use in the formulation of a non-chemically amplified 248 nm resist. The most promising of these materials are analogs of 3-oxo-3-diazocoumarin. This chromophore displays photochemistry that is analogous to that of the diazonaphthoquinones (DNQ) that are the basis of i-line resist formulations, but it bleaches at 248 nm. Several structural analogs of the chromophore have been synthesized and a variety of ballast groups have been studied with the goal of enhancing the dissolution inhibition properties of the molecule. The diazocoumarin PACs have been formulated with customized phenolic resins that were designed to provide the combination of optical transparency, dry etch resistance and the dissolution characteristics that are required for manufacturing applications. The resins are copolymers of poly(4-hydroxystyrene) and blends of these polymers with novolac.

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.

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

Chemical reaction path modeling of hydrothermal processes on Mars: Preliminary results

NASA Technical Reports Server (NTRS)

Plumlee, Geoffrey S.; Ridley, W. Ian

1992-01-01

Hydrothermal processes are thought to have had significant roles in the development of surficial mineralogies and morphological features on Mars. For example, a significant proportion of the Martian soil could consist of the erosional products of hydrothermally altered impact melt sheets. In this model, impact-driven, vapor-dominated hydrothermal systems hydrothermally altered the surrounding rocks and transported volatiles such as S and Cl to the surface. Further support for impact-driven hydrothermal alteration on Mars was provided by studies of the Ries crater, Germany, where suevite deposits were extensively altered to montmorillonite clays by inferred low-temperature (100-130 C) hydrothermal fluids. It was also suggested that surface outflow from both impact-driven and volcano-driven hydrothermal systems could generate the valley networks, thereby eliminating the need for an early warm wet climate. We use computer-driven chemical reaction path calculation to model chemical processes which were likely associated with postulated Martian hydrothermal systems.

Dynamic Modeling of Process Technologies for Closed-Loop Water Recovery Systems

NASA Technical Reports Server (NTRS)

Allada, Rama Kumar; Lange, Kevin; Anderson, Molly

2011-01-01

Detailed chemical process simulations are a useful tool in designing and optimizing complex systems and architectures for human life support. Dynamic and steady-state models of these systems help contrast the interactions of various operating parameters and hardware designs, which become extremely useful in trade-study analyses. NASA s Exploration Life Support technology development project recently made use of such models to compliment a series of tests on different waste water distillation systems. This paper presents dynamic simulations of chemical process for primary processor technologies including: the Cascade Distillation System (CDS), the Vapor Compression Distillation (VCD) system, the Wiped-Film Rotating Disk (WFRD), and post-distillation water polishing processes such as the Volatiles Removal Assembly (VRA) that were developed using the Aspen Custom Modeler and Aspen Plus process simulation tools. The results expand upon previous work for water recovery technology models and emphasize dynamic process modeling and results. The paper discusses system design, modeling details, and model results for each technology and presents some comparisons between the model results and available test data. Following these initial comparisons, some general conclusions and forward work are discussed.

A versatile soft X-ray transmission system for time resolved in situ microscopy with chemical contrast.

PubMed

Forsberg, J; Englund, C-J; Duda, L-C

2009-08-01

We present the design and operation of a versatile soft X-ray transmission system for time resolved in situ microscopy with chemical contrast. The utility of the setup is demonstrated by results from following a corrosion process of iron in saline environment, subjected to a controlled humid atmosphere. The system includes a transmission flow-cell reactor that allows for in situ microscopic probing with soft X-rays. We employ a full field technique by using a nearly collimated X-ray beam that produces an unmagnified projection of the transmitted soft X-rays (below 1.1 keV) which is magnified and recorded by an optical CCD camera. Time lapse series with chemical contrast allow us to follow and interpret the chemical processes in detail. The obtainable lateral resolution is a few mum, sufficient to detect filiform corrosion on iron.

Use of high content image analysis to detect chemical-induced changes in synaptogenesis in vitro

EPA Science Inventory

Synaptogenesis is a critical process in nervous system development whereby neurons establish specialized contact sites which facilitate neurotransmission. There is evidence that early life exposure to chemicals can result in persistent deficits in nervous system function, cogniti...

ECO LOGIC INTERNATIONAL GAS-PHASE CHEMICAL REDUCTION PROCESS - THE REACTOR SYSTEM - APPLICATIONS ANALYSIS REPORT

EPA Science Inventory

The ELI Eco Logic International Inc. (Eco Logic) process thermally separates organics, then chemically reduces them in a hydrogen atmosphere, converting them to a reformed gas that consists of light hydrocarbons and water. A scrubber treats the reformed gas to remove hydrogen chl...

Thermodynamic responses of electronic systems.

PubMed

Franco-Pérez, Marco; Ayers, Paul W; Gázquez, José L; Vela, Alberto

2017-09-07

We present how the framework of the temperature-dependent chemical reactivity theory can describe the panorama of different types of interactions between an electronic system and external reagents. The key reactivity indicators are responses of an appropriate state function (like the energy or grand potential) to the variables that determine the state of the system (like the number of electrons/chemical potential, external potential, and temperature). We also consider the response of the average electron density to appropriate perturbations. We present computable formulas for these reactivity indicators and discuss their chemical utility for describing electronic, electrostatic, and thermal changes associated with chemical processes.

Thermodynamic responses of electronic systems

NASA Astrophysics Data System (ADS)

Franco-Pérez, Marco; Ayers, Paul W.; Gázquez, José L.; Vela, Alberto

2017-09-01

We present how the framework of the temperature-dependent chemical reactivity theory can describe the panorama of different types of interactions between an electronic system and external reagents. The key reactivity indicators are responses of an appropriate state function (like the energy or grand potential) to the variables that determine the state of the system (like the number of electrons/chemical potential, external potential, and temperature). We also consider the response of the average electron density to appropriate perturbations. We present computable formulas for these reactivity indicators and discuss their chemical utility for describing electronic, electrostatic, and thermal changes associated with chemical processes.

Rock fracture processes in chemically reactive environments

NASA Astrophysics Data System (ADS)

Eichhubl, P.

2015-12-01

Rock fracture is traditionally viewed as a brittle process involving damage nucleation and growth in a zone ahead of a larger fracture, resulting in fracture propagation once a threshold loading stress is exceeded. It is now increasingly recognized that coupled chemical-mechanical processes influence fracture growth in wide range of subsurface conditions that include igneous, metamorphic, and geothermal systems, and diagenetically reactive sedimentary systems with possible applications to hydrocarbon extraction and CO2 sequestration. Fracture processes aided or driven by chemical change can affect the onset of fracture, fracture shape and branching characteristics, and fracture network geometry, thus influencing mechanical strength and flow properties of rock systems. We are investigating two fundamental modes of chemical-mechanical interactions associated with fracture growth: 1. Fracture propagation may be aided by chemical dissolution or hydration reactions at the fracture tip allowing fracture propagation under subcritical stress loading conditions. We are evaluating effects of environmental conditions on critical (fracture toughness KIc) and subcritical (subcritical index) fracture properties using double torsion fracture mechanics tests on shale and sandstone. Depending on rock composition, the presence of reactive aqueous fluids can increase or decrease KIc and/or subcritical index. 2. Fracture may be concurrent with distributed dissolution-precipitation reactions in the hostrock beyond the immediate vicinity of the fracture tip. Reconstructing the fracture opening history recorded in crack-seal fracture cement of deeply buried sandstone we find that fracture length growth and fracture opening can be decoupled, with a phase of initial length growth followed by a phase of dominant fracture opening. This suggests that mechanical crack-tip failure processes, possibly aided by chemical crack-tip weakening, and distributed solution-precipitation creep in the hostrock can independently affect fracture opening displacement and thus fracture aperture profiles and aperture distribution.

Functional annotation of chemical libraries across diverse biological processes.

PubMed

Piotrowski, Jeff S; Li, Sheena C; Deshpande, Raamesh; Simpkins, Scott W; Nelson, Justin; Yashiroda, Yoko; Barber, Jacqueline M; Safizadeh, Hamid; Wilson, Erin; Okada, Hiroki; Gebre, Abraham A; Kubo, Karen; Torres, Nikko P; LeBlanc, Marissa A; Andrusiak, Kerry; Okamoto, Reika; Yoshimura, Mami; DeRango-Adem, Eva; van Leeuwen, Jolanda; Shirahige, Katsuhiko; Baryshnikova, Anastasia; Brown, Grant W; Hirano, Hiroyuki; Costanzo, Michael; Andrews, Brenda; Ohya, Yoshikazu; Osada, Hiroyuki; Yoshida, Minoru; Myers, Chad L; Boone, Charles

2017-09-01

Chemical-genetic approaches offer the potential for unbiased functional annotation of chemical libraries. Mutations can alter the response of cells in the presence of a compound, revealing chemical-genetic interactions that can elucidate a compound's mode of action. We developed a highly parallel, unbiased yeast chemical-genetic screening system involving three key components. First, in a drug-sensitive genetic background, we constructed an optimized diagnostic mutant collection that is predictive for all major yeast biological processes. Second, we implemented a multiplexed (768-plex) barcode-sequencing protocol, enabling the assembly of thousands of chemical-genetic profiles. Finally, based on comparison of the chemical-genetic profiles with a compendium of genome-wide genetic interaction profiles, we predicted compound functionality. Applying this high-throughput approach, we screened seven different compound libraries and annotated their functional diversity. We further validated biological process predictions, prioritized a diverse set of compounds, and identified compounds that appear to have dual modes of action.

7 CFR 2900.3 - Essential agricultural uses.

Code of Federal Regulations, 2011 CFR

2011-01-01

...). 4971Irrigation Systems. Fertilizer and Agricultural Chemicals (Process and Feedstock Use Only) 1474Potash, Soda, and Borate Materials. 1475Phosphate Rock. 1477Sulfur. 2819Industrial Inorganic Chemicals, n.e.c... related only). 2869Industrial Organic Chemicals, n.e.c. (Agricutural related only). 287Agricultural...

7 CFR 2900.3 - Essential agricultural uses.

Code of Federal Regulations, 2012 CFR

2012-01-01

...). 4971Irrigation Systems. Fertilizer and Agricultural Chemicals (Process and Feedstock Use Only) 1474Potash, Soda, and Borate Materials. 1475Phosphate Rock. 1477Sulfur. 2819Industrial Inorganic Chemicals, n.e.c... related only). 2869Industrial Organic Chemicals, n.e.c. (Agricutural related only). 287Agricultural...

7 CFR 2900.3 - Essential agricultural uses.

Code of Federal Regulations, 2013 CFR

2013-01-01

...). 4971Irrigation Systems. Fertilizer and Agricultural Chemicals (Process and Feedstock Use Only) 1474Potash, Soda, and Borate Materials. 1475Phosphate Rock. 1477Sulfur. 2819Industrial Inorganic Chemicals, n.e.c... related only). 2869Industrial Organic Chemicals, n.e.c. (Agricutural related only). 287Agricultural...

7 CFR 2900.3 - Essential agricultural uses.

Code of Federal Regulations, 2014 CFR

2014-01-01

...). 4971Irrigation Systems. Fertilizer and Agricultural Chemicals (Process and Feedstock Use Only) 1474Potash, Soda, and Borate Materials. 1475Phosphate Rock. 1477Sulfur. 2819Industrial Inorganic Chemicals, n.e.c... related only). 2869Industrial Organic Chemicals, n.e.c. (Agricutural related only). 287Agricultural...

A Chemical Properties Simulator to Support Integrated Environmental Modeling

EPA Science Inventory

Users of Integrated Environmental Modeling (IEM) systems are responsible for defining individual chemicals and their properties, a process that is time-consuming at best and overwhelming at worst, especially for new chemicals with new structures. A software tool is needed to allo...

Technologies for Upgrading Light Water Reactor Outlet Temperature

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

Daniel S. Wendt; Piyush Sabharwall; Vivek Utgikar

Nuclear energy could potentially be utilized in hybrid energy systems to produce synthetic fuels and feedstocks from indigenous carbon sources such as coal and biomass. First generation nuclear hybrid energy system (NHES) technology will most likely be based on conventional light water reactors (LWRs). However, these LWRs provide thermal energy at temperatures of approximately 300°C, while the desired temperatures for many chemical processes are much higher. In order to realize the benefits of nuclear hybrid energy systems with the current LWR reactor fleets, selection and development of a complimentary temperature upgrading technology is necessary. This paper provides an initial assessmentmore » of technologies that may be well suited toward LWR outlet temperature upgrading for powering elevated temperature industrial and chemical processes during periods of off-peak power demand. Chemical heat transformers (CHTs) are a technology with the potential to meet LWR temperature upgrading requirements for NHESs. CHTs utilize chemical heat of reaction to change the temperature at which selected heat sources supply or consume thermal energy. CHTs could directly utilize LWR heat output without intermediate mechanical or electrical power conversion operations and the associated thermodynamic losses. CHT thermal characteristics are determined by selection of the chemical working pair and operating conditions. This paper discusses the chemical working pairs applicable to LWR outlet temperature upgrading and the CHT operating conditions required for providing process heat in NHES applications.« less

Operational atmospheric modeling system CARIS for effective emergency response associated with hazardous chemical releases in Korea.

PubMed

Kim, Cheol-Hee; Park, Jin-Ho; Park, Cheol-Jin; Na, Jin-Gyun

2004-03-01

The Chemical Accidents Response Information System (CARIS) was developed at the Center for Chemical Safety Management in South Korea in order to track and predict the dispersion of hazardous chemicals in the case of an accident or terrorist attack involving chemical companies. The main objective of CARIS is to facilitate an efficient emergency response to hazardous chemical accidents by rapidly providing key information in the decision-making process. In particular, the atmospheric modeling system implemented in CARIS, which is composed of a real-time numerical weather forecasting model and an air pollution dispersion model, can be used as a tool to forecast concentrations and to provide a wide range of assessments associated with various hazardous chemicals in real time. This article introduces the components of CARIS and describes its operational modeling system. Some examples of the operational modeling system and its use for emergency preparedness are presented and discussed. Finally, this article evaluates the current numerical weather prediction model for Korea.

Characterization of modified zeolite as microbial immobilization media on POME anaerobic digestion

NASA Astrophysics Data System (ADS)

Cahyono, Rochim B.; Ismiyati, Sri; Ginting, Simparmin Br; Mellyanawaty, Melly; Budhijanto, Wiratni

2018-03-01

As the world’s biggest palm oil producer, Indonesia generates also huge amount of Palm Oil Mill Effluent (POME) wastewater and causes serious problem in environment. In conventional method, POME was converted into biogas using lagoon system which required extensive land area. Anaerobic Fluidized Bed Reactor (AFBR) proposes more effective biogas producing with smaller land area. In the proposed system, a immobilization media would be main factor for enhancing productivity. This research studied on characterization of Lampung natural zeolite as immobilization media in the AFBR system for POME treatment. Various activation method such as physical and chemical were attempted to create more suitable material which has larger surface area, pore size distribution as well as excellent surface structures. The physical method was applied by heating up the material till 400°C while HCl was used on the chemical activation. Based on the result, the chemical activation increased the surface area significantly into 71 m2/g compared to physical as well as original zeolite. The strong acid material was quite effective to enforce the impurities within zeolite pore structure compared to heating up the material. According to distribution data, the Lampung zeolite owned the pore size with the range of 3 – 5 μm which was mesopore material. The pore size was appropriate for immobilization media as it was smaller than size of biogas microbial. The XRD patterns verified that chemical activation could maintain the zeolite structure as the original. Obviously, the SEM photograph showed apparent structure and pore size on the modified zeolite using chemical method. The testing of modified zeolite on the batch system was done to evaluate the characterization process. The modified zeolite using chemical process resulted fast reduction of COD and stabilized the volatile fatty acid as the intermediate product of anaerobic digestion, especially in the beginning of the process. Therefore, the chemical activation process was most suitable to produce the immobilization media from Lampung natural zeolite for POME waste treatment

Production of chemicals and fuels from biomass

DOEpatents

Qiao, Ming; Woods, Elizabeth; Myren, Paul; Cortright, Randy; Kania, John

2018-01-23

Methods, reactor systems, and catalysts are provided for converting in a continuous process biomass to fuels and chemicals, including methods of converting the water insoluble components of biomass, such as hemicellulose, cellulose and lignin, to volatile C.sub.2+O.sub.1-2 oxygenates, such as alcohols, ketones, cyclic ethers, esters, carboxylic acids, aldehydes, and mixtures thereof. In certain applications, the volatile C.sub.2+O.sub.1-2 oxygenates can be collected and used as a final chemical product, or used in downstream processes to produce liquid fuels, chemicals and other products.

Controlled membrane translocation provides a mechanism for signal transduction and amplification

NASA Astrophysics Data System (ADS)

Langton, Matthew J.; Keymeulen, Flore; Ciaccia, Maria; Williams, Nicholas H.; Hunter, Christopher A.

2017-05-01

Transmission and amplification of chemical signals across lipid bilayer membranes is of profound significance in many biological processes, from the development of multicellular organisms to information processing in the nervous system. In biology, membrane-spanning proteins are responsible for the transmission of chemical signals across membranes, and signal transduction is often associated with an amplified signalling cascade. The ability to reproduce such processes in artificial systems has potential applications in sensing, controlled drug delivery and communication between compartments in tissue-like constructs of synthetic vesicles. Here we describe a mechanism for transmitting a chemical signal across a membrane based on the controlled translocation of a synthetic molecular transducer from one side of a lipid bilayer membrane to the other. The controlled molecular motion has been coupled to the activation of a catalyst on the inside of a vesicle, which leads to a signal-amplification process analogous to the biological counterpart.

Strategic of Applying Free Chemical Usage In Purified Water System For Pharmaceutical Industry Toward CPOB (Cara Pembuatan Obat yang Baik) Indonesia To Reducing Environmental Pollution

NASA Astrophysics Data System (ADS)

Kartono, R.; Basuki, Y. T.

2014-03-01

The purpose of this paper is to examine the sets of model and literature review to prove that strategy of applying free chemical usage in purified water system for pharmaceutical industry would be help the existing and new pharmaceutical companies to comply with part of Natioanal Agency of Drug and Food Control / Badan Pengawas Obat dan Makanan (NADFC/BPOM) regulation in order to achieve "Cara Pembuatan Obat yang Baik" (CPOB) of Indonesia pharmaceutical industry. One of the main reasons is when we figured out the number of Indonesian pharmaceutical industries in 2012 are kept reducing compare to the increasing numbers of Indonesian population growth. This strategy concept also might help the industries to reducing environmental pollution, and operational cost in pharmaceutical industries, by reducing of the chemical usage for water treatment process in floculation and cougulation and chlorination for sterillization. This new model is free usage of chemicals for purified water generation system process and sterilization. The concept offering of using membrane technology- Reverse Osmosis (RO) membrane base treatment to replace traditional chemical base treatment, following enhance Electrodeionization (EDI) as final polisher for controlling conductivity, and finally Ultra Violet (UV) disinfectant technology as final guard for bacteria controls instead of chemical base system in purified water generation system.

Analytical considerations and dimensionless analysis for a description of particle interactions in high pressure processes

NASA Astrophysics Data System (ADS)

Rauh, Cornelia; Delgado, Antonio

2010-12-01

High pressures of up to several hundreds of MPa are utilized in a wide range of applications in chemical, bio-, and food engineering, aiming at selective control of (bio-)chemical reactions. Non-uniformity of process conditions may threaten the safety and quality of the resulting products because processing conditions such as pressure, temperature, and treatment history are crucial for the course of (bio-)chemical reactions. Therefore, thermofluid-dynamical phenomena during the high pressure process have to be examined, and numerical tools to predict process uniformity and to optimize the processes have to be developed. Recently applied mathematical models and numerical simulations of laboratory and industrial scale high pressure processes investigating the mentioned crucial phenomena are based on continuum balancing models of thermofluid dynamics. Nevertheless, biological systems are complex fluids containing the relevant (bio-)chemical compounds (enzymes and microorganisms). These compounds are particles that interact with the surrounding medium and between each other. This contribution deals with thermofluid-dynamical interactions of the relevant particulate (bio-)chemical compounds (enzymes and microorganisms) with the surrounding fluid. By consideration of characteristic time and length scales and particle forces, the motion of the (bio-)chemical compounds is characterized.

Method for controlling clathrate hydrates in fluid systems

DOEpatents

Sloan, Jr., Earle D.

1995-01-01

Discussed is a process for preventing clathrate hydrate masses from impeding the flow of fluid in a fluid system. An additive is contacted with clathrate hydrate masses in the system to prevent those clathrate hydrate masses from impeding fluid flow. The process is particularly useful in the natural gas and petroleum production, transportation and processing industry where gas hydrate formation can cause serious problems. Additives preferably contain one or more five member, six member and/or seven member cyclic chemical groupings. Additives include poly(N-vinyl-2-pyrrolidone) and hydroxyethylcellulose, either in combination or alone. Additives can also contain multiple cyclic chemical groupings having different size rings. One such additive is sold under the name Gaffix VC-713.

Method for controlling clathrate hydrates in fluid systems

DOEpatents

Sloan, E.D. Jr.

1995-07-11

Discussed is a process for preventing clathrate hydrate masses from impeding the flow of fluid in a fluid system. An additive is contacted with clathrate hydrate masses in the system to prevent those clathrate hydrate masses from impeding fluid flow. The process is particularly useful in the natural gas and petroleum production, transportation and processing industry where gas hydrate formation can cause serious problems. Additives preferably contain one or more five member, six member and/or seven member cyclic chemical groupings. Additives include poly(N-vinyl-2-pyrrolidone) and hydroxyethylcellulose, either in combination or alone. Additives can also contain multiple cyclic chemical groupings having different size rings. One such additive is sold under the name Gaffix VC-713.

A Chemical Properties Simulator to Support Integrated Environmental Modeling (proceeding)

EPA Science Inventory

Users of Integrated Environmental Modeling (IEM) systems are responsible for defining individual chemicals and their properties, a process that is time-consuming at best and overwhelming at worst, especially for new chemicals with new structures. A software tool is needed to allo...

Towards Ideal NOx and CO2 Emission Control Technology for Bio-Oils Combustion Energy System Using a Plasma-Chemical Hybrid Process

NASA Astrophysics Data System (ADS)

Okubo, M.; Fujishima, H.; Yamato, Y.; Kuroki, T.; Tanaka, A.; Otsuka, K.

2013-03-01

A pilot-scale low-emission boiler system consisting of a bio-fuel boiler and plasma-chemical hybrid NOx removal system is investigated. This system can achieve carbon neutrality because the bio-fuel boiler uses waste vegetable oil as one of the fuels. The plasma-chemical hybrid NOx removal system has two processes: NO oxidation by ozone produced from plasma ozonizers and NO2 removal using a Na2SO3 chemical scrubber. Test demonstrations of the system are carried out for mixed oils (mixture of A-heavy oil and waste vegetable oil). Stable combustion is achieved for the mixed oil (20 - 50% waste vegetable oil). Properties of flue gas—e.g., O2, CO2 and NOx—when firing mixed oils are nearly the same as those when firing heavy oil for an average flue gas flow rate of 1000 Nm3/h. NOx concentrations at the boiler outlet are 90 - 95 ppm. Furthermore, during a 300-min continuous operation when firing 20% mixed oil, NOx removal efficiency of more than 90% (less than 10 ppm NOx emission) is confirmed. In addition, the CO2 reduction when heavy oil is replaced with waste vegetable oil is estimated. The system comparison is described between the plasma-chemical hybrid NOx removal and the conventional technology.

Recent developments in chemical decontamination technology

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

Wood, C.J.

1995-03-01

Chemical decontamination of parts of reactor coolant systems is a mature technology, used routinely in many BWR plants, but less frequently in PWRs. This paper reviews recent developments in the technology - corrosion minimization, waste processing and full system decontamination, including the fuel. Earlier work was described in an extensive review published in 1990.

DEMONSTRATION BULLETIN: X*TRAX MODEL 200 THERMAL DESORPTION SYSTEMS - CHEMICAL WASTE MANAGEMENT, INC.

EPA Science Inventory

The X*TRAX™ Mode! 200 Thermal Desorption System developed by Chemical Waste Management, Inc. (CWM), is a low-temperature process designed to separate organic contaminants from soils, sludges, and other solid media. The X*TRAX™ Model 200 is fully transportable and consists of thre...

Detailed Modeling of Distillation Technologies for Closed-Loop Water Recovery Systems

NASA Technical Reports Server (NTRS)

Allada, Rama Kumar; Lange, Kevin E.; Anderson, Molly S.

2011-01-01

Detailed chemical process simulations are a useful tool in designing and optimizing complex systems and architectures for human life support. Dynamic and steady-state models of these systems help contrast the interactions of various operating parameters and hardware designs, which become extremely useful in trade-study analyses. NASA?s Exploration Life Support technology development project recently made use of such models to compliment a series of tests on different waste water distillation systems. This paper presents efforts to develop chemical process simulations for three technologies: the Cascade Distillation System (CDS), the Vapor Compression Distillation (VCD) system and the Wiped-Film Rotating Disk (WFRD) using the Aspen Custom Modeler and Aspen Plus process simulation tools. The paper discusses system design, modeling details, and modeling results for each technology and presents some comparisons between the model results and recent test data. Following these initial comparisons, some general conclusions and forward work are discussed.

Technology development for lunar base water recycling

NASA Technical Reports Server (NTRS)

Schultz, John R.; Sauer, Richard L.

1992-01-01

This paper will review previous and ongoing work in aerospace water recycling and identify research activities required to support development of a lunar base. The development of a water recycle system for use in the life support systems envisioned for a lunar base will require considerable research work. A review of previous work on aerospace water recycle systems indicates that more efficient physical and chemical processes are needed to reduce expendable and power requirements. Development work on biological processes that can be applied to microgravity and lunar environments also needs to be initiated. Biological processes are inherently more efficient than physical and chemical processes and may be used to minimize resupply and waste disposal requirements. Processes for recovering and recycling nutrients such as nitrogen, phosphorus, and sulfur also need to be developed to support plant growth units. The development of efficient water quality monitors to be used for process control and environmental monitoring also needs to be initiated.

Low temperature junction growth using hot-wire chemical vapor deposition

DOEpatents

Wang, Qi; Page, Matthew; Iwaniczko, Eugene; Wang, Tihu; Yan, Yanfa

2014-02-04

A system and a process for forming a semi-conductor device, and solar cells (10) formed thereby. The process includes preparing a substrate (12) for deposition of a junction layer (14); forming the junction layer (14) on the substrate (12) using hot wire chemical vapor deposition; and, finishing the semi-conductor device.

Automated workflows for modelling chemical fate, kinetics and toxicity.

PubMed

Sala Benito, J V; Paini, Alicia; Richarz, Andrea-Nicole; Meinl, Thorsten; Berthold, Michael R; Cronin, Mark T D; Worth, Andrew P

2017-12-01

Automation is universal in today's society, from operating equipment such as machinery, in factory processes, to self-parking automobile systems. While these examples show the efficiency and effectiveness of automated mechanical processes, automated procedures that support the chemical risk assessment process are still in their infancy. Future human safety assessments will rely increasingly on the use of automated models, such as physiologically based kinetic (PBK) and dynamic models and the virtual cell based assay (VCBA). These biologically-based models will be coupled with chemistry-based prediction models that also automate the generation of key input parameters such as physicochemical properties. The development of automated software tools is an important step in harmonising and expediting the chemical safety assessment process. In this study, we illustrate how the KNIME Analytics Platform can be used to provide a user-friendly graphical interface for these biokinetic models, such as PBK models and VCBA, which simulates the fate of chemicals in vivo within the body and in vitro test systems respectively. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

Application of a combined process of moving-bed biofilm reactor (MBBR) and chemical coagulation for dyeing wastewater treatment.

PubMed

Shin, D H; Shin, W S; Kim, Y H; Han, Myung Ho; Choi, S J

2006-01-01

A combined process consisted of a Moving-Bed Biofilm Reactor (MBBR) and chemical coagulation was investigated for textile wastewater treatment. The pilot scale MBBR system is composed of three MBBRs (anaerobic, aerobic-1 and aerobic-2 in series), each reactor was filled with 20% (v/v) of polyurethane-activated carbon (PU-AC) carrier for biological treatment followed by chemical coagulation with FeCl2. ln the MBBR process, 85% of COD and 70% of color (influent COD = 807.5 mg/L and color = 3,400 PtCo unit) were removed using relatively low MLSS concentration and short hydraulic retention time (HRT = 44 hr). The biologically treated dyeing wastewater was subjected to chemical coagulation. After coagulation with FeCl2, 95% of COD and 97% of color were removed overall. The combined process of MBBR and chemical coagulation has promising potential for dyeing wastewater treatment.

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.

Micro-fluidic partitioning between polymeric sheets for chemical amplification and processing

DOEpatents

Anderson, Brian L.

2017-01-24

A system for fluid partitioning for chemical amplification or other chemical processing or separations of a sample, comprising a first dispenser of a first polymeric sheet, wherein the first polymeric sheet contains chambers; a second dispenser of a second polymeric sheet wherein the first dispenser and the second dispenser are positioned so that the first polymeric sheet and the second polymeric sheet become parallel; a dispenser of the fluid positioned to dispense the fluid between the first polymeric sheet and the second polymeric sheet; and a seal unit that seals the first polymeric sheet and the second polymeric sheet together thereby sealing the sample between the first polymeric sheet and the second polymeric sheet and partitioning the fluid for chemical amplification or other chemical processing or separations.

Micro-fluidic partitioning between polymeric sheets for chemical amplification and processing

DOEpatents

Anderson, Brian L.

2015-05-26

A system for fluid partitioning for chemical amplification or other chemical processing or separations of a sample, comprising a first dispenser of a first polymeric sheet, wherein the first polymeric sheet contains chambers; a second dispenser of a second polymeric sheet wherein the first dispenser and the second dispenser are positioned so that the first polymeric sheet and the second polymeric sheet become parallel; a dispenser of the fluid positioned to dispense the fluid between the first polymeric sheet and the second polymeric sheet; and a seal unit that seals the first polymeric sheet and the second polymeric sheet together thereby sealing the sample between the first polymeric sheet and the second polymeric sheet and partitioning the fluid for chemical amplification or other chemical processing or separations.

Hazardous chemical tracking system (HAZ-TRAC)

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

Bramlette, J D; Ewart, S M; Jones, C E

Westinghouse Idaho Nuclear Company, Inc. (WINCO) developed and implemented a computerized hazardous chemical tracking system, referred to as Haz-Trac, for use at the Idaho Chemical Processing Plant (ICPP). Haz-Trac is designed to provide a means to improve the accuracy and reliability of chemical information, which enhances the overall quality and safety of ICPP operations. The system tracks all chemicals and chemical components from the time they enter the ICPP until the chemical changes form, is used, or becomes a waste. The system runs on a Hewlett-Packard (HP) 3000 Series 70 computer. The system is written in COBOL and uses VIEW/3000,more » TurboIMAGE/DBMS 3000, OMNIDEX, and SPEEDWARE. The HP 3000 may be accessed throughout the ICPP, and from remote locations, using data communication lines. Haz-Trac went into production in October, 1989. Currently, over 1910 chemicals and chemical components are tracked on the system. More than 2500 personnel hours were saved during the first six months of operation. Cost savings have been realized by reducing the time needed to collect and compile reporting information, identifying and disposing of unneeded chemicals, and eliminating duplicate inventories. Haz-Trac maintains information required by the Superfund Amendment Reauthorization Act (SARA), the Comprehensive Environmental Response, Compensation and Liability Act (CERCLA) and the Occupational Safety and Health Administration (OSHA).« less

MIUS wastewater technology evaluation

NASA Technical Reports Server (NTRS)

Poradek, J. C.

1976-01-01

A modular integrated utility system wastewater-treatment process is described. Research in the field of wastewater treatment is reviewed, treatment processes are specified and evaluated, and recommendations for system use are made. The treatment processes evaluated are in the broad categories of preparatory, primary, secondary, and tertiary treatment, physical-chemical processing, dissolved-solids removal, disinfection, sludge processing, and separate systems. Capital, operating, and maintenance costs are estimated, and extensive references are given.

Results of the GCMS Effluent Gas Analysis for the Brine Processing Test

NASA Technical Reports Server (NTRS)

Delzeit, Lance; Lee, Jeffrey; Flynn, Michael; Fisher, John; Shaw, Hali; Kawashima, Brian; Beeler, David; Harris, Linden

2015-01-01

The effluent gas for the Paragon Ionomer Water Processor (IWP), UMPQUA Ultrasonic Brine Dewatering System (UBDS), and the NASA Brine Evaporation Bag (BEB) were analyzed using Headspace GCMS Analysis in the recent AES FY14 Brine Processing Test. The results from the analysis describe the number and general chemical species of the chemicals produced. Comparisons were also made between the different chromatograms for each system, and an explanation of the differences in the results is reported.

Containerless automated processing of intermetallic compounds and composites

NASA Technical Reports Server (NTRS)

Johnson, D. R.; Joslin, S. M.; Reviere, R. D.; Oliver, B. F.; Noebe, R. D.

1993-01-01

An automated containerless processing system has been developed to directionally solidify high temperature materials, intermetallic compounds, and intermetallic/metallic composites. The system incorporates a wide range of ultra-high purity chemical processing conditions. The utilization of image processing for automated control negates the need for temperature measurements for process control. The list of recent systems that have been processed includes Cr, Mo, Mn, Nb, Ni, Ti, V, and Zr containing aluminides. Possible uses of the system, process control approaches, and properties and structures of recently processed intermetallics are reviewed.

Systematic development of reduced reaction mechanisms for dynamic modeling

NASA Technical Reports Server (NTRS)

Frenklach, M.; Kailasanath, K.; Oran, E. S.

1986-01-01

A method for systematically developing a reduced chemical reaction mechanism for dynamic modeling of chemically reactive flows is presented. The method is based on the postulate that if a reduced reaction mechanism faithfully describes the time evolution of both thermal and chain reaction processes characteristic of a more complete mechanism, then the reduced mechanism will describe the chemical processes in a chemically reacting flow with approximately the same degree of accuracy. Here this postulate is tested by producing a series of mechanisms of reduced accuracy, which are derived from a full detailed mechanism for methane-oxygen combustion. These mechanisms were then tested in a series of reactive flow calculations in which a large-amplitude sinusoidal perturbation is applied to a system that is initially quiescent and whose temperature is high enough to start ignition processes. Comparison of the results for systems with and without convective flow show that this approach produces reduced mechanisms that are useful for calculations of explosions and detonations. Extensions and applicability to flames are discussed.

Laboratory Studies on the Formation of Carbon-Bearing Molecules in Extraterrestrial Environments: From the Gas Phase to the Solid State

NASA Technical Reports Server (NTRS)

Jamieson, C. S.; Guo, Y.; Gu, X.; Zhang, F.; Bennett, C. J.; Kaiser, R. I.

2006-01-01

A detailed knowledge of the formation of carbon-bearing molecules in interstellar ices and in the gas phase of the interstellar medium is of paramount interest to understand the astrochemical evolution of extraterrestrial environments (1). This research also holds strong implications to comprehend the chemical processing of Solar System environments such as icy planets and their moons together with the atmospheres of planets and their satellites (2). Since the present composition of each interstellar and Solar System environment reflects the matter from which it was formed and the processes which have changed the chemical nature since the origin (solar wind, planetary magnetospheres, cosmic ray exposure, photolysis, chemical reactions), a detailed investigation of the physicochemical mechanisms altering the pristine environment is of paramount importance to grasp the contemporary composition. Once these underlying processes have been unraveled, we can identify those molecules, which belonged to the nascent setting, distinguish molecular species synthesized in a later stage, and predict the imminent chemical evolution of, for instance, molecular clouds. Laboratory experiments under controlled physicochemical conditions (temperature, pressure, chemical composition, high energy components) present ideal tools for simulating the chemical evolution of interstellar and Solar System environments. Here, laboratory experiments can predict where and how (reaction mechanisms; chemicals necessary) in extraterrestrial environments and in the interstellar medium complex, carbon bearing molecules can be formed on interstellar grains and in the gas phase. This paper overviews the experimental setups utilized in our laboratory to mimic the chemical processing of gas phase and solid state (ices) environments. These are a crossed molecular beams machine (3) and a surface scattering setup (4). We also present typical results of each setup (formation of amino acids, aldehydes, epoxides; synthesis of hydrogen terminated carbon chains as precursors to complex PAHs and to carbonaceous dust grains in general; nitriles as precursor to amino acids).

Application of ultra high pressure (UHP) in starch chemistry.

PubMed

Kim, Hyun-Seok; Kim, Byung-Yong; Baik, Moo-Yeol

2012-01-01

Ultra high pressure (UHP) processing is an attractive non-thermal technique for food treatment and preservation at room temperature, with the potential to achieve interesting functional effects. The majority of UHP process applications in food systems have focused on shelf-life extension associated with non-thermal sterilization and a reduction or increase in enzymatic activity. Only a few studies have investigated modifications of structural characteristics and/or protein functionalities. Despite the rapid expansion of UHP applications in food systems, limited information is available on the effects of UHP on the structural and physicochemical properties of starch and/or its chemical derivatives included in most processed foods as major ingredients or minor additives. Starch and its chemical derivatives are responsible for textural and physical properties of food systems, impacting their end-use quality and/or shelf-life. This article reviews UHP processes for native (unmodified) starch granules and their effects on the physicochemical properties of UHP-treated starch. Furthermore, functional roles of UHP in acid-hydrolysis, hydroxypropylation, acetylation, and cross-linking reactions of starch granules, as well as the physicochemical properties of UHP-assisted starch chemical derivatives, are discussed.

Chemical environments of submarine hydrothermal systems. [supporting abiogenetic theory

NASA Technical Reports Server (NTRS)

Shock, Everett L.

1992-01-01

The paper synthesizes diverse information about the inorganic geochemistry of submarine hydrothermal systems, provides a description of the fundamental physical and chemical properties of these systems, and examines the implications of high-temperature, fluid-driven processes for organic synthesis. Emphasis is on a few general features, i.e., pressure, temperature, oxidation states, fluid composition, and mineral alteration, because these features will control whether organic synthesis can occur in hydrothermal systems.

Dynamic Modeling of Process Technologies for Closed-Loop Water Recovery Systems

NASA Technical Reports Server (NTRS)

Allada, Rama Kumar; Lange, Kevin E.; Anderson, Molly S.

2012-01-01

Detailed chemical process simulations are a useful tool in designing and optimizing complex systems and architectures for human life support. Dynamic and steady-state models of these systems help contrast the interactions of various operating parameters and hardware designs, which become extremely useful in trade-study analyses. NASA s Exploration Life Support technology development project recently made use of such models to compliment a series of tests on different waste water distillation systems. This paper presents dynamic simulations of chemical process for primary processor technologies including: the Cascade Distillation System (CDS), the Vapor Compression Distillation (VCD) system, the Wiped-Film Rotating Disk (WFRD), and post-distillation water polishing processes such as the Volatiles Removal Assembly (VRA). These dynamic models were developed using the Aspen Custom Modeler (Registered TradeMark) and Aspen Plus(Registered TradeMark) process simulation tools. The results expand upon previous work for water recovery technology models and emphasize dynamic process modeling and results. The paper discusses system design, modeling details, and model results for each technology and presents some comparisons between the model results and available test data. Following these initial comparisons, some general conclusions and forward work are discussed.

Integrated Optoelectronics for Parallel Microbioanalysis

NASA Technical Reports Server (NTRS)

Stirbl, Robert; Moynihan, Philip; Bearman, Gregory; Lane, Arthur

2003-01-01

Miniature, relatively inexpensive microbioanalytical systems ("laboratory-on-achip" devices) have been proposed for the detection of hazardous microbes and toxic chemicals. Each system of this type would include optoelectronic sensors and sensor-output-processing circuitry that would simultaneously look for the optical change, fluorescence, delayed fluorescence, or phosphorescence signatures from multiple redundant sites that have interacted with the test biomolecules in order to detect which one(s) was present in a given situation. These systems could be used in a variety of settings that could include doctors offices, hospitals, hazardous-material laboratories, biological-research laboratories, military operations, and chemical-processing plants.

Automated Drug Identification for Urban Hospitals

NASA Technical Reports Server (NTRS)

Shirley, Donna L.

1971-01-01

Many urban hospitals are becoming overloaded with drug abuse cases requiring chemical analysis for identification of drugs. In this paper, the requirements for chemical analysis of body fluids for drugs are determined and a system model for automated drug analysis is selected. The system as modeled, would perform chemical preparation of samples, gas-liquid chromatographic separation of drugs in the chemically prepared samples, infrared spectrophotometric analysis of the drugs, and would utilize automatic data processing and control for drug identification. Requirements of cost, maintainability, reliability, flexibility, and operability are considered.

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.

Solute transport with equilibrium aqueous complexation and either sorption or ion exchange: Simulation methodology and applications

USGS Publications Warehouse

Lewis, F.M.; Voss, C.I.; Rubin, J.

1987-01-01

Methodologies that account for specific types of chemical reactions in the simulation of solute transport can be developed so they are compatible with solution algorithms employed in existing transport codes. This enables the simulation of reactive transport in complex multidimensional flow regimes, and provides a means for existing codes to account for some of the fundamental chemical processes that occur among transported solutes. Two equilibrium-controlled reaction systems demonstrate a methodology for accommodating chemical interaction into models of solute transport. One system involves the sorption of a given chemical species, as well as two aqueous complexations in which the sorbing species is a participant. The other reaction set involves binary ion exchange coupled with aqueous complexation involving one of the exchanging species. The methodology accommodates these reaction systems through the addition of nonlinear terms to the transport equations for the sorbing species. Example simulation results show (1) the effect equilibrium chemical parameters have on the spatial distributions of concentration for complexing solutes; (2) that an interrelationship exists between mechanical dispersion and the various reaction processes; (3) that dispersive parameters of the porous media cannot be determined from reactive concentration distributions unless the reaction is accounted for or the influence of the reaction is negligible; (4) how the concentration of a chemical species may be significantly affected by its participation in an aqueous complex with a second species which also sorbs; and (5) that these coupled chemical processes influencing reactive transport can be demonstrated in two-dimensional flow regimes. ?? 1987.

Intercomparison of the community multiscale air quality model and CALGRID using process analysis.

PubMed

O'Neill, Susan M; Lamb, Brian K

2005-08-01

This study was designed to examine the similarities and differences between two advanced photochemical air quality modeling systems: EPA Models-3/CMAQ and CALGRID/CALMET. Both modeling systems were applied to an ozone episode that occurred along the I-5 urban corridor in western Washington and Oregon during July 11-14, 1996. Both models employed the same modeling domain and used the same detailed gridded emission inventory. The CMAQ model was run using both the CB-IV and RADM2 chemical mechanisms, while CALGRID was used with the SAPRC-97 chemical mechanism. Outputfrom the Mesoscale Meteorological Model (MM5) employed with observational nudging was used in both models. The two modeling systems, representing three chemical mechanisms and two sets of meteorological inputs, were evaluated in terms of statistical performance measures for both 1- and 8-h average observed ozone concentrations. The results showed that the different versions of the systems were more similar than different, and all versions performed well in the Portland region and downwind of Seattle but performed poorly in the more rural region north of Seattle. Improving the meteorological input into the CALGRID/CALMET system with planetary boundary layer (PBL) parameters from the Models-3/CMAQ meteorology preprocessor (MCIP) improved the performance of the CALGRID/CALMET system. The 8-h ensemble case was often the best performer of all the cases indicating that the models perform better over longer analysis periods. The 1-h ensemble case, derived from all runs, was not necessarily an improvement over the five individual cases, but the standard deviation about the mean provided a measure of overall modeling uncertainty. Process analysis was applied to examine the contribution of the individual processes to the species conservation equation. The process analysis results indicated that the two modeling systems arrive at similar solutions by very different means. Transport rates are faster and exhibit greater fluctuations in the CMAQ cases than in the CALGRID cases, which lead to different placement of the urban ozone plumes. The CALGRID cases, which rely on the SAPRC97 chemical mechanism, exhibited a greater diurnal production/loss cycle of ozone concentrations per hour compared to either the RADM2 or CBIV chemical mechanisms in the CMAQ cases. These results demonstrate the need for specialized process field measurements to confirm whether we are modeling ozone with valid processes.

A proposal to improve clarity and communication in the EU Classification process for chemicals for carcinogenicity and reproductive and developmental toxicity.

PubMed

Doe, J E

2014-10-01

There is an issue in the EU classification of substances for carcinogenicity and for reproductive or developmental toxicity which has brought difficulties to those involved in the process. The issue lies in the inability of the classification system to distinguish between carcinogens and reproductive toxicants with different levels of concern. This has its origins in the early years of toxicology when it was thought that a relatively small number of chemicals would be either carcinogens or reproductive toxicants, but this has turned out not to be the case. This can cause problems in communicating to the users of chemicals, including the public, the nature of the hazard presented by chemicals. Processes have been developed within the classification system for setting specific concentration limits which assess the degree of hazard for carcinogens and reproductive toxicants as high, medium or low. However these categories are not otherwise used in classification. It is proposed that their wider use would bring the advantages of transparency, clarity of communication, certainty of the process and would allow chemicals with a high degree of hazard to be identified and managed in an appropriate way. Copyright © 2014. The Authors. Journal of Applied Toxicology Published by John Wiley & Sons Ltd.

Interactive models of communication at the nanoscale using nanoparticles that talk to one another

PubMed Central

Llopis-Lorente, Antoni; Díez, Paula; Sánchez, Alfredo; Marcos, María D.; Sancenón, Félix; Martínez-Ruiz, Paloma; Villalonga, Reynaldo; Martínez-Máñez, Ramón

2017-01-01

‘Communication' between abiotic nanoscale chemical systems is an almost-unexplored field with enormous potential. Here we show the design and preparation of a chemical communication system based on enzyme-powered Janus nanoparticles, which mimics an interactive model of communication. Cargo delivery from one nanoparticle is governed by the biunivocal communication with another nanoparticle, which involves two enzymatic processes and the interchange of chemical messengers. The conceptual idea of establishing communication between nanodevices opens the opportunity to develop complex nanoscale systems capable of sharing information and cooperating. PMID:28556828

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

Wu, Fuke, E-mail: wufuke@mail.hust.edu.cn; Tian, Tianhai, E-mail: tianhai.tian@sci.monash.edu.au; Rawlings, James B., E-mail: james.rawlings@wisc.edu

The frequently used reduction technique is based on the chemical master equation for stochastic chemical kinetics with two-time scales, which yields the modified stochastic simulation algorithm (SSA). For the chemical reaction processes involving a large number of molecular species and reactions, the collection of slow reactions may still include a large number of molecular species and reactions. Consequently, the SSA is still computationally expensive. Because the chemical Langevin equations (CLEs) can effectively work for a large number of molecular species and reactions, this paper develops a reduction method based on the CLE by the stochastic averaging principle developed in themore » work of Khasminskii and Yin [SIAM J. Appl. Math. 56, 1766–1793 (1996); ibid. 56, 1794–1819 (1996)] to average out the fast-reacting variables. This reduction method leads to a limit averaging system, which is an approximation of the slow reactions. Because in the stochastic chemical kinetics, the CLE is seen as the approximation of the SSA, the limit averaging system can be treated as the approximation of the slow reactions. As an application, we examine the reduction of computation complexity for the gene regulatory networks with two-time scales driven by intrinsic noise. For linear and nonlinear protein production functions, the simulations show that the sample average (expectation) of the limit averaging system is close to that of the slow-reaction process based on the SSA. It demonstrates that the limit averaging system is an efficient approximation of the slow-reaction process in the sense of the weak convergence.« less

Chemical characterization of chars developed from thermochemical treatment of Kentucky bluegrass seed screenings

USDA-ARS?s Scientific Manuscript database

Char produced from the gasification of post-seed harvest Kentucky bluegrass residues could be recycled to a cropping system as a soil amendment if chemical characterization determined that the gasification process had not produced or concentrated deleterious chemical or physical factors that might h...

In–situ Spatiotemporal Chemical Reactions at Water-Solid Interfacial Processes using Microelectrode Techniques: from Biofilm to Metal Corrosion

EPA Science Inventory

Recent developments in microscale sensors allows the non-destructive and in–situ measurement of both the absolute and changes in chemical concentrations in engineered and natural aquatic systems. Microelectrodes represent a unique tool for studying in–situ chemical reactions in b...

Physical Processes and Real-Time Chemical Measurement of the Insect Olfactory Environment

PubMed Central

Abrell, Leif; Hildebrand, John G.

2009-01-01

Odor-mediated insect navigation in airborne chemical plumes is vital to many ecological interactions, including mate finding, flower nectaring, and host locating (where disease transmission or herbivory may begin). After emission, volatile chemicals become rapidly mixed and diluted through physical processes that create a dynamic olfactory environment. This review examines those physical processes and some of the analytical technologies available to characterize those behavior-inducing chemical signals at temporal scales equivalent to the olfactory processing in insects. In particular, we focus on two areas of research that together may further our understanding of olfactory signal dynamics and its processing and perception by insects. First, measurement of physical atmospheric processes in the field can provide insight into the spatiotemporal dynamics of the odor signal available to insects. Field measurements in turn permit aspects of the physical environment to be simulated in the laboratory, thereby allowing careful investigation into the links between odor signal dynamics and insect behavior. Second, emerging analytical technologies with high recording frequencies and field-friendly inlet systems may offer new opportunities to characterize natural odors at spatiotemporal scales relevant to insect perception and behavior. Characterization of the chemical signal environment allows the determination of when and where olfactory-mediated behaviors may control ecological interactions. Finally, we argue that coupling of these two research areas will foster increased understanding of the physicochemical environment and enable researchers to determine how olfactory environments shape insect behaviors and sensory systems. PMID:18548311

Network model of chemical-sensing system inspired by mouse taste buds.

PubMed

Tateno, Katsumi; Igarashi, Jun; Ohtubo, Yoshitaka; Nakada, Kazuki; Miki, Tsutomu; Yoshii, Kiyonori

2011-07-01

Taste buds endure extreme changes in temperature, pH, osmolarity, so on. Even though taste bud cells are replaced in a short span, they contribute to consistent taste reception. Each taste bud consists of about 50 cells whose networks are assumed to process taste information, at least preliminarily. In this article, we describe a neural network model inspired by the taste bud cells of mice. It consists of two layers. In the first layer, the chemical stimulus is transduced into an irregular spike train. The synchronization of the output impulses is induced by the irregular spike train at the second layer. These results show that the intensity of the chemical stimulus is encoded as the degree of the synchronization of output impulses. The present algorithms for signal processing result in a robust chemical-sensing system.

Chemical annotation of small and peptide-like molecules at the Protein Data Bank

PubMed Central

Young, Jasmine Y.; Feng, Zukang; Dimitropoulos, Dimitris; Sala, Raul; Westbrook, John; Zhuravleva, Marina; Shao, Chenghua; Quesada, Martha; Peisach, Ezra; Berman, Helen M.

2013-01-01

Over the past decade, the number of polymers and their complexes with small molecules in the Protein Data Bank archive (PDB) has continued to increase significantly. To support scientific advancements and ensure the best quality and completeness of the data files over the next 10 years and beyond, the Worldwide PDB partnership that manages the PDB archive is developing a new deposition and annotation system. This system focuses on efficient data capture across all supported experimental methods. The new deposition and annotation system is composed of four major modules that together support all of the processing requirements for a PDB entry. In this article, we describe one such module called the Chemical Component Annotation Tool. This tool uses information from both the Chemical Component Dictionary and Biologically Interesting molecule Reference Dictionary to aid in annotation. Benchmark studies have shown that the Chemical Component Annotation Tool provides significant improvements in processing efficiency and data quality. Database URL: http://wwpdb.org PMID:24291661

Chemical annotation of small and peptide-like molecules at the Protein Data Bank.

PubMed

Young, Jasmine Y; Feng, Zukang; Dimitropoulos, Dimitris; Sala, Raul; Westbrook, John; Zhuravleva, Marina; Shao, Chenghua; Quesada, Martha; Peisach, Ezra; Berman, Helen M

2013-01-01

Over the past decade, the number of polymers and their complexes with small molecules in the Protein Data Bank archive (PDB) has continued to increase significantly. To support scientific advancements and ensure the best quality and completeness of the data files over the next 10 years and beyond, the Worldwide PDB partnership that manages the PDB archive is developing a new deposition and annotation system. This system focuses on efficient data capture across all supported experimental methods. The new deposition and annotation system is composed of four major modules that together support all of the processing requirements for a PDB entry. In this article, we describe one such module called the Chemical Component Annotation Tool. This tool uses information from both the Chemical Component Dictionary and Biologically Interesting molecule Reference Dictionary to aid in annotation. Benchmark studies have shown that the Chemical Component Annotation Tool provides significant improvements in processing efficiency and data quality. Database URL: http://wwpdb.org.

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.

29 CFR 1910.119 - Process safety management of highly hazardous chemicals.

Code of Federal Regulations, 2011 CFR

2011-07-01

... complexity of the process will influence the decision as to the appropriate PHA methodology to use. All PHA... process hazard analysis in sufficient detail to support the analysis. (3) Information pertaining to the...) Relief system design and design basis; (E) Ventilation system design; (F) Design codes and standards...

29 CFR 1910.119 - Process safety management of highly hazardous chemicals.

Code of Federal Regulations, 2010 CFR

2010-07-01

... complexity of the process will influence the decision as to the appropriate PHA methodology to use. All PHA... process hazard analysis in sufficient detail to support the analysis. (3) Information pertaining to the...) Relief system design and design basis; (E) Ventilation system design; (F) Design codes and standards...

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.

Blood monitoring systems and methods thereof

NASA Technical Reports Server (NTRS)

Zander, Dennis (Inventor); Mir, Jose (Inventor)

2012-01-01

A blood monitoring system is capable of monitoring the blood of a subject in vivo. The blood monitoring system comprises: 1) an array of movable microneedle micromachined within associated wells; 2) array of motion actuators able to move each needle in and out of their associated wells; 3) array of microvalves associated with each microneedle able to control the flow of air around the microneedle; 4) an array of chemical sensors inserted into patient by movable microneedles; 5) an array of inductors able to measure chemical concentration in the vicinity of inserted chemical sensors; 6) conducting vias that provide timed actuating signal signals from a control system to each motion actuator; 7) conducting vias that transmit signal produced by array of chemical sensors to the control system for processing, although the blood monitoring system can comprise other numbers and types of elements in other configurations.

Neural processing, perception, and behavioral responses to natural chemical stimuli by fish and crustaceans.

PubMed

Derby, Charles D; Sorensen, Peter W

2008-07-01

This manuscript reviews the chemical ecology of two of the major aquatic animal models, fish and crustaceans, in the study of chemoreception. By necessity, it is restricted in scope, with most emphasis placed on teleost fish and decapod crustaceans. First, we describe the nature of the chemical world perceived by fish and crustaceans, giving examples of the abilities of these animals to analyze complex natural odors. Fish and crustaceans share the same environments and have evolved some similar chemosensory features: the ability to detect and discern mixtures of small metabolites in highly variable backgrounds and to use this information to identify food, mates, predators, and habitat. Next, we give examples of the molecular nature of some of these natural products, including a description of methodologies used to identify them. Both fish and crustaceans use their olfactory and gustatory systems to detect amino acids, amines, and nucleotides, among many other compounds, while fish olfactory systems also detect mixtures of sex steroids and prostaglandins with high specificity and sensitivity. Third, we discuss the importance of plasticity in chemical sensing by fish and crustaceans. Finally, we conclude with a description of how natural chemical stimuli are processed by chemosensory systems. In both fishes and crustaceans, the olfactory system is especially adept at mixture discrimination, while gustation is well suited to facilitate precise localization and ingestion of food. The behaviors of both fish and crustaceans can be defined by the chemical worlds in which they live and the abilities of their nervous systems to detect and identify specific features in their domains. An understanding of these worlds and the sensory systems that provide the animals with information about them provides insight into the chemical ecology of these species.

Incorporating domain knowledge in chemical and biomedical named entity recognition with word representations.

PubMed

Munkhdalai, Tsendsuren; Li, Meijing; Batsuren, Khuyagbaatar; Park, Hyeon Ah; Choi, Nak Hyeon; Ryu, Keun Ho

2015-01-01

Chemical and biomedical Named Entity Recognition (NER) is an essential prerequisite task before effective text mining can begin for biochemical-text data. Exploiting unlabeled text data to leverage system performance has been an active and challenging research topic in text mining due to the recent growth in the amount of biomedical literature. We present a semi-supervised learning method that efficiently exploits unlabeled data in order to incorporate domain knowledge into a named entity recognition model and to leverage system performance. The proposed method includes Natural Language Processing (NLP) tasks for text preprocessing, learning word representation features from a large amount of text data for feature extraction, and conditional random fields for token classification. Other than the free text in the domain, the proposed method does not rely on any lexicon nor any dictionary in order to keep the system applicable to other NER tasks in bio-text data. We extended BANNER, a biomedical NER system, with the proposed method. This yields an integrated system that can be applied to chemical and drug NER or biomedical NER. We call our branch of the BANNER system BANNER-CHEMDNER, which is scalable over millions of documents, processing about 530 documents per minute, is configurable via XML, and can be plugged into other systems by using the BANNER Unstructured Information Management Architecture (UIMA) interface. BANNER-CHEMDNER achieved an 85.68% and an 86.47% F-measure on the testing sets of CHEMDNER Chemical Entity Mention (CEM) and Chemical Document Indexing (CDI) subtasks, respectively, and achieved an 87.04% F-measure on the official testing set of the BioCreative II gene mention task, showing remarkable performance in both chemical and biomedical NER. BANNER-CHEMDNER system is available at: https://bitbucket.org/tsendeemts/banner-chemdner.

Water Purification Systems

NASA Technical Reports Server (NTRS)

1992-01-01

A water purification/recycling system developed by Photo-Catalytics, Inc. (PCI) for NASA is commercially available. The system cleanses and recycles water, using a "photo-catalysis" process in which light or radiant energy sparks a chemical reaction. Chemically stable semiconductor powders are added to organically polluted water. The powder absorbs ultraviolet light, and pollutants are oxidized and converted to carbon dioxide. Potential markets for the system include research and pharmaceutical manufacturing applications, as well as microchip manufacture and wastewater cleansing.

Chemical reaction of hexagonal boron nitride and graphite nanoclusters in mechanical milling systems

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

Muramatsu, Y.; Grush, M.; Callcott, T.A.

1997-04-01

Synthesis of boron-carbon-nitride (BCN) hybrid alloys has been attempted extensively by many researchers because the BCN alloys are considered an extremely hard material called {open_quotes}super diamond,{close_quotes} and the industrial application for wear-resistant materials is promising. A mechanical alloying (MA) method of hexagonal boron nitride (h-BN) with graphite has recently been studied to explore the industrial synthesis of the BCN alloys. To develop the MA method for the BCN alloy synthesis, it is necessary to confirm the chemical reaction processes in the mechanical milling systems and to identify the reaction products. Therefore, the authors have attempted to confirm the chemical reactionmore » process of the h-BN and graphite in mechanical milling systems using x-ray absorption near edge structure (XANES) methods.« less

Chemical Effects during Storage of Frozen Foods.

ERIC Educational Resources Information Center

Powrie, W. D.

1984-01-01

Discusses (1) characteristics, interrelationships, and distribution of food constituents (including water) in unfrozen food systems; (2) the freezing process; and (3) chemical changes in food during frozen storage. Protein alterations and lipid oxidation are emphasized. (JN)

A THC Simulator for Modeling Fluid-Rock Interactions

NASA Astrophysics Data System (ADS)

Hamidi, Sahar; Galvan, Boris; Heinze, Thomas; Miller, Stephen

2014-05-01

Fluid-rock interactions play an essential role in many earth processes, from a likely influence on earthquake nucleation and aftershocks, to enhanced geothermal system, carbon capture and storage (CCS), and underground nuclear waste repositories. In THC models, two-way interactions between different processes (thermal, hydraulic and chemical) are present. Fluid flow influences the permeability of the rock especially if chemical reactions are taken into account. On one hand solute concentration influences fluid properties while, on the other hand, heat can affect further chemical reactions. Estimating heat production from a naturally fractured geothermal systems remains a complex problem. Previous works are typically based on a local thermal equilibrium assumption and rarely consider the salinity. The dissolved salt in fluid affects the hydro- and thermodynamical behavior of the system by changing the hydraulic properties of the circulating fluid. Coupled thermal-hydraulic-chemical models (THC) are important for investigating these processes, but what is needed is a coupling to mechanics to result in THMC models. Although similar models currently exist (e.g. PFLOTRAN), our objective here is to develop algorithms for implementation using the Graphics Processing Unit (GPU) computer architecture to be run on GPU clusters. To that aim, we present a two-dimensional numerical simulation of a fully coupled non-isothermal non-reactive solute flow. The thermal part of the simulation models heat transfer processes for either local thermal equilibrium or nonequilibrium cases, and coupled to a non-reactive mass transfer described by a non-linear diffusion/dispersion model. The flow process of the model includes a non-linear Darcian flow for either saturated or unsaturated scenarios. For the unsaturated case, we use the Richards' approximation for a mixture of liquid and gas phases. Relative permeability and capillary pressure are determined by the van Genuchten relations. Permeability of rock is controlled by porosity, which is itself related to effective stress. The theoretical model is solved using explicit finite differences, and runs in parallel mode with OpenMP. The code is fully modular so that any combination of current THC processes, one- and two-phase, can be chosen. Future developments will include dissolution and precipitation of chemical components in addition to chemical erosion.

Geochemistry of water in the Fort Union Formation of the northern Powder River basin, southeastern Montana

USGS Publications Warehouse

Lee, Roger W.

1980-01-01

Shallow water in the coal-bearing Fort Union Formation of southeastern Montana was investigated to provide a better understanding of the geochemistry. Springs, wells less than 200 feet deep, and wells greater then 200 feet deep were observed to have different water qualities. Overall, the ground water exists as two systems: a mosaic of shallow, chemically dynamic, and localized recharge-discharge cells superimposed on a deeper, chemically static regional system. Water chemistry is highly variable in the shallow system, whereas sodium and bicarbonate waters characterize the deeper system. Within the shallow system , springs, and wells less than 200 feet deep show predominantly sodium and sulfate enrichment processes from recharge to discharge. These processes are consistent with the observed aquifer mineralogy and aqueous chemistry. However, intermittent mixing with downward moving recharge waters or upward moving deeper waters, and bacterially catalyzed sulfate reduction, may cause apparent reversals in these processes. (USGS)

Geochemistry of water in the Fort Union formation of the northern Powder River basin, southeastern Montana

USGS Publications Warehouse

Lee, Roger W.

1981-01-01

Shallow water in the coal-bearing Paleocene Fort Union Formation of southeastern Montana was investigated to provide a better understanding of its geochemistry. Springs, wells less than 200 feet deep, and wells greater than 200 feet deep were observed to have different water qualities. Overall, the ground water exists as two systems: a mosaic of shallow, chemically dynamic, and localized recharge-discharge cells superimposed on a deeper, chemically static regional system. Water chemistry is highly variable in the shallow system; whereas, waters containing sodium and bicarbonate characterize the deeper system. Within the shallow system, springs and wells less than 200 feet deep show predominantly sodium and sulfate enrichment processes from recharge to discharge. These processes are consistent with the observed aquifer mineralogy and aqueous chemistry. However, intermittent mixing with downward moving recharge waters or upward moving deeper waters, and bacterially catalyzed sulfate reduction, may cause apparent reversals in these processes.

Chemistry of the Konica Dry Color System

NASA Astrophysics Data System (ADS)

Suda, Yoshihiko; Ohbayashi, Keiji; Onodera, Kaoru

1991-08-01

While silver halide photosensitive materials offer superiority in image quality -- both in color and black-and-white -- they require chemical solutions for processing, and this can be a drawback. To overcome this, researchers turned to the thermal development of silver halide photographic materials, and met their first success with black-and-white images. Later, with the development of the Konica Dry Color System, color images were finally obtained from a completely dry thermal development system, without the use of water or chemical solutions. The dry color system is characterized by a novel chromogenic color image-forming technology and comprises four processes. (1) With the application of heat, a color developer precursor (CDP) decomposes to generate a p-phenylenediamine color developer (CD). (2) The CD then develops silver salts. (3) Oxidized CD then reacts with couplers to generate color image dyes. (4) Finally, the dyes diffuse from the system's photosensitive sheet to its image-receiving sheet. The authors have analyzed the kinetics of each of the system's four processes. In this paper, they report the kinetics of the system's first process, color developer (CD) generation.

Dry soldering with hot filament produced atomic hydrogen

DOEpatents

Panitz, Janda K. G.; Jellison, James L.; Staley, David J.

1995-01-01

A system for chemically transforming metal surface oxides to metal that is especially, but not exclusively, suitable for preparing metal surfaces for dry soldering and solder reflow processes. The system employs one or more hot, refractory metal filaments, grids or surfaces to thermally dissociate molecular species in a low pressure of working gas such as a hydrogen-containing gas to produce reactive species in a reactive plasma that can chemically reduce metal oxides and form volatile compounds that are removed in the working gas flow. Dry soldering and solder reflow processes are especially applicable to the manufacture of printed circuit boards, semiconductor chip lead attachment and packaging multichip modules. The system can be retrofitted onto existing metal treatment ovens, furnaces, welding systems and wave soldering system designs.

Computational analysis of the roles of biochemical reactions in anomalous diffusion dynamics

NASA Astrophysics Data System (ADS)

Naruemon, Rueangkham; Charin, Modchang

2016-04-01

Most biochemical processes in cells are usually modeled by reaction-diffusion (RD) equations. In these RD models, the diffusive process is assumed to be Gaussian. However, a growing number of studies have noted that intracellular diffusion is anomalous at some or all times, which may result from a crowded environment and chemical kinetics. This work aims to computationally study the effects of chemical reactions on the diffusive dynamics of RD systems by using both stochastic and deterministic algorithms. Numerical method to estimate the mean-square displacement (MSD) from a deterministic algorithm is also investigated. Our computational results show that anomalous diffusion can be solely due to chemical reactions. The chemical reactions alone can cause anomalous sub-diffusion in the RD system at some or all times. The time-dependent anomalous diffusion exponent is found to depend on many parameters, including chemical reaction rates, reaction orders, and chemical concentrations. Project supported by the Thailand Research Fund and Mahidol University (Grant No. TRG5880157), the Thailand Center of Excellence in Physics (ThEP), CHE, Thailand, and the Development Promotion of Science and Technology.

Performance Optimization Control of ECH using Fuzzy Inference Application

NASA Astrophysics Data System (ADS)

Dubey, Abhay Kumar

Electro-chemical honing (ECH) is a hybrid electrolytic precision micro-finishing technology that, by combining physico-chemical actions of electro-chemical machining and conventional honing processes, provides the controlled functional surfaces-generation and fast material removal capabilities in a single operation. Process multi-performance optimization has become vital for utilizing full potential of manufacturing processes to meet the challenging requirements being placed on the surface quality, size, tolerances and production rate of engineering components in this globally competitive scenario. This paper presents an strategy that integrates the Taguchi matrix experimental design, analysis of variances and fuzzy inference system (FIS) to formulate a robust practical multi-performance optimization methodology for complex manufacturing processes like ECH, which involve several control variables. Two methodologies one using a genetic algorithm tuning of FIS (GA-tuned FIS) and another using an adaptive network based fuzzy inference system (ANFIS) have been evaluated for a multi-performance optimization case study of ECH. The actual experimental results confirm their potential for a wide range of machining conditions employed in ECH.

Study to establish cost projections for production of Redox chemicals

NASA Technical Reports Server (NTRS)

Walther, J. F.; Greco, C. C.; Rusinko, R. N.; Wadsworth, A. L., III

1982-01-01

A cost study of four proposed manufacturing processes for redox chemicals for the NASA REDOX Energy Storage System yielded favorable selling prices in the range $0.99 to $1.91/kg of chromic chloride, anhydrous basis, including ferrous chloride. The prices corresponded to specific energy storage costs from under $9 to $17/kWh. A refined and expanded cost analysis of the most favored process yielded a price estimate corresponding to a storage cost of $11/kWh. The findings supported the potential economic viability of the NASA REDOX system.

Washington State University Algae Biofuels Research

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

chen, Shulin; McCormick, Margaret; Sutterlin, Rusty

The goal of this project was to advance algal technologies for the production of biofuels and biochemicals by establishing the Washington State Algae Alliance, a collaboration partnership among two private companies (Targeted Growth, Inc. (TGI), Inventure Chemicals (Inventure) Inc (now Inventure Renewables Inc) and Washington State University (WSU). This project included three major components. The first one was strain development at TGI by genetically engineering cyanobacteria to yield high levels of lipid and other specialty chemicals. The second component was developing an algal culture system at WSU to produce algal biomass as biofuel feedstock year-round in the northern states ofmore » the United States. This system included two cultivation modes, the first one was a phototrophic process and the second a heterotrophic process. The phototrophic process would be used for algae production in open ponds during warm seasons; the heterotrophic process would be used in cold seasons so that year-round production of algal lipid would be possible. In warm seasons the heterotrophic process would also produce algal seeds to be used in the phototrophic culture process. Selected strains of green algae and cyanobacteria developed by TGI were tested in the system. The third component was downstream algal biomass processing by Inventure that included efficiently harvesting the usable fuel fractions from the algae mass and effectively isolating and separating the usable components into specific fractions, and converting isolated fractions into green chemicals.« less

MRI of chemical reactions and processes.

PubMed

Britton, Melanie M

2017-08-01

As magnetic resonance imaging (MRI) can spatially resolve a wealth of molecular information available from nuclear magnetic resonance (NMR), it is able to non-invasively visualise the composition, properties and reactions of a broad range of spatially-heterogeneous molecular systems. Hence, MRI is increasingly finding applications in the study of chemical reactions and processes in a diverse range of environments and technologies. This article will explain the basic principles of MRI and how it can be used to visualise chemical composition and molecular properties, providing an overview of the variety of information available. Examples are drawn from the disciplines of chemistry, chemical engineering, environmental science, physics, electrochemistry and materials science. The review introduces a range of techniques used to produce image contrast, along with the chemical and molecular insight accessible through them. Methods for mapping the distribution of chemical species, using chemical shift imaging or spatially-resolved spectroscopy, are reviewed, as well as methods for visualising physical state, temperature, current density, flow velocities and molecular diffusion. Strategies for imaging materials with low signal intensity, such as those containing gases or low sensitivity nuclei, using compressed sensing, para-hydrogen or polarisation transfer, are discussed. Systems are presented which encapsulate the diversity of chemical and physical parameters observable by MRI, including one- and two-phase flow in porous media, chemical pattern formation, phase transformations and hydrodynamic (fingering) instabilities. Lastly, the emerging area of electrochemical MRI is discussed, with studies presented on the visualisation of electrochemical deposition and dissolution processes during corrosion and the operation of batteries, supercapacitors and fuel cells. Crown Copyright © 2017. Published by Elsevier B.V. All rights reserved.

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.

Self-repair of cracks in brittle material systems

NASA Astrophysics Data System (ADS)

Dry, Carolyn M.

2016-04-01

One of the most effective uses for self repair is in material systems that crack because the cracks can allow the repair chemical to flow into the crack damage sites in all three dimensions. In order for the repair chemical to stay in the damage site and flow along to all the crack and repair there must be enough chemical to fill the entire crack. The repair chemical must be designed appropriately for the particular crack size and total volume of cracks. In each of the three examples of self repair in crackable brittle systems, the viscosity and chemical makeup and volume of the repair chemicals used is different for each system. Further the chemical delivery system has to be designed for each application also. Test results from self repair of three brittle systems are discussed. In "Self Repair of Concrete Bridges and Infrastructure" two chemicals were used due to different placements in bridges to repair different types of cracks- surface shrinkage and shear cracks, In "Airplane Wings and Fuselage, in Graphite" the composite has very different properties than the concrete bridges. In the graphite for airplane components the chemical also had to survive the high processing temperatures. In this composite the cracks were so definite and deep and thin that the repair chemical could flow easily and repair in all layers of the composite. In "Ceramic/Composite Demonstrating Self Repair" the self repair system not only repaired the broken ceramic but also rebounded the composite to the ceramic layer

Chemical Evolution of a Protoplanetary Disk

NASA Astrophysics Data System (ADS)

Semenov, Dmitry A.

2011-12-01

In this paper we review recent progress in our understanding of the chemical evolution of protoplanetary disks. Current observational constraints and theoretical modeling on the chemical composition of gas and dust in these systems are presented. Strong variations of temperature, density, high-energy radiation intensities in these disks, both radially and vertically, result in a peculiar disk chemical structure, where a variety of processes are active. In hot, dilute and heavily irradiated atmosphere only the most photostable simple radicals and atoms and atomic ions exist, formed by gas-phase processes. Beneath the atmosphere a partly UV-shielded, warm molecular layer is located, where high-energy radiation drives rich ion-molecule and radical-radical chemistry, both in the gas phase and on dust surfaces. In a cold, dense, dark disk midplane many molecules are frozen out, forming thick icy mantles where surface chemistry is active and where complex polyatomic (organic) species are synthesized. Dynamical processes affect disk chemical composition by enriching it in abundances of complex species produced via slow surface processes, which will become detectable with ALMA.

Mathematical methods to analysis of topology, functional variability and evolution of metabolic systems based on different decomposition concepts.

PubMed

Mrabet, Yassine; Semmar, Nabil

2010-05-01

Complexity of metabolic systems can be undertaken at different scales (metabolites, metabolic pathways, metabolic network map, biological population) and under different aspects (structural, functional, evolutive). To analyse such a complexity, metabolic systems need to be decomposed into different components according to different concepts. Four concepts are presented here consisting in considering metabolic systems as sets of metabolites, chemical reactions, metabolic pathways or successive processes. From a metabolomic dataset, such decompositions are performed using different mathematical methods including correlation, stiochiometric, ordination, classification, combinatorial and kinetic analyses. Correlation analysis detects and quantifies affinities/oppositions between metabolites. Stoichiometric analysis aims to identify the organisation of a metabolic network into different metabolic pathways on the hand, and to quantify/optimize the metabolic flux distribution through the different chemical reactions of the system. Ordination and classification analyses help to identify different metabolic trends and their associated metabolites in order to highlight chemical polymorphism representing different variability poles of the metabolic system. Then, metabolic processes/correlations responsible for such a polymorphism can be extracted in silico by combining metabolic profiles representative of different metabolic trends according to a weighting bootstrap approach. Finally evolution of metabolic processes in time can be analysed by different kinetic/dynamic modelling approaches.

CHEMICAL PROCESSES AND MODELING IN ECOSYSTEMS

EPA Science Inventory

Trends in regulatory strategies require EPA to understand better chemical behavior in natural and impacted ecosystems and in biological systems to carry out the increasingly complex array of exposure and risk assessments needed to develop scientifically defensible regulations (GP...

Process Analyzer

NASA Technical Reports Server (NTRS)

1994-01-01

The ChemScan UV-6100 is a spectrometry system originally developed by Biotronics Technologies, Inc. under a Small Business Innovation Research (SBIR) contract. It is marketed to the water and wastewater treatment industries, replacing "grab sampling" with on-line data collection. It analyzes the light absorbance characteristics of a water sample, simultaneously detects hundreds of individual wavelengths absorbed by chemical substances in a process solution, and quantifies the information. Spectral data is then processed by ChemScan analyzer and compared with calibration files in the system's memory in order to calculate concentrations of chemical substances that cause UV light absorbance in specific patterns. Monitored substances can be analyzed for quality and quantity. Applications include detection of a variety of substances, and the information provided enables an operator to control a process more efficiently.

Technology resource document for the assembled chemical weapons assessment environmental impact statement. Vol. 4 : assembled systems for weapons destruction at Pueblo Chemical Depot.

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

Kimmell, T.; Folga, S., Frey, G.; Molberg, J.

2001-04-30

This volume of the Technical Resource Document (TRD) for the ''Environmental Impact Statement (EIS) for the Design, Construction and Operation of One or More Pilot Test Facilities for Assembled Chemical Weapons Destruction Technologies at One or More Sites'' (PMACWA 2001c) pertains to the destruction of assembled chemical weapons (ACW) stored at Pueblo Chemical Depot (PCD), located outside Pueblo, Colorado. This volume presents technical and process information on each of the destruction technologies applicable to treatment of the specific ACW stored at PCD. The destruction technologies described are those that have been demonstrated during Phase I of the Assembled Chemical Weaponsmore » Assessment (ACWA) demonstration process (see Volume 1).« less

Automated Simulation For Analysis And Design

NASA Technical Reports Server (NTRS)

Cantwell, E.; Shenk, Tim; Robinson, Peter; Upadhye, R.

1992-01-01

Design Assistant Workstation (DAWN) software being developed to facilitate simulation of qualitative and quantitative aspects of behavior of life-support system in spacecraft, chemical-processing plant, heating and cooling system of large building, or any of variety of systems including interacting process streams and processes. Used to analyze alternative design scenarios or specific designs of such systems. Expert system will automate part of design analysis: reason independently by simulating design scenarios and return to designer with overall evaluations and recommendations.

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.

Final Report: Development of a Chemical Model to Predict the Interactions between Supercritical CO2, Fluid and Rock in EGS Reservoirs

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

McPherson, Brian J.; Pan, Feng

2014-09-24

This report summarizes development of a coupled-process reservoir model for simulating enhanced geothermal systems (EGS) that utilize supercritical carbon dioxide as a working fluid. Specifically, the project team developed an advanced chemical kinetic model for evaluating important processes in EGS reservoirs, such as mineral precipitation and dissolution at elevated temperature and pressure, and for evaluating potential impacts on EGS surface facilities by related chemical processes. We assembled a new database for better-calibrated simulation of water/brine/ rock/CO2 interactions in EGS reservoirs. This database utilizes existing kinetic and other chemical data, and we updated those data to reflect corrections for elevated temperaturemore » and pressure conditions of EGS reservoirs.« less

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.

Citrus juice extraction systems: effect on chemical composition and antioxidant activity of clementine juice.

PubMed

Álvarez, Rafael; Carvalho, Catarina P; Sierra, Jelver; Lara, Oscar; Cardona, David; Londoño-Londoño, Julian

2012-01-25

Clementines are especially appreciated for their delicious flavor, and recent years have seen a great increase in the consumption of clementine juice. In previous decades, antioxidant compounds have received particular attention because of widely demonstrated beneficial health effects. In this work, the organoleptic, volatile flavor, and antioxidant quality of clementine juice were studied with regard to the influence on them by different juice extraction systems: plug inside fruit and rotating cylinders. The results showed that juice extracted by the former method presented higher yields and hesperidin content, which was related to higher antioxidant activity, demonstrated by ORAC and LDL assays. The organoleptic quality was not affected by the processing technique, whereas there were significant differences in the chemical flavor profile. There are important differences in chemical and functional quality between juice extraction techniques, which must be taken into account when employing processing systems to produce high-quality products.

Nonlinear Systems.

ERIC Educational Resources Information Center

Seider, Warren D.; Ungar, Lyle H.

1987-01-01

Describes a course in nonlinear mathematics courses offered at the University of Pennsylvania which provides an opportunity for students to examine the complex solution spaces that chemical engineers encounter. Topics include modeling many chemical processes, especially those involving reaction and diffusion, auto catalytic reactions, phase…

WORKSHOP ON MONITORING OXIDATION-REDUCTION PROCESSES FOR GROUND-WATER RESTORATION

EPA Science Inventory

Redox conditions are among the most important parameters for controlling contaminant transport and fate in ground-water systems. Oxidation-reduction (redox) reactions mediate the chemical behavior of both inorganic and organic chemical constituents by affecting solubility, rea...

Computational systems chemical biology.

PubMed

Oprea, Tudor I; May, Elebeoba E; Leitão, Andrei; Tropsha, Alexander

2011-01-01

There is a critical need for improving the level of chemistry awareness in systems biology. The data and information related to modulation of genes and proteins by small molecules continue to accumulate at the same time as simulation tools in systems biology and whole body physiologically based pharmacokinetics (PBPK) continue to evolve. We called this emerging area at the interface between chemical biology and systems biology systems chemical biology (SCB) (Nat Chem Biol 3: 447-450, 2007).The overarching goal of computational SCB is to develop tools for integrated chemical-biological data acquisition, filtering and processing, by taking into account relevant information related to interactions between proteins and small molecules, possible metabolic transformations of small molecules, as well as associated information related to genes, networks, small molecules, and, where applicable, mutants and variants of those proteins. There is yet an unmet need to develop an integrated in silico pharmacology/systems biology continuum that embeds drug-target-clinical outcome (DTCO) triplets, a capability that is vital to the future of chemical biology, pharmacology, and systems biology. Through the development of the SCB approach, scientists will be able to start addressing, in an integrated simulation environment, questions that make the best use of our ever-growing chemical and biological data repositories at the system-wide level. This chapter reviews some of the major research concepts and describes key components that constitute the emerging area of computational systems chemical biology.

Computational Systems Chemical Biology

PubMed Central

Oprea, Tudor I.; May, Elebeoba E.; Leitão, Andrei; Tropsha, Alexander

2013-01-01

There is a critical need for improving the level of chemistry awareness in systems biology. The data and information related to modulation of genes and proteins by small molecules continue to accumulate at the same time as simulation tools in systems biology and whole body physiologically-based pharmacokinetics (PBPK) continue to evolve. We called this emerging area at the interface between chemical biology and systems biology systems chemical biology, SCB (Oprea et al., 2007). The overarching goal of computational SCB is to develop tools for integrated chemical-biological data acquisition, filtering and processing, by taking into account relevant information related to interactions between proteins and small molecules, possible metabolic transformations of small molecules, as well as associated information related to genes, networks, small molecules and, where applicable, mutants and variants of those proteins. There is yet an unmet need to develop an integrated in silico pharmacology / systems biology continuum that embeds drug-target-clinical outcome (DTCO) triplets, a capability that is vital to the future of chemical biology, pharmacology and systems biology. Through the development of the SCB approach, scientists will be able to start addressing, in an integrated simulation environment, questions that make the best use of our ever-growing chemical and biological data repositories at the system-wide level. This chapter reviews some of the major research concepts and describes key components that constitute the emerging area of computational systems chemical biology. PMID:20838980

Titanium nitride plasma-chemical synthesis with titanium tetrachloride raw material in the DC plasma-arc reactor

NASA Astrophysics Data System (ADS)

Kirpichev, D. E.; Sinaiskiy, M. A.; Samokhin, A. V.; Alexeev, N. V.

2017-04-01

The possibility of plasmochemical synthesis of titanium nitride is demonstrated in the paper. Results of the thermodynamic analysis of TiCl4 - H2 - N2 system are presented; key parameters of TiN synthesis process are calculated. The influence of parameters of plasma-chemical titanium nitride synthesis process in the reactor with an arc plasmatron on characteristics on the produced powders is experimentally investigated. Structure, chemical composition and morphology dependencies on plasma jet enthalpy, stoichiometric excess of hydrogen and nitrogen in a plasma jet are determined.

Coupling Computer-Aided Process Simulation and ...

EPA Pesticide Factsheets

A methodology is described for developing a gate-to-gate life cycle inventory (LCI) of a chemical manufacturing process to support the application of life cycle assessment in the design and regulation of sustainable chemicals. The inventories were derived by first applying process design and simulation of develop a process flow diagram describing the energy and basic material flows of the system. Additional techniques developed by the U.S. Environmental Protection Agency for estimating uncontrolled emissions from chemical processing equipment were then applied to obtain a detailed emission profile for the process. Finally, land use for the process was estimated using a simple sizing model. The methodology was applied to a case study of acetic acid production based on the Cativa tm process. The results reveal improvements in the qualitative LCI for acetic acid production compared to commonly used databases and top-down methodologies. The modeling techniques improve the quantitative LCI results for inputs and uncontrolled emissions. With provisions for applying appropriate emission controls, the proposed method can provide an estimate of the LCI that can be used for subsequent life cycle assessments. As part of its mission, the Agency is tasked with overseeing the use of chemicals in commerce. This can include consideration of a chemical's potential impact on health and safety, resource conservation, clean air and climate change, clean water, and sustainable

DEVELOPMENT AND APPLICATION OF A NEW AIR POLLUTION MODELING SYSTEM--II. AEROSOL MODULE STRUCTURE AND DESIGN (R823186)

EPA Science Inventory

The methods used for simulating aerosol physical and chemical processes in a new air pollution modeling system are discussed and analyzed. Such processes include emissions, nucleation, coagulation, reversible chemistry, condensation, dissolution, evaporation, irreversible chem...

Achieving Chemical Equilibrium: The Role of Imposed Conditions in the Ammonia Formation Reaction

ERIC Educational Resources Information Center

Tellinghuisen, Joel

2006-01-01

Under conditions of constant temperature T and pressure P, chemical equilibrium occurs in a closed system (fixed mass) when the Gibbs free energy G of the reaction mixture is minimized. However, when chemical reactions occur under other conditions, other thermodynamic functions are minimized or maximized. For processes at constant T and volume V,…

Chemical biology 2012: from drug targets to biological systems and back.

PubMed

Socher, Elke; Grossmann, Tom N

2013-01-02

Multiple sites sharing a common target: This year's EMBO conference on chemical biology encouraged over 340 researchers to come to Heidelberg, Germany, and discuss the use of diverse chemical strategies and tools to investigate biological questions and better understand cellular processes. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Developing and Evaluating an Eighth Grade Curriculum Unit That Links Foundational Chemistry to Biological Growth: Designing Professional Development to Support Teaching

ERIC Educational Resources Information Center

Kruse, Rebecca; Howes, Elaine V.; Carlson, Janet; Roth, Kathleen; Bourdelat-Parks, Brooke

2013-01-01

AAAS and BSCS are collaborating to develop and study a curriculum unit that supports students' ability to explain a variety of biological processes such as growth in chemical terms. The unit provides conceptual coherence between chemical processes in nonliving and living systems through the core idea of atom rearrangement and conservation during…

Temporal Control over Transient Chemical Systems using Structurally Diverse Chemical Fuels.

PubMed

Chen, Jack L-Y; Maiti, Subhabrata; Fortunati, Ilaria; Ferrante, Camilla; Prins, Leonard J

2017-08-25

The next generation of adaptive, intelligent chemical systems will rely on a continuous supply of energy to maintain the functional state. Such systems will require chemical methodology that provides precise control over the energy dissipation process, and thus, the lifetime of the transiently activated function. This manuscript reports on the use of structurally diverse chemical fuels to control the lifetime of two different systems under dissipative conditions: transient signal generation and the transient formation of self-assembled aggregates. The energy stored in the fuels is dissipated at different rates by an enzyme, which installs a dependence of the lifetime of the active system on the chemical structure of the fuel. In the case of transient signal generation, it is shown that different chemical fuels can be used to generate a vast range of signal profiles, allowing temporal control over two orders of magnitude. Regarding self-assembly under dissipative conditions, the ability to control the lifetime using different fuels turns out to be particularly important as stable aggregates are formed only at well-defined surfactant/fuel ratios, meaning that temporal control cannot be achieved by simply changing the fuel concentration. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemical Sensor Systems and Associated Algorithms for Fire Detection: A Review.

PubMed

Fonollosa, Jordi; Solórzano, Ana; Marco, Santiago

2018-02-11

Indoor fire detection using gas chemical sensing has been a subject of investigation since the early nineties. This approach leverages the fact that, for certain types of fire, chemical volatiles appear before smoke particles do. Hence, systems based on chemical sensing can provide faster fire alarm responses than conventional smoke-based fire detectors. Moreover, since it is known that most casualties in fires are produced from toxic emissions rather than actual burns, gas-based fire detection could provide an additional level of safety to building occupants. In this line, since the 2000s, electrochemical cells for carbon monoxide sensing have been incorporated into fire detectors. Even systems relying exclusively on gas sensors have been explored as fire detectors. However, gas sensors respond to a large variety of volatiles beyond combustion products. As a result, chemical-based fire detectors require multivariate data processing techniques to ensure high sensitivity to fires and false alarm immunity. In this paper, we the survey toxic emissions produced in fires and defined standards for fire detection systems. We also review the state of the art of chemical sensor systems for fire detection and the associated signal and data processing algorithms. We also examine the experimental protocols used for the validation of the different approaches, as the complexity of the test measurements also impacts on reported sensitivity and specificity measures. All in all, further research and extensive test under different fire and nuisance scenarios are still required before gas-based fire detectors penetrate largely into the market. Nevertheless, the use of dynamic features and multivariate models that exploit sensor correlations seems imperative.

Chemical Sensor Systems and Associated Algorithms for Fire Detection: A Review

PubMed Central

Fonollosa, Jordi

2018-01-01

Indoor fire detection using gas chemical sensing has been a subject of investigation since the early nineties. This approach leverages the fact that, for certain types of fire, chemical volatiles appear before smoke particles do. Hence, systems based on chemical sensing can provide faster fire alarm responses than conventional smoke-based fire detectors. Moreover, since it is known that most casualties in fires are produced from toxic emissions rather than actual burns, gas-based fire detection could provide an additional level of safety to building occupants. In this line, since the 2000s, electrochemical cells for carbon monoxide sensing have been incorporated into fire detectors. Even systems relying exclusively on gas sensors have been explored as fire detectors. However, gas sensors respond to a large variety of volatiles beyond combustion products. As a result, chemical-based fire detectors require multivariate data processing techniques to ensure high sensitivity to fires and false alarm immunity. In this paper, we the survey toxic emissions produced in fires and defined standards for fire detection systems. We also review the state of the art of chemical sensor systems for fire detection and the associated signal and data processing algorithms. We also examine the experimental protocols used for the validation of the different approaches, as the complexity of the test measurements also impacts on reported sensitivity and specificity measures. All in all, further research and extensive test under different fire and nuisance scenarios are still required before gas-based fire detectors penetrate largely into the market. Nevertheless, the use of dynamic features and multivariate models that exploit sensor correlations seems imperative. PMID:29439490

The role of non-equilibrium fluxes in the relaxation processes of the linear chemical master equation

NASA Astrophysics Data System (ADS)

de Oliveira, Luciana Renata; Bazzani, Armando; Giampieri, Enrico; Castellani, Gastone C.

2014-08-01

We propose a non-equilibrium thermodynamical description in terms of the Chemical Master Equation (CME) to characterize the dynamics of a chemical cycle chain reaction among m different species. These systems can be closed or open for energy and molecules exchange with the environment, which determines how they relax to the stationary state. Closed systems reach an equilibrium state (characterized by the detailed balance condition (D.B.)), while open systems will reach a non-equilibrium steady state (NESS). The principal difference between D.B. and NESS is due to the presence of chemical fluxes. In the D.B. condition the fluxes are absent while for the NESS case, the chemical fluxes are necessary for the state maintaining. All the biological systems are characterized by their "far from equilibrium behavior," hence the NESS is a good candidate for a realistic description of the dynamical and thermodynamical properties of living organisms. In this work we consider a CME written in terms of a discrete Kolmogorov forward equation, which lead us to write explicitly the non-equilibrium chemical fluxes. For systems in NESS, we show that there is a non-conservative "external vector field" whose is linearly proportional to the chemical fluxes. We also demonstrate that the modulation of these external fields does not change their stationary distributions, which ensure us to study the same system and outline the differences in the system's behavior when it switches from the D.B. regime to NESS. We were interested to see how the non-equilibrium fluxes influence the relaxation process during the reaching of the stationary distribution. By performing analytical and numerical analysis, our central result is that the presence of the non-equilibrium chemical fluxes reduces the characteristic relaxation time with respect to the D.B. condition. Within a biochemical and biological perspective, this result can be related to the "plasticity property" of biological systems and to their capabilities to switch from one state to another as is observed during synaptic plasticity, cell fate determination, and differentiation.

The role of non-equilibrium fluxes in the relaxation processes of the linear chemical master equation.

PubMed

de Oliveira, Luciana Renata; Bazzani, Armando; Giampieri, Enrico; Castellani, Gastone C

2014-08-14

We propose a non-equilibrium thermodynamical description in terms of the Chemical Master Equation (CME) to characterize the dynamics of a chemical cycle chain reaction among m different species. These systems can be closed or open for energy and molecules exchange with the environment, which determines how they relax to the stationary state. Closed systems reach an equilibrium state (characterized by the detailed balance condition (D.B.)), while open systems will reach a non-equilibrium steady state (NESS). The principal difference between D.B. and NESS is due to the presence of chemical fluxes. In the D.B. condition the fluxes are absent while for the NESS case, the chemical fluxes are necessary for the state maintaining. All the biological systems are characterized by their "far from equilibrium behavior," hence the NESS is a good candidate for a realistic description of the dynamical and thermodynamical properties of living organisms. In this work we consider a CME written in terms of a discrete Kolmogorov forward equation, which lead us to write explicitly the non-equilibrium chemical fluxes. For systems in NESS, we show that there is a non-conservative "external vector field" whose is linearly proportional to the chemical fluxes. We also demonstrate that the modulation of these external fields does not change their stationary distributions, which ensure us to study the same system and outline the differences in the system's behavior when it switches from the D.B. regime to NESS. We were interested to see how the non-equilibrium fluxes influence the relaxation process during the reaching of the stationary distribution. By performing analytical and numerical analysis, our central result is that the presence of the non-equilibrium chemical fluxes reduces the characteristic relaxation time with respect to the D.B. condition. Within a biochemical and biological perspective, this result can be related to the "plasticity property" of biological systems and to their capabilities to switch from one state to another as is observed during synaptic plasticity, cell fate determination, and differentiation.

Chemical evolution: A solar system perspective

NASA Technical Reports Server (NTRS)

Oro, J.

1989-01-01

During the last three decades major advances were made in the understanding of the formation of carbon compounds in the universe and of the occurrence of processes of chemical evolution in the solar system and beyond. This was made possible by the development of new astronomical techniques and by the exploration of the solar system by means of properly instrumented spacecraft. Some of the major findings made as a result of these observations are summarized.

Transition metal mediated transformations of small molecules

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

Sen, Ayusman

Catalysis at metal centers is of great scientific, as well as practical, importance because of the high efficiency, high specificity, and low energy demands often associated with such systems. The two major themes of our research are (a) the design of metal-based systems for the synthesis of novel classes of polymers and (b) the identification of new metal-catalyzed systems for the conversion of biomass to fuels and chemicals, and related “green” chemical processes.

Dry soldering with hot filament produced atomic hydrogen

DOEpatents

Panitz, J.K.G.; Jellison, J.L.; Staley, D.J.

1995-04-25

A system is disclosed for chemically transforming metal surface oxides to metal that is especially, but not exclusively, suitable for preparing metal surfaces for dry soldering and solder reflow processes. The system employs one or more hot, refractory metal filaments, grids or surfaces to thermally dissociate molecular species in a low pressure of working gas such as a hydrogen-containing gas to produce reactive species in a reactive plasma that can chemically reduce metal oxides and form volatile compounds that are removed in the working gas flow. Dry soldering and solder reflow processes are especially applicable to the manufacture of printed circuit boards, semiconductor chip lead attachment and packaging multichip modules. The system can be retrofitted onto existing metal treatment ovens, furnaces, welding systems and wave soldering system designs. 1 fig.

Time-Resolved Quantum Cascade Laser Absorption Spectroscopy of Pulsed Plasma Assisted Chemical Vapor Deposition Processes Containing BCl3

NASA Astrophysics Data System (ADS)

Lang, Norbert; Hempel, Frank; Strämke, Siegfried; Röpcke, Jürgen

2011-08-01

In situ measurements are reported giving insight into the plasma chemical conversion of the precursor BCl3 in industrial applications of boriding plasmas. For the online monitoring of its ground state concentration, quantum cascade laser absorption spectroscopy (QCLAS) in the mid-infrared spectral range was applied in a plasma assisted chemical vapor deposition (PACVD) reactor. A compact quantum cascade laser measurement and control system (Q-MACS) was developed to allow a flexible and completely dust-sealed optical coupling to the reactor chamber of an industrial plasma surface modification system. The process under the study was a pulsed DC plasma with periodically injected BCl3 at 200 Pa. A synchronization of the Q-MACS with the process control unit enabled an insight into individual process cycles with a sensitivity of 10-6 cm-1·Hz-1/2. Different fragmentation rates of the precursor were found during an individual process cycle. The detected BCl3 concentrations were in the order of 1014 molecules·cm-3. The reported results of in situ monitoring with QCLAS demonstrate the potential for effective optimization procedures in industrial PACVD processes.

Orchestration of Molecular Information through Higher Order Chemical Recognition

NASA Astrophysics Data System (ADS)

Frezza, Brian M.

Broadly defined, higher order chemical recognition is the process whereby discrete chemical building blocks capable of specifically binding to cognate moieties are covalently linked into oligomeric chains. These chains, or sequences, are then able to recognize and bind to their cognate sequences with a high degree of cooperativity. Principally speaking, DNA and RNA are the most readily obtained examples of this chemical phenomenon, and function via Watson-Crick cognate pairing: guanine pairs with cytosine and adenine with thymine (DNA) or uracil (RNA), in an anti-parallel manner. While the theoretical principles, techniques, and equations derived herein apply generally to any higher-order chemical recognition system, in practice we utilize DNA oligomers as a model-building material to experimentally investigate and validate our hypotheses. Historically, general purpose information processing has been a task limited to semiconductor electronics. Molecular computing on the other hand has been limited to ad hoc approaches designed to solve highly specific and unique computation problems, often involving components or techniques that cannot be applied generally in a manner suitable for precise and predictable engineering. Herein, we provide a fundamental framework for harnessing high-order recognition in a modular and programmable fashion to synthesize molecular information process networks of arbitrary construction and complexity. This document provides a solid foundation for routinely embedding computational capability into chemical and biological systems where semiconductor electronics are unsuitable for practical application.

Development of Chemical Process Design and Control for Sustainability

EPA Science Inventory

This contribution describes a novel process systems engineering framework that couples advanced control with sustainability evaluation and decision making for the optimization of process operations to minimize environmental impacts associated with products, materials, and energy....

A novel double loop control model design for chemical unstable processes.

PubMed

Cong, Er-Ding; Hu, Ming-Hui; Tu, Shan-Tung; Xuan, Fu-Zhen; Shao, Hui-He

2014-03-01

In this manuscript, based on Smith predictor control scheme for unstable process in industry, an improved double loop control model is proposed for chemical unstable processes. Inner loop is to stabilize integrating the unstable process and transform the original process to first-order plus pure dead-time dynamic stable process. Outer loop is to enhance the performance of set point response. Disturbance controller is designed to enhance the performance of disturbance response. The improved control system is simple with exact physical meaning. The characteristic equation is easy to realize stabilization. Three controllers are separately design in the improved scheme. It is easy to design each controller and good control performance for the respective closed-loop transfer function separately. The robust stability of the proposed control scheme is analyzed. Finally, case studies illustrate that the improved method can give better system performance than existing design methods. © 2013 ISA Published by ISA All rights reserved.

Principles and Techniques of Radiation Chemistry.

ERIC Educational Resources Information Center

Dorfman, Leon M.

1981-01-01

Discusses the physical processes involved in the deposition of energy from ionizing radiation in the absorber system. Identifies principles relevant to these processes which are responsible for ionization and excitation of the components of the absorber system. Briefly describes some experimental techniques in use in radiation chemical studies.…

Molecular gearing systems

DOE PAGES

Gakh, Andrei A.; Sachleben, Richard A.; Bryan, Jeff C.

1997-11-01

The race to create smaller devices is fueling much of the research in electronics. The competition has intensified with the advent of microelectromechanical systems (MEMS), in which miniaturization is already reaching the dimensional limits imposed by physics of current lithographic techniques. Also, in the realm of biochemistry, evidence is accumulating that certain enzyme complexes are capable of very sophisticated modes of motion. Complex synergistic biochemical complexes driven by sophisticated biomechanical processes are quite common. Their biochemical functions are based on the interplay of mechanical and chemical processes, including allosteric effects. In addition, the complexity of this interplay far exceeds thatmore » of typical chemical reactions. Understanding the behavior of artificial molecular devices as well as complex natural molecular biomechanical systems is difficult. Fortunately, the problem can be successfully resolved by direct molecular engineering of simple molecular systems that can mimic desired mechanical or electronic devices. These molecular systems are called technomimetics (the name is derived, by analogy, from biomimetics). Several classes of molecular systems that can mimic mechanical, electronic, or other features of macroscopic devices have been successfully synthesized by conventional chemical methods during the past two decades. In this article we discuss only one class of such model devices: molecular gearing systems.« less

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.

Silicon Chemical Vapor Deposition Process Using a Half-Inch Silicon Wafer for Minimal Manufacturing System

NASA Astrophysics Data System (ADS)

Li, Ning; Habuka, Hitoshi; Ikeda, Shin-ichi; Hara, Shiro

A chemical vapor deposition reactor for producing thin silicon films was designed and developed for achieving a new electronic device production system, the Minimal Manufacturing, using a half-inch wafer. This system requires a rapid process by a small footprint reactor. This was designed and verified by employing the technical issues, such as (i) vertical gas flow, (ii) thermal operation using a highly concentrated infrared flux, and (iii) reactor cleaning by chlorine trifluoride gas. The combination of (i) and (ii) could achieve a low heating power and a fast cooling designed by the heat balance of the small wafer placed at a position outside of the reflector. The cleaning process could be rapid by (iii). The heating step could be skipped because chlorine trifluoride gas was reactive at any temperature higher than room temperature.

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.

In situ Probe Science at Saturn

NASA Technical Reports Server (NTRS)

Atkinson, D.H.; Lunine, J.I.; Simon-Miller, A. A.; Atreya, S. K.; Brinckerhoff, W.; Colaprete, A.; Coustenis, A.; Fletcher, L. N.; Guillot, T.; Lebreton, J.-P.;

Transfer behavior of odorous pollutants in wastewater sludge system under typical chemical conditioning processes for dewaterability enhancement.

PubMed

Gao, Hongyu; Zhang, Weijun; Song, Zhenzhen; Yang, Xiaofang; Yang, Lian; Cao, Mengdi; Wang, Dongsheng; Liao, Guiying

2017-06-13

Chemical conditioning has been used for enhancing wastewater sludge dewaterability for many years, but the characteristics of odorous pollutants emission in sludge conditioning were still unclear. In this work, the transfer behavior of different odorous pollutants between air, liquid and solid phases under typical chemical conditioning processes for high-pressure dewatering was systematically investigated. The results indicated that that besides hydrogen sulfide (H 2 S) and ammonia (NH 3 ), 21 kinds of volatile organic contaminants (VOCs) were identified and quantified by gas chromatography-mass spectrometry (GC-MS), while the concentrations and composition of odorous pollutants varied greatly for different conditioning processes. VOCs were composed by three main constituents including benzenes, halogeno benzene and hydrocarbons. According to mass balance analysis, about 50% of VOCs adsorbed within sludge extracellular polymeric substances (EPS) fraction. Since EPS was damaged and/or flocculation in different chemical conditioning processes, VOCs distributed in solid phase transformed into liquid phase and then released into air. The discrepancies in mass of odorous pollutants before and after chemical conditioning were likely to be related to chemical conversion under acidification, oxidation and precipitation in the presence of ferric ions.

COMPARATIVE EVALUATION OF GC/MS (GAS CHROMATOGRAPHY/MASS SPECTROMETRY) DATA ANALYSIS PROCESSING

EPA Science Inventory

Mass spectra obtained by fused silica capillary gas chromatography/mass spectrometry/data system (GC/MS/DS) analysis of mixtures of organic chemicals adsorbed on Tenax GC cartridges was subjected to manual and automated interpretative techniques. Synthetic mixtures (85 chemicals ...

7 CFR 2900.3 - Essential agricultural uses.

Code of Federal Regulations, 2010 CFR

2010-01-01

...). 4971Irrigation Systems. Fertilizer and Agricultural Chemicals (Process and Feedstock Use Only) 1474Potash, Soda.... (Agricultural related only). 2865Cyclic Crudes and Cyclic Intermediates, Dyes and Organic Pigments (Agricutural related only). 2869Industrial Organic Chemicals, n.e.c. (Agricutural related only). 287Agricultural...

Recent Developments in the Application of Biologically Inspired Computation to Chemical Sensing

NASA Astrophysics Data System (ADS)

Marco, S.; Gutierrez-Gálvez, A.

2009-05-01

Biological olfaction outperforms chemical instrumentation in specificity, response time, detection limit, coding capacity, time stability, robustness, size, power consumption, and portability. This biological function provides outstanding performance due, to a large extent, to the unique architecture of the olfactory pathway, which combines a high degree of redundancy, an efficient combinatorial coding along with unmatched chemical information processing mechanisms. The last decade has witnessed important advances in the understanding of the computational primitives underlying the functioning of the olfactory system. In this work, the state of the art concerning biologically inspired computation for chemical sensing will be reviewed. Instead of reviewing the whole body of computational neuroscience of olfaction, we restrict this review to the application of models to the processing of real chemical sensor data.

Physico-chemical characterization of natural fermentation process of Conservolea and Kalamàta table olives and developement of a protocol for the pre-selection of fermentation starters.

PubMed

Bleve, Gianluca; Tufariello, Maria; Durante, Miriana; Grieco, Francesco; Ramires, Francesca Anna; Mita, Giovanni; Tasioula-Margari, Maria; Logrieco, Antonio Francesco

2015-04-01

Table olives are one of the most important traditional fermented vegetables in Europe and their world consumption is constantly increasing. Conservolea and Kalamàta are the most important table olives Greek varieties. In the Greek system, the final product is obtained by spontaneous fermentations, without any chemical debittering treatment. This natural fermentation process is not predictable and strongly influenced by the physical-chemical conditions and by the presence of microorganisms contaminating the olives. Natural fermentations of Conservolea and Kalamàta cultivars black olives were studied in order to determine microbiological, biochemical and chemical evolution during the process. Following the process conditions generally used by producers, in both cultivars, yeasts were detected throughout the fermentation, whereas lactic acid bacteria (LAB) appeared in the last staged of the process. A new optimized specific protocol was developed to select autochthonous yeast and LAB isolates that can be good candidates as starters. These microorganisms were pre-selected for their ability to adapt to model brines, to have beta-glucosidase activity, not to produce biogenic amines. Chemical compounds deriving by microbiological activities and associated to the three different phases (30, 90 and 180 days) of the fermentation process were identified and were proposed as chemical descriptors to follow the fermentation progress. Copyright © 2014 Elsevier Ltd. All rights reserved.

The efficiency of driving chemical reactions by a physical non-equilibrium is kinetically controlled.

PubMed

Göppel, Tobias; Palyulin, Vladimir V; Gerland, Ulrich

2016-07-27

An out-of-equilibrium physical environment can drive chemical reactions into thermodynamically unfavorable regimes. Under prebiotic conditions such a coupling between physical and chemical non-equilibria may have enabled the spontaneous emergence of primitive evolutionary processes. Here, we study the coupling efficiency within a theoretical model that is inspired by recent laboratory experiments, but focuses on generic effects arising whenever reactant and product molecules have different transport coefficients in a flow-through system. In our model, the physical non-equilibrium is represented by a drift-diffusion process, which is a valid coarse-grained description for the interplay between thermophoresis and convection, as well as for many other molecular transport processes. As a simple chemical reaction, we consider a reversible dimerization process, which is coupled to the transport process by different drift velocities for monomers and dimers. Within this minimal model, the coupling efficiency between the non-equilibrium transport process and the chemical reaction can be analyzed in all parameter regimes. The analysis shows that the efficiency depends strongly on the Damköhler number, a parameter that measures the relative timescales associated with the transport and reaction kinetics. Our model and results will be useful for a better understanding of the conditions for which non-equilibrium environments can provide a significant driving force for chemical reactions in a prebiotic setting.

Trade Study of Five In-Situ Propellant Production System for a Mars Sample Return Mission

NASA Technical Reports Server (NTRS)

Green, S. T.; Deffenbaugh, D. M.; Miller, M. A.

1999-01-01

One of the goals of NASA''s HEDS enterprise is to establish a long-term human presence on Mars at a fraction of the cost of employing today''s technology. The most direct method of reducing mission cost is to reduce the launch mass of the spacecraft. If the propellants for the return phase of the mission are produced on Mars, the total spacecraft mass could be reduced significantly. An interim goal is a Mars Sample Return (MSR) mission, which is proposed to demonstrate the feasibility of in-situ propellant production (ISPP). Five candidate ISPP systems for producing two fuels and oxygen from the Martian atmosphere are considered in this design trade-off study:(1) Zirconia cell with methanol synthesis, (2) Reverse water gas shift (RWGS) with water electrolysis and methanol synthesis, (3) Sabatier process for methane production with water electrolysis, (4) Sabatier process with water electrolysis and partial methane pyrolysis, and (5) Sabatier/RWGS combination with water electrolysis. These systems have been the subject of numerous previous analytical studies and laboratory demonstrations. In this investigation, the systems are objectively compared on the basis of thermochemical performance models using a commonly used chemical plant analysis software package. The realistic effects of incomplete chemical conversion and gas phase separator performance are included in these models. This study focuses on the chemical processing and product separation subsystems. The CO2 compression upstream of the chemical plane and the liquefaction/storage components are not included here.

Fusing Sensor Paradigms to Acquire Chemical Information: An Integrative Role for Smart Biopolymeric Hydrogels

PubMed Central

Kim, Eunkyoung; Liu, Yi; Ben-Yoav, Hadar; Winkler, Thomas E.; Yan, Kun; Shi, Xiaowen; Shen, Jana; Kelly, Deanna L.; Ghodssi, Reza; Bentley, William E.

2017-01-01

The Information Age transformed our lives but it has had surprisingly little impact on the way chemical information (e.g., from our biological world) is acquired, analyzed and communicated. Sensor systems are poised to change this situation by providing rapid access to chemical information. This access will be enabled by technological advances from various fields: biology enables the synthesis, design and discovery of molecular recognition elements as well as the generation of cell-based signal processors; physics and chemistry are providing nano-components that facilitate the transmission and transduction of signals rich with chemical information; microfabrication is yielding sensors capable of receiving these signals through various modalities; and signal processing analysis enhances the extraction of chemical information. The authors contend that integral to the development of functional sensor systems will be materials that (i) enable the integrative and hierarchical assembly of various sensing components (for chemical recognition and signal transduction) and (ii) facilitate meaningful communication across modalities. It is suggested that stimuli-responsive self-assembling biopolymers can perform such integrative functions, and redox provides modality-spanning communication capabilities. Recent progress toward the development of electrochemical sensors to manage schizophrenia is used to illustrate the opportunities and challenges for enlisting sensors for chemical information processing. PMID:27616350

Magnetic resonance imaging of chemistry.

PubMed

Britton, Melanie M

2010-11-01

Magnetic resonance imaging (MRI) has long been recognized as one of the most important tools in medical diagnosis and research. However, MRI is also well placed to image chemical reactions and processes, determine the concentration of chemical species, and look at how chemistry couples with environmental factors, such as flow and heterogeneous media. This tutorial review will explain how magnetic resonance imaging works, reviewing its application in chemistry and its ability to directly visualise chemical processes. It will give information on what resolution and contrast are possible, and what chemical and physical parameters can be measured. It will provide examples of the use of MRI to study chemical systems, its application in chemical engineering and the identification of contrast agents for non-clinical applications. A number of studies are presented including investigation of chemical conversion and selectivity in fixed-bed reactors, temperature probes for catalyst pellets, ion mobility during tablet dissolution, solvent dynamics and ion transport in Nafion polymers and the formation of chemical waves and patterns.

Large-Area Chemical and Biological Decontamination Using a High Energy Arc Lamp (HEAL) System.

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

Duty, Chad E; Smith, Rob R; Vass, Arpad Alexander

2008-01-01

Methods for quickly decontaminating large areas exposed to chemical and biological (CB) warfare agents can present significant logistical, manpower, and waste management challenges. Oak Ridge National Laboratory (ORNL) is pursuing an alternate method to decompose CB agents without the use of toxic chemicals or other potentially harmful substances. This process uses a high energy arc lamp (HEAL) system to photochemically decompose CB agents over large areas (12 m2). Preliminary tests indicate that more than 5 decades (99.999%) of an Anthrax spore simulant (Bacillus globigii) were killed in less than 7 seconds of exposure to the HEAL system. When combined withmore » a catalyst material (TiO2) the HEAL system was also effective against a chemical agent simulant, diisopropyl methyl phosphonate (DIMP). These results demonstrate the feasibility of a rapid, large-area chemical and biological decontamination method that does not require toxic or corrosive reagents or generate hazardous wastes.« less

Multi-Scale Modeling of the Gamma Radiolysis of Nitrate Solutions.

PubMed

Horne, Gregory P; Donoclift, Thomas A; Sims, Howard E; Orr, Robin M; Pimblott, Simon M

2016-11-17

A multiscale modeling approach has been developed for the extended time scale long-term radiolysis of aqueous systems. The approach uses a combination of stochastic track structure and track chemistry as well as deterministic homogeneous chemistry techniques and involves four key stages: radiation track structure simulation, the subsequent physicochemical processes, nonhomogeneous diffusion-reaction kinetic evolution, and homogeneous bulk chemistry modeling. The first three components model the physical and chemical evolution of an isolated radiation chemical track and provide radiolysis yields, within the extremely low dose isolated track paradigm, as the input parameters for a bulk deterministic chemistry model. This approach to radiation chemical modeling has been tested by comparison with the experimentally observed yield of nitrite from the gamma radiolysis of sodium nitrate solutions. This is a complex radiation chemical system which is strongly dependent on secondary reaction processes. The concentration of nitrite is not just dependent upon the evolution of radiation track chemistry and the scavenging of the hydrated electron and its precursors but also on the subsequent reactions of the products of these scavenging reactions with other water radiolysis products. Without the inclusion of intratrack chemistry, the deterministic component of the multiscale model is unable to correctly predict experimental data, highlighting the importance of intratrack radiation chemistry in the chemical evolution of the irradiated system.

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.

Decide, design, and dewater de waste: A blueprint from Fitzpatrick

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

Robert, D.E.

1994-04-01

Using a different process to clean concentrated waste tanks at the James A. FitzPatrick nuclear power plant in New York saved nearly half million dollars. The plan essentially allowed processing concentrator bottoms as waste sludge (solidification versus dewatering) that could still meet burial ground requirements. The process reduced the volume from 802.2 to 55 cubic feet. This resin throwaway system eliminated chemicals in the radwaste systems and was designed to ease pressure on the pradwaste processing system, reduce waste and improve plant chemistry. This article discusses general aspects of the process.

Sensor selection and chemo-sensory optimization: toward an adaptable chemo-sensory system.

PubMed

Vergara, Alexander; Llobet, Eduard

2011-01-01

Over the past two decades, despite the tremendous research on chemical sensors and machine olfaction to develop micro-sensory systems that will accomplish the growing existent needs in personal health (implantable sensors), environment monitoring (widely distributed sensor networks), and security/threat detection (chemo/bio warfare agents), simple, low-cost molecular sensing platforms capable of long-term autonomous operation remain beyond the current state-of-the-art of chemical sensing. A fundamental issue within this context is that most of the chemical sensors depend on interactions between the targeted species and the surfaces functionalized with receptors that bind the target species selectively, and that these binding events are coupled with transduction processes that begin to change when they are exposed to the messy world of real samples. With the advent of fundamental breakthroughs at the intersection of materials science, micro- and nano-technology, and signal processing, hybrid chemo-sensory systems have incorporated tunable, optimizable operating parameters, through which changes in the response characteristics can be modeled and compensated as the environmental conditions or application needs change. The objective of this article, in this context, is to bring together the key advances at the device, data processing, and system levels that enable chemo-sensory systems to "adapt" in response to their environments. Accordingly, in this review we will feature the research effort made by selected experts on chemical sensing and information theory, whose work has been devoted to develop strategies that provide tunability and adaptability to single sensor devices or sensory array systems. Particularly, we consider sensor-array selection, modulation of internal sensing parameters, and active sensing. The article ends with some conclusions drawn from the results presented and a visionary look toward the future in terms of how the field may evolve.

Sensor Selection and Chemo-Sensory Optimization: Toward an Adaptable Chemo-Sensory System

PubMed Central

Vergara, Alexander; Llobet, Eduard

2011-01-01

Over the past two decades, despite the tremendous research on chemical sensors and machine olfaction to develop micro-sensory systems that will accomplish the growing existent needs in personal health (implantable sensors), environment monitoring (widely distributed sensor networks), and security/threat detection (chemo/bio warfare agents), simple, low-cost molecular sensing platforms capable of long-term autonomous operation remain beyond the current state-of-the-art of chemical sensing. A fundamental issue within this context is that most of the chemical sensors depend on interactions between the targeted species and the surfaces functionalized with receptors that bind the target species selectively, and that these binding events are coupled with transduction processes that begin to change when they are exposed to the messy world of real samples. With the advent of fundamental breakthroughs at the intersection of materials science, micro- and nano-technology, and signal processing, hybrid chemo-sensory systems have incorporated tunable, optimizable operating parameters, through which changes in the response characteristics can be modeled and compensated as the environmental conditions or application needs change. The objective of this article, in this context, is to bring together the key advances at the device, data processing, and system levels that enable chemo-sensory systems to “adapt” in response to their environments. Accordingly, in this review we will feature the research effort made by selected experts on chemical sensing and information theory, whose work has been devoted to develop strategies that provide tunability and adaptability to single sensor devices or sensory array systems. Particularly, we consider sensor-array selection, modulation of internal sensing parameters, and active sensing. The article ends with some conclusions drawn from the results presented and a visionary look toward the future in terms of how the field may evolve. PMID:22319492

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.

Modeling Chemical and Isotopic Variations in Lab Formed Hydrothermal Carbonates

NASA Technical Reports Server (NTRS)

Niles, P. B.; Leshin, L. A.; Golden, D. C.; Socki, R. A.; Guan, Y.; Ming, D. W.

2005-01-01

Chemical and mineralogical data (e.g. [1]) from Mars suggest that the history of liquid water on the planet was more sporadic in nature than long-lived. The non-equilibrium chemical and isotopic compositions of the carbonates preserved in the martian meteorite ALH84001 are direct evidence of ancient secondary minerals that have not undergone significant diagenesis or stabilization processes typical of long-lived aqueous systems on Earth. Thus secondary minerals and sediments on Mars may primarily record the characteristics of the aqueous environment in which they formed without being significantly overprinted by subsequent diagenetic processes during burial.

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.

Reaction-diffusion processes at the nano- and microscales

NASA Astrophysics Data System (ADS)

Epstein, Irving R.; Xu, Bing

2016-04-01

The bottom-up fabrication of nano- and microscale structures from primary building blocks (molecules, colloidal particles) has made remarkable progress over the past two decades, but most research has focused on structural aspects, leaving our understanding of the dynamic and spatiotemporal aspects at a relatively primitive stage. In this Review, we draw inspiration from living cells to argue that it is now time to move beyond the generation of structures and explore dynamic processes at the nanoscale. We first introduce nanoscale self-assembly, self-organization and reaction-diffusion processes as essential features of cells. Then, we highlight recent progress towards designing and controlling these fundamental features of life in abiological systems. Specifically, we discuss examples of reaction-diffusion processes that lead to such outcomes as self-assembly, self-organization, unique nanostructures, chemical waves and dynamic order to illustrate their ubiquity within a unifying context of dynamic oscillations and energy dissipation. Finally, we suggest future directions for research on reaction-diffusion processes at the nano- and microscales that we find hold particular promise for a new understanding of science at the nanoscale and the development of new kinds of nanotechnologies for chemical transport, chemical communication and integration with living systems.

Updated CCPS Investigation Guidelines book.

PubMed

Philley, J; Pearson, K; Sepeda, A

2003-11-14

Incident investigation standards and performance criteria continue to improve. In recognition, the Center for Chemical Process Safety (CCPS) undertook a major project to upgrade and update the Incident Investigation Guidelines originally published in 1992. These significantly expanded guidelines provide a practical resource for effective investigation of process-related incidents, and reflect changes in good practices and expectations of regulators. This paper highlights the content of the new guidelines with special emphasis on what is new and improved. Entirely new chapters address the topics of legal considerations, the near-miss event, and continuous improvement of the investigation system. The objective of the guidelines is to allow chemical process organizations to develop and implement an incident investigation management system that is effective in identifying underlying causes.

Closed-Loop Control of Chemical Injection Rate for a Direct Nozzle Injection System.

PubMed

Cai, Xiang; Walgenbach, Martin; Doerpmond, Malte; Schulze Lammers, Peter; Sun, Yurui

2016-01-20

To realize site-specific and variable-rate application of agricultural pesticides, accurately metering and controlling the chemical injection rate is necessary. This study presents a prototype of a direct nozzle injection system (DNIS) by which chemical concentration transport lag was greatly reduced. In this system, a rapid-reacting solenoid valve (RRV) was utilized for injecting chemicals, driven by a pulse-width modulation (PWM) signal at 100 Hz, so with varying pulse width the chemical injection rate could be adjusted. Meanwhile, a closed-loop control strategy, proportional-integral-derivative (PID) method, was applied for metering and stabilizing the chemical injection rate. In order to measure chemical flow rates and input them into the controller as a feedback in real-time, a thermodynamic flowmeter that was independent of chemical viscosity was used. Laboratory tests were conducted to assess the performance of DNIS and PID control strategy. Due to the nonlinear input-output characteristics of the RRV, a two-phase PID control process obtained better effects as compared with single PID control strategy. Test results also indicated that the set-point chemical flow rate could be achieved within less than 4 s, and the output stability was improved compared to the case without control strategy.

Systems Metabolic Engineering of Escherichia coli.

PubMed

Choi, Kyeong Rok; Shin, Jae Ho; Cho, Jae Sung; Yang, Dongsoo; Lee, Sang Yup

2016-05-01

Systems metabolic engineering, which recently emerged as metabolic engineering integrated with systems biology, synthetic biology, and evolutionary engineering, allows engineering of microorganisms on a systemic level for the production of valuable chemicals far beyond its native capabilities. Here, we review the strategies for systems metabolic engineering and particularly its applications in Escherichia coli. First, we cover the various tools developed for genetic manipulation in E. coli to increase the production titers of desired chemicals. Next, we detail the strategies for systems metabolic engineering in E. coli, covering the engineering of the native metabolism, the expansion of metabolism with synthetic pathways, and the process engineering aspects undertaken to achieve higher production titers of desired chemicals. Finally, we examine a couple of notable products as case studies produced in E. coli strains developed by systems metabolic engineering. The large portfolio of chemical products successfully produced by engineered E. coli listed here demonstrates the sheer capacity of what can be envisioned and achieved with respect to microbial production of chemicals. Systems metabolic engineering is no longer in its infancy; it is now widely employed and is also positioned to further embrace next-generation interdisciplinary principles and innovation for its upgrade. Systems metabolic engineering will play increasingly important roles in developing industrial strains including E. coli that are capable of efficiently producing natural and nonnatural chemicals and materials from renewable nonfood biomass.

Systems Metabolic Engineering of Escherichia coli.

PubMed

Choi, Kyeong Rok; Shin, Jae Ho; Cho, Jae Sung; Yang, Dongsoo; Lee, Sang Yup

2017-03-01

Systems metabolic engineering, which recently emerged as metabolic engineering integrated with systems biology, synthetic biology, and evolutionary engineering, allows engineering of microorganisms on a systemic level for the production of valuable chemicals far beyond its native capabilities. Here, we review the strategies for systems metabolic engineering and particularly its applications in Escherichia coli. First, we cover the various tools developed for genetic manipulation in E. coli to increase the production titers of desired chemicals. Next, we detail the strategies for systems metabolic engineering in E. coli, covering the engineering of the native metabolism, the expansion of metabolism with synthetic pathways, and the process engineering aspects undertaken to achieve higher production titers of desired chemicals. Finally, we examine a couple of notable products as case studies produced in E. coli strains developed by systems metabolic engineering. The large portfolio of chemical products successfully produced by engineered E. coli listed here demonstrates the sheer capacity of what can be envisioned and achieved with respect to microbial production of chemicals. Systems metabolic engineering is no longer in its infancy; it is now widely employed and is also positioned to further embrace next-generation interdisciplinary principles and innovation for its upgrade. Systems metabolic engineering will play increasingly important roles in developing industrial strains including E. coli that are capable of efficiently producing natural and nonnatural chemicals and materials from renewable nonfood biomass.

Non-equilibrium synergistic effects in atmospheric pressure plasmas.

PubMed

Guo, Heng; Zhang, Xiao-Ning; Chen, Jian; Li, He-Ping; Ostrikov, Kostya Ken

2018-03-19

Non-equilibrium is one of the important features of an atmospheric gas discharge plasma. It involves complicated physical-chemical processes and plays a key role in various actual plasma processing. In this report, a novel complete non-equilibrium model is developed to reveal the non-equilibrium synergistic effects for the atmospheric-pressure low-temperature plasmas (AP-LTPs). It combines a thermal-chemical non-equilibrium fluid model for the quasi-neutral plasma region and a simplified sheath model for the electrode sheath region. The free-burning argon arc is selected as a model system because both the electrical-thermal-chemical equilibrium and non-equilibrium regions are involved simultaneously in this arc plasma system. The modeling results indicate for the first time that it is the strong and synergistic interactions among the mass, momentum and energy transfer processes that determine the self-consistent non-equilibrium characteristics of the AP-LTPs. An energy transfer process related to the non-uniform spatial distributions of the electron-to-heavy-particle temperature ratio has also been discovered for the first time. It has a significant influence for self-consistently predicting the transition region between the "hot" and "cold" equilibrium regions of an AP-LTP system. The modeling results would provide an instructive guidance for predicting and possibly controlling the non-equilibrium particle-energy transportation process in various AP-LTPs in future.

Immediate and long-term consequences of vascular toxicity during zebrafish development

EPA Science Inventory

Proper formation of the vascular system is necessary for embryogenesis, and chemical disruption of vascular development may be a key event driving developmental toxicity. In order to test the effect of environmental chemicals on this critical process, we developed a quantitative ...

Evaluation of the scientific underpinnings for identifying estrogenic chemicals in non-mammalian taxa using mammalian test systems

EPA Science Inventory

A major challenge in chemical risk assessment is extrapolation of toxicity data from tested to untested species. Successful cross-species extrapolation involves understanding similarities and differences in toxicokinetic and toxicodynamic processes among species. Herein we consi...

SONOCHEMICAL DECHLORINATION OF HAZARDOUS WASTES IN AQUEOUS SYSTEMS. (R825513C004)

EPA Science Inventory

Physical processes resulting from ultrasonication of aqueous solutions and suspensions produce extreme conditions that can affect the chemistry of dissolved and suspended chemicals. The purpose of this work was to explore the use of sonochemistry in treating chlorinated chemic...

ScreenCube: A 3D Printed System for Rapid and Cost-Effective Chemical Screening in Adult Zebrafish.

PubMed

Monstad-Rios, Adrian T; Watson, Claire J; Kwon, Ronald Y

2018-02-01

Phenotype-based small molecule screens in zebrafish embryos and larvae have been successful in accelerating pathway and therapeutic discovery for diverse biological processes. Yet, the application of chemical screens to adult physiologies has been relatively limited due to additional demands on cost, space, and labor associated with screens in adult animals. In this study, we present a 3D printed system and methods for intermittent drug dosing that enable rapid and cost-effective chemical administration in adult zebrafish. Using prefilled screening plates, the system enables dosing of 96 fish in ∼3 min, with a 10-fold reduction in drug quantity compared to that used in previous chemical screens in adult zebrafish. We characterize water quality kinetics during immersion in the system and use these kinetics to rationally design intermittent dosing regimens that result in 100% fish survival. As a demonstration of system fidelity, we show the potential to identify two known chemical inhibitors of adult tail fin regeneration, cyclopamine and dorsomorphin. By developing methods for rapid and cost-effective chemical administration in adult zebrafish, this study expands the potential for small molecule discovery in postembryonic models of development, disease, and regeneration.

The role of chemistry in the energy challenge.

PubMed

Schlögl, Robert

2010-02-22

Chemistry with its key targets of providing materials and processes for conversion of matter is at the center stage of the energy challenge. Most energy conversion systems work on (bio)chemical energy carriers and require for their use suitable process and material solutions. The enormous scale of their application demands optimization beyond the incremental improvement of empirical discoveries. Knowledge-based systematic approaches are mandatory to arrive at scalable and sustainable solutions. Chemistry for energy, "ENERCHEM" contributes in many ways already today to the use of fossil energy carriers. Optimization of these processes exemplified by catalysis for fuels and chemicals production or by solid-state lightning can contribute in the near future substantially to the dual challenge of energy use and climate protection being in fact two sides of the same challenge. The paper focuses on the even greater role that ENERCHEM will have to play in the era of renewable energy systems where the storage of solar energy in chemical carries and batteries is a key requirement. A multidisciplinary and diversified approach is suggested to arrive at a stable and sustainable system of energy conversion processes. The timescales for transformation of the present energy scenario will be decades and the resources will be of global economic dimensions. ENERCHEM will have to provide the reliable basis for such technologies based on deep functional understanding.

Energy conversion in isothermal nonlinear irreversible processes - struggling for higher efficiency

NASA Astrophysics Data System (ADS)

Ebeling, W.; Feistel, R.

2017-06-01

First we discuss some early work of Ulrike Feudel on structure formation in nonlinear reactions including ions and the efficiency of the conversion of chemical into electrical energy. Then we give some survey about isothermal energy conversion from chemical to higher forms of energy like mechanical, electrical and ecological energy. Isothermal means here that there are no temperature gradients within the model systems. We consider examples of energy conversion in several natural processes and in some devices like fuel cells. Further, as an example, we study analytically the dynamics and efficiency of a simple "active circuit" converting chemical into electrical energy and driving currents which is roughly modeling fuel cells. Finally we investigate an analogous ecological system of Lotka-Volterra type consisting of an "active species" consuming some passive "chemical food". We show analytically for both these models that the efficiency increases with the load, reaches values higher then 50 percent in a narrow regime of optimal load and goes beyond some maximal load abruptly to zero.

Modulation of magmatic processes by CO2 flushing

NASA Astrophysics Data System (ADS)

Caricchi, Luca; Sheldrake, Tom E.; Blundy, Jon

2018-06-01

Magmatic systems are the engines driving volcanic eruptions and the source of fluids responsible for the formation of porphyry-type ore deposits. Sudden variations of pressure, temperature and volume in magmatic systems can produce unrest, which may culminate in a volcanic eruption and/or the abrupt release of ore-forming fluids. Such variations of the conditions within magmatic systems are commonly ascribed to the injection of new magma from depth. However, as magmas fractionating at depth or rising to the upper crust release CO2-rich fluids, the interaction between carbonic fluids and H2O-rich magmas stored in the upper crust (CO2 flushing), must also be a common process affecting the evolution of subvolcanic magma reservoirs. Here, we investigate the effect of gas injection on the stability and chemical evolution of magmatic systems. We calculate the chemical and physical evolution of magmas subjected to CO2-flushing using rhyolite-MELTS. We compare the calculations with a set of melt inclusion data for Mt. St. Helens, Merapi, Etna, and Stromboli volcanoes. We provide an approach that can be used to distinguish between melt inclusions trapped during CO2 flushing, magma ascent and decompression, or those affected by post-entrapment H2O-loss. Our results show that CO2 flushing is a widespread process in both felsic and mafic magmatic systems. Depending upon initial magma crystallinity and duration of CO2 input, flushing can either lead to volcanic eruption or fluid release. We suggest that CO2 flushing is a fundamental process modulating the behaviour and chemical evolution of crustal magmatic systems.

Porous TiO₂-Based Gas Sensors for Cyber Chemical Systems to Provide Security and Medical Diagnosis.

PubMed

Galstyan, Vardan

2017-12-19

Gas sensors play an important role in our life, providing control and security of technical processes, environment, transportation and healthcare. Consequently, the development of high performance gas sensor devices is the subject of intense research. TiO₂, with its excellent physical and chemical properties, is a very attractive material for the fabrication of chemical sensors. Meanwhile, the emerging technologies are focused on the fabrication of more flexible and smart systems for precise monitoring and diagnosis in real-time. The proposed cyber chemical systems in this paper are based on the integration of cyber elements with the chemical sensor devices. These systems may have a crucial effect on the environmental and industrial safety, control of carriage of dangerous goods and medicine. This review highlights the recent developments on fabrication of porous TiO₂-based chemical gas sensors for their application in cyber chemical system showing the convenience and feasibility of such a model to provide the security and to perform the diagnostics. The most of reports have demonstrated that the fabrication of doped, mixed and composite structures based on porous TiO₂ may drastically improve its sensing performance. In addition, each component has its unique effect on the sensing properties of material.

Porous TiO2-Based Gas Sensors for Cyber Chemical Systems to Provide Security and Medical Diagnosis

PubMed Central

2017-01-01

Gas sensors play an important role in our life, providing control and security of technical processes, environment, transportation and healthcare. Consequently, the development of high performance gas sensor devices is the subject of intense research. TiO2, with its excellent physical and chemical properties, is a very attractive material for the fabrication of chemical sensors. Meanwhile, the emerging technologies are focused on the fabrication of more flexible and smart systems for precise monitoring and diagnosis in real-time. The proposed cyber chemical systems in this paper are based on the integration of cyber elements with the chemical sensor devices. These systems may have a crucial effect on the environmental and industrial safety, control of carriage of dangerous goods and medicine. This review highlights the recent developments on fabrication of porous TiO2-based chemical gas sensors for their application in cyber chemical system showing the convenience and feasibility of such a model to provide the security and to perform the diagnostics. The most of reports have demonstrated that the fabrication of doped, mixed and composite structures based on porous TiO2 may drastically improve its sensing performance. In addition, each component has its unique effect on the sensing properties of material. PMID:29257076

A Chemical Engineer's Perspective on Health and Disease

PubMed Central

Androulakis, Ioannis P.

2014-01-01

Chemical process systems engineering considers complex supply chains which are coupled networks of dynamically interacting systems. The quest to optimize the supply chain while meeting robustness and flexibility constraints in the face of ever changing environments necessitated the development of theoretical and computational tools for the analysis, synthesis and design of such complex engineered architectures. However, it was realized early on that optimality is a complex characteristic required to achieve proper balance between multiple, often competing, objectives. As we begin to unravel life's intricate complexities, we realize that that living systems share similar structural and dynamic characteristics; hence much can be learned about biological complexity from engineered systems. In this article, we draw analogies between concepts in process systems engineering and conceptual models of health and disease; establish connections between these concepts and physiologic modeling; and describe how these mirror onto the physiological counterparts of engineered systems. PMID:25506103

Bioenergetics

PubMed Central

2008-01-01

Natural life is chemical. Chemistry, not abstract logic, determines and constrains its potentialities. One of the potentialities is cognition. Humans have two equivalent cognitive systems: the immune and the nervous ones. The principle of functioning is the same for both: rooted in the previously acquired and embodied knowledge, the system is intrinsically generating many new chemical states and the environment selects and stabilizes appropriate of them. From the fundamental level of complicated brain chemistry (“biochemese”) higher levels emerge: the physiological (“physiologese”) and the mental (“mentalese”). Processes are causal at the basic chemical level; they are mere isomorphic, tautological translations at the other levels. The thermodynamic necessity to maintain correlations in the complicated chemical system and to generate variants makes the nervous system energetically expensive: it runs continuously at full speed and external inputs only trigger and modulate the ongoing dynamics. Models of the brain as a universal computer are utterly inadequate. PMID:19513208

Determining the Partial Pressure of Volatile Components via Substrate-Integrated Hollow Waveguide Infrared Spectroscopy with Integrated Microfluidics.

PubMed

Kokoric, Vjekoslav; Theisen, Johannes; Wilk, Andreas; Penisson, Christophe; Bernard, Gabriel; Mizaikoff, Boris; Gabriel, Jean-Christophe P

2018-04-03

A microfluidic system combined with substrate-integrated hollow waveguide (iHWG) vapor phase infrared spectroscopy has been developed for evaluating the chemical activity of volatile compounds dissolved in complex fluids. Chemical activity is an important yet rarely exploited parameter in process analysis and control. Access to chemical activity parameters enables systematic studies on phase diagrams of complex fluids, the detection of aggregation processes, etc. The instrumental approach developed herein uniquely enables controlled evaporation/permeation from a sample solution into a hollow waveguide structure and the analysis of the partial pressures of volatile constituents. For the example of a binary system, it was shown that the chemical activity may be deduced from partial pressure measurements at thermodynamic equilibrium conditions. The combined microfluidic-iHWG midinfrared sensor system (μFLUID-IR) allows the realization of such studies in the absence of any perturbations provoked by sampling operations, which is unavoidable using state-of-the-art analytical techniques such as headspace gas chromatography. For demonstration purposes, a water/ethanol mixture was investigated, and the derived data was cross-validated with established literature values at different mixture ratios. Next to perturbation-free measurements, a response time of the sensor <150 s ( t 90 ) at a recovery time <300 s ( t recovery ) has been achieved, which substantiates the utility of μFLUID-IR for future process analysis-and-control applications.

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.

Impact of solar system exploration on theories of chemical evolution and the origin of life

NASA Technical Reports Server (NTRS)

Devincenzi, D. L.

1983-01-01

The impact of solar system exploration on theories regarding chemical evolution and the origin of life is examined in detail. Major findings from missions to Mercury, Venus, the moon, Mars, Jupiter, Saturn, and Titan are reviewed and implications for prebiotic chemistry are discussed. Among the major conclusions are: prebiotic chemistry is widespread throughout the solar system and universe; chemical evolution and the origin of life are intimately associated with the origin and evolution of the solar system; the rate, direction, and extent of prebiotic chemistry is highly dependent upon planetary characteristics; and continued exploration will increase understanding of how life originated on earth and allow better estimates of the likelihood of similar processes occurring elsewhere.

A photocatalyst-enzyme coupled artificial photosynthesis system for solar energy in production of formic acid from CO2.

PubMed

Yadav, Rajesh K; Baeg, Jin-Ook; Oh, Gyu Hwan; Park, No-Joong; Kong, Ki-jeong; Kim, Jinheung; Hwang, Dong Won; Biswas, Soumya K

2012-07-18

The photocatalyst-enzyme coupled system for artificial photosynthesis process is one of the most promising methods of solar energy conversion for the synthesis of organic chemicals or fuel. Here we report the synthesis of a novel graphene-based visible light active photocatalyst which covalently bonded the chromophore, such as multianthraquinone substituted porphyrin with the chemically converted graphene as a photocatalyst of the artificial photosynthesis system for an efficient photosynthetic production of formic acid from CO(2). The results not only show a benchmark example of the graphene-based material used as a photocatalyst in general artificial photosynthesis but also the benchmark example of the selective production system of solar chemicals/solar fuel directly from CO(2).

Photo-Controlled Waves and Active Locomotion.

PubMed

Epstein, Irving R; Gao, Qingyu

2017-08-22

Waves of chemical concentration, created by the interaction between reaction and diffusion, occur in a number of chemical systems far from equilibrium. In appropriately chosen polymer gels, these waves generate mechanical forces, which can result in locomotion. When a component of the system is photosensitive, light can be used to modulate and control these waves. In this Concept article, we examine various forms of photo-control of such systems, focusing particularly on the Belousov-Zhabotinsky oscillating chemical reaction. The phenomena we consider include image storage and image processing, feedback-control and feedback-induced clustering of waves, and phototropic and photophobic locomotion. Several of these phenomena have analogues in or potential applications to biological systems. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Basic Research Needs for Geosciences: Facilitating 21st Century Energy Systems

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

DePaolo, D. J.; Orr, F. M.; Benson, S. M.

2007-06-01

To identify research areas in geosciences, such as behavior of multiphase fluid-solid systems on a variety of scales, chemical migration processes in geologic media, characterization of geologic systems, and modeling and simulation of geologic systems, needed for improved energy systems.

Optical methods for creating delivery systems of chemical compounds to plant roots

NASA Astrophysics Data System (ADS)

Kuznetsov, Pavel E.; Rogacheva, Svetlana M.; Arefeva, Oksana A.; Minin, Dmitryi V.; Tolmachev, Sergey A.; Kupadze, Machammad S.

2004-08-01

Spectrophotometric and fluorescence methods have been used for creation and investigation of various systems of target delivery of chemical compounds to roots of plants. The possibility of using liposomes, incrusted by polysaccharides of the external surface of nitrogen-fixing rizospheric bacteria Azospirillum brasilense SP 245, and nanoparticles incrusted by polysaccharides of wheat roots, as the named systems has been shown. The important role of polysaccharide-polysaccharide interaction in the adsorption processes of bacteria on wheat roots has been demonstrated.

Decontamination of metals using chemical etching

DOEpatents

Lerch, Ronald E.; Partridge, Jerry A.

1980-01-01

The invention relates to chemical etching process for reclaiming contaminated equipment wherein a reduction-oxidation system is included in a solution of nitric acid to contact the metal to be decontaminated and effect reduction of the reduction-oxidation system, and includes disposing a pair of electrodes in the reduced solution to permit passage of an electrical current between said electrodes and effect oxidation of the reduction-oxidation system to thereby regenerate the solution and provide decontaminated equipment that is essentially radioactive contamination-free.

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

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.

INL’s TAP Systems

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

None

2017-06-22

The starting point for many consumer products is the industrial manufacture of platform chemicals. The recent boom in domestic shale gas production makes it possible to envision a new resource for chemical manufacturing. Catalysts are the accelerants behind most industrial chemical reactions. A sophisticated research technique using a Temporal Analysis of Products (or TAP) reactor can now help. By shedding light on a catalyst’s fundamental step-by-step process, a TAP reactor can help chemists and chemical engineers understand why a new catalyst works better in the lab than in the chemical plant.

Indoor Chemistry: Materials, Ventilation Systems, and Occupant Activities

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

Morrison, G.C.; Corsi, R.L.; Destaillats, H.

2006-05-01

Chemical processes taking place in indoor environments can significantly alter the nature and concentrations of pollutants. Exposure to secondary contaminants generated in these reactions needs to be evaluated in association with many aspects of buildings to minimize their impact on occupant health and well-being. Focusing on indoor ozone chemistry, we describe alternatives for improving indoor air quality by controlling chemical changes related to building materials, ventilation systems, and occupant activities.

[Legal aspects of the REACH regulation. The control system of the REACH regulation--new approaches in the EU chemical legislation].

PubMed

Pache, Eckhard

2008-12-01

The REACH regulation from 2006 shall overcome the deficiencies of the previously existing inconsistent legal system of chemicals and build an efficient and innovative regulation for industrial chemicals in the EU. For this purpose, the REACH regulation is not inventing a completely new legislation for chemical substances, but refers to the existing rules, regulates and structures them in a new manner and complements them. With REACH a consistent control system for chemicals in Europe has been created, which basically is managed and coordinated by the newly established European Chemicals Agency (ECHA). In the first phases of the REACH system, information about chemicals is generated and afterwards evaluated. Then this information is used in a process of authorization and restriction, to ensure adequate proliferation and safe exposure to chemical substances. Numerous duties to furnish information complement the readjustment's procedural steps, particularly with regard to the supply chain and down to the consumer. It is mainly affected by the abrogation of the determination between new and existing substances, the principle of substitution and is based on the idea that industry itself is best suited to ensure that the substances it manufactures and places on the market in the EU do not adversely affect human health or the environment.

Quantum tunneling observed without its characteristic large kinetic isotope effects.

PubMed

Hama, Tetsuya; Ueta, Hirokazu; Kouchi, Akira; Watanabe, Naoki

2015-06-16

Classical transition-state theory is fundamental to describing chemical kinetics; however, quantum tunneling is also important in explaining the unexpectedly large reaction efficiencies observed in many chemical systems. Tunneling is often indicated by anomalously large kinetic isotope effects (KIEs), because a particle's ability to tunnel decreases significantly with its increasing mass. Here we experimentally demonstrate that cold hydrogen (H) and deuterium (D) atoms can add to solid benzene by tunneling; however, the observed H/D KIE was very small (1-1.5) despite the large intrinsic H/D KIE of tunneling (≳ 100). This strong reduction is due to the chemical kinetics being controlled not by tunneling but by the surface diffusion of the H/D atoms, a process not greatly affected by the isotope type. Because tunneling need not be accompanied by a large KIE in surface and interfacial chemical systems, it might be overlooked in other systems such as aerosols or enzymes. Our results suggest that surface tunneling reactions on interstellar dust may contribute to the deuteration of interstellar aromatic and aliphatic hydrocarbons, which could represent a major source of the deuterium enrichment observed in carbonaceous meteorites and interplanetary dust particles. These findings could improve our understanding of interstellar physicochemical processes, including those during the formation of the solar system.

Quantum tunneling observed without its characteristic large kinetic isotope effects

PubMed Central

Hama, Tetsuya; Ueta, Hirokazu; Kouchi, Akira; Watanabe, Naoki

2015-01-01

Classical transition-state theory is fundamental to describing chemical kinetics; however, quantum tunneling is also important in explaining the unexpectedly large reaction efficiencies observed in many chemical systems. Tunneling is often indicated by anomalously large kinetic isotope effects (KIEs), because a particle’s ability to tunnel decreases significantly with its increasing mass. Here we experimentally demonstrate that cold hydrogen (H) and deuterium (D) atoms can add to solid benzene by tunneling; however, the observed H/D KIE was very small (1–1.5) despite the large intrinsic H/D KIE of tunneling (≳100). This strong reduction is due to the chemical kinetics being controlled not by tunneling but by the surface diffusion of the H/D atoms, a process not greatly affected by the isotope type. Because tunneling need not be accompanied by a large KIE in surface and interfacial chemical systems, it might be overlooked in other systems such as aerosols or enzymes. Our results suggest that surface tunneling reactions on interstellar dust may contribute to the deuteration of interstellar aromatic and aliphatic hydrocarbons, which could represent a major source of the deuterium enrichment observed in carbonaceous meteorites and interplanetary dust particles. These findings could improve our understanding of interstellar physicochemical processes, including those during the formation of the solar system. PMID:26034285

Physical and mathematical modeling of antimicrobial photodynamic therapy

NASA Astrophysics Data System (ADS)

Bürgermeister, Lisa; López, Fernando Romero; Schulz, Wolfgang

2014-07-01

Antimicrobial photodynamic therapy (aPDT) is a promising method to treat local bacterial infections. The therapy is painless and does not cause bacterial resistances. However, there are gaps in understanding the dynamics of the processes, especially in periodontal treatment. This work describes the advances in fundamental physical and mathematical modeling of aPDT used for interpretation of experimental evidence. The result is a two-dimensional model of aPDT in a dental pocket phantom model. In this model, the propagation of laser light and the kinetics of the chemical reactions are described as coupled processes. The laser light induces the chemical processes depending on its intensity. As a consequence of the chemical processes, the local optical properties and distribution of laser light change as well as the reaction rates. The mathematical description of these coupled processes will help to develop treatment protocols and is the first step toward an inline feedback system for aPDT users.

Second Aerospace Environmental Technology Conference

NASA Technical Reports Server (NTRS)

Whitaker, A. F. (Editor); Clark-Ingram, M. (Editor)

1997-01-01

The mandated elimination of CFC'S, Halons, TCA, and other ozone depleting chemicals and specific hazardous materials has required changes and new developments in aerospace materials and processes. The aerospace industry has been involved for several years in providing product substitutions, redesigning entire production processes, and developing new materials that minimize or eliminate damage to the environment. These activities emphasize replacement cleaning solvents and their application, verification, compliant coatings including corrosion protection system and removal techniques, chemical propulsion effects on the environment, and the initiation of modifications to relevant processing and manufacturing specifications and standards.

Second Aerospace Environmental Technology Conference

NASA Technical Reports Server (NTRS)

Whitaker, A. F.; Clark-Ingram, M.; Hessler, S. L.

1997-01-01

The mandated elimination of CFC's, Halons, TCA, and other ozone depleting chemicals and specific hazardous materials has required changes and new developments in aerospace materials and processes. The aerospace industry has been involved for several years in providing product substitutions, redesigning entire production processes, and developing new materials that minimize or eliminate damage to the environment. These activities emphasize replacement cleaning solvents and their application verifications, compliant coatings including corrosion protection systems, and removal techniques, chemical propulsion effects on the environment, and the initiation of modifications to relevant processing and manufacturing specifications and standards.

Biomedically relevant chemical and physical properties of coal combustion products.

PubMed Central

Fisher, G L

1983-01-01

The evaluation of the potential public and occupational health hazards of developing and existing combustion processes requires a detailed understanding of the physical and chemical properties of effluents available for human and environmental exposures. These processes produce complex mixtures of gases and aerosols which may interact synergistically or antagonistically with biological systems. Because of the physicochemical complexity of the effluents, the biomedically relevant properties of these materials must be carefully assessed. Subsequent to release from combustion sources, environmental interactions further complicate assessment of the toxicity of combustion products. This report provides an overview of the biomedically relevant physical and chemical properties of coal fly ash. Coal fly ash is presented as a model complex mixture for health and safety evaluation of combustion processes. PMID:6337824

Evaluation of mercury in the liquid waste processing facilities

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

Jain, Vijay; Shah, Hasmukh; Occhipinti, John E.

2015-08-13

This report provides a summary of Phase I activities conducted to support an Integrated Evaluation of Mercury in Liquid Waste System (LWS) Processing Facilities. Phase I activities included a review and assessment of the liquid waste inventory and chemical processing behavior of mercury using a system by system review methodology approach. Gaps in understanding mercury behavior as well as action items from the structured reviews are being tracked. 64% of the gaps and actions have been resolved.

EVALUATING THE ABILITY OF IN VITRO ASSAYS BASED ON KEY EVENTS IN NEURODEVELOPMENT TO PREDICT DEVELOPMENTAL NEUROTOXICITY (DNT)

EPA Science Inventory

USABecause of the multitude of potential molecular targets for chemical disruption in the developing nervous system, our laboratory has developed in vitro assays that measure chemical disruption of key neurodevelopmental processes. These include proliferation, differentiation, ap...

Use of High-Throughput Testing and Approaches for Evaluating Chemical Risk-Relevance to Humans

EPA Science Inventory

ToxCast is profiling the bioactivity of thousands of chemicals based on high-throughput screening (HTS) and computational models that integrate knowledge of biological systems and in vivo toxicities. Many of these assays probe signaling pathways and cellular processes critical to...

APPLICATION OF A NEW LAND-SURFACE, DRY DEPOSITION, AND PBL MODEL IN THE MODELS-3 COMMUNITY MULTI-SCALE AIR QUALITY (CMAQ) MODEL SYSTEM

EPA Science Inventory

Like most air quality modeling systems, CMAQ divides the treatment of meteorological and chemical/transport processes into separate models run sequentially. A potential drawback to this approach is that it creates the illusion that these processes are minimally interdependent an...

Experimental Air Pressure Tank Systems for Process Control Education

ERIC Educational Resources Information Center

Long, Christopher E.; Holland, Charles E.; Gatzke, Edward P.

2006-01-01

In process control education, particularly in the field of chemical engineering, there is an inherent need for industrially relevant hands-on apparatuses that enable one to bridge the gap between the theoretical content of coursework and real-world applications. At the University of South Carolina, two experimental air-pressure tank systems have…

Semipermeability Evolution of Wakkanai Mudstones During Isotropic Compression

NASA Astrophysics Data System (ADS)

Takeda, M.; Manaka, M.

2015-12-01

Precise identification of major processes that influence groundwater flow system is of fundamental importance for the performance assessment of waste disposal in subsurface. In the characterization of groundwater flow system, gravity- and pressure-driven flows have been conventionally assumed as dominant processes. However, recent studies have suggested that argillites can act as semipermeable membranes and they can cause chemically driven flow, i.e., chemical osmosis, under salinity gradients, which may generate erratic pore pressures in argillaceous formations. In order to identify the possibility that chemical osmosis is involved in erratic pore pressure generations in argillaceous formations, it is essential to measure the semipermeability of formation media; however, in the measurements of semipermeability, little consideration has been given to the stresses that the formation media would have experienced in past geologic processes. This study investigates the influence of stress history on the semipermeability of an argillite by an experimental approach. A series of chemical osmosis experiments were performed on Wakkanai mudstones to measure the evolution of semipermeability during loading and unloading confining pressure cycles. The osmotic efficiency, which represents the semipermeability, was estimated at each confining pressure. The results show that the osmotic efficiency increases almost linearly with increasing confining pressure; however, the increased osmotic efficiency does not recover during unloading unless the confining pressure is almost relieved. The observed unrecoverable change in osmotic efficiency may have an important implication on the evaluation of chemical osmosis in argillaceous formations that have been exposed to large stresses in past geologic processes. If the osmotic efficiency increased by the past stress can remain unchanged to date, the osmotic efficiency should be measured at the past highest stress rather than the current in-situ stress. Otherwise, the effect of chemical osmosis on the pore pressure generation would be underestimated.

Technology resource document for the assembled chemical weapons assessment environmental impact statement. Vol. 2 : assembled systems for weapons destruction at Anniston Army Depot.

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

Kimmell, T.; Folga, S., Frey, G.; Molberg, J.

2001-05-04

This volume of the Technical Resource Document (TRD) for the ''Environmental Impact Statement (EIS) for the Design, Construction and Operation of One or More Pilot Test Facilities for Assembled Chemical Weapons Destruction Technologies at One or More Sites'' (PMACWA 2001g) pertains to the destruction of assembled chemical weapons (ACW) stored at Anniston Army Depot (ANAD), located outside Anniston, Alabama. This volume presents technical and process information on each of the destruction technologies applicable to treatment of the specific ACW stored at ANAD. The destruction technologies described are those that have been demonstrated as part of the Assembled Chemical Weapons Assessmentmore » (ACWA) selection process (see Volume 1).« less

Active control of nanolitre droplet contents with convective concentration gradients across permeable walls.

PubMed

Zeitoun, Ramsey I; Goudie, Marcus J; Zwier, Jacob; Mahawilli, David; Burns, Mark A

2011-12-07

Nanolitre droplets in microfluidic devices can be used to perform thousands of independent chemical and biological experiments while minimizing reagents, cost and time. However, the absence of simple and versatile methods capable of controlling the contents of these nanolitre chemical systems limits their scientific potential. To address this, we have developed a method that is simple to fabricate and can continuously control nanolitre chemical systems by integrating a time-resolved convective flow signal across a permeable membrane wall. With this method, we can independently control the volume and concentration of nanolitre-sized drops without ever directly contacting the fluid. Transport occurring in these systems was also analyzed and thoroughly characterized. We achieved volumetric fluid introduction and removal rates ranging from 0.23 to 4.0 pL s(-1). Furthermore, we expanded this method to perform chemical processes. We precipitated silver chloride using a flow signal of sodium chloride and silver nitrate droplets. From there, we were able to separate sodium chloride reactants with a water flow signal, and dissolve silver chloride solids with an ammonia hydroxide flow signal. Finally, we demonstrate the potential to deliver large molecules and perform physical processes like crystallization and particle packing.

Linking performance benchmarking of refinery process chemicals to refinery key performance indicators

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

Cook, J.M.; Nieman, L.D.

In 1977 Solomon Associates, Inc. issued its first study of refining in the US entitled, Comparative Performance Analysis for Fuel Product Refineries, most commonly referred to as the Solomon Study, or the Fuels Study. In late 1993, both the Water and Waste Water Management, and Petroleum Divisions of Nalco Chemical Company came to the same conclusion; that they must have a better understanding of the Solomon Study process, and have some input to this system of measurement. The authors first approached Solomon Associates with the idea that a specific study should be done of specialty chemicals used in the refinery.more » They felt that this would result in two studies, one for water treatment applications, and one for process. The water treatment study came first, and was completed in 1993 with the United States Petroleum Refineries Water Treatment Performance Analysis for Operating Year 1993. The process study, entitled United States Petroleum Refinery Process Treatment Performance Analysis for Operating Years 1994--95 will be issued in the 2nd quarter of this year by Nalco/Exxon Energy Chemicals, L.P, which includes the combined resources of the former Petroleum Division of Nalco Chemical Company (including the petroleum related portions of most of its overseas companies), and the petroleum related specialty chemical operations of Exxon Chemical on a global basis. What follows is a recap of the process study focus, some examples of output, and comment on both the linkage to key refinery operating indicators, as well as the perception of the effect of such measurement on the supplier relationship of the future.« less

Technology resource document for the assembled chemical weapons assessment environmental impact statement. Vol. 5 : assembled systems for weapons destruction at Blue Grass Army Depot.

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

Kimmell, T.; Folga, S., Frey, G.; Molberg, J.

2001-05-02

This volume of the Technical Resource Document (TRD) for the ''Environmental Impact Statement (EIS) for the Design, Construction and Operation of One or More Pilot Test Facilities for Assembled Chemical Weapons Destruction Technologies at One or More Sites'' (PMACWA 2001g) pertains to the destruction of assembled chemical weapons (ACW) stored in the U.S. Army's unitary chemical stockpile at Blue Grass Army Depot (BGAD), located outside Richmond, Kentucky. This volume presents technical and process information on each of the destruction technologies applicable to treatment of the specific ACW stored at BGAD. The destruction technologies described are those that have been demonstratedmore » as part of the Assembled Chemical Weapons Assessment (ACWA) selection process (see Volume 1).« less

Postexposure bake characteristics of a chemically amplified deep-ultraviolet resist

NASA Astrophysics Data System (ADS)

Sturtevant, John L.; Holmes, Steven J.; Rabidoux, Paul A.

1992-06-01

In the processing of chemically amplified resist systems, two `dose' parameters must be considered. The exposure dose dictates the amount of photoacid generated, and the thermal dose that is administered during the post-exposure bake (PEB) governs the extent to which the resin is chemically transformed by the acid. An Arrhenius relationship exists between these two dose variables, and the magnitude of the effective activation energy determines the degree of PEB temperature control required for a particular linewidth budget. PEB characteristics are presented for a chemically amplified positive-tone DUV resist used by IBM in the manufacture of 0.5 micrometers 16 Mb DRAMs. The effect of PEB temperature and time on resist sensitivity, contrast, resolution, and process latitude is presented. The influence of exposure and thermal dose on the chemical contamination effect is also discussed.

Control of chemical dynamics by lasers: theoretical considerations.

PubMed

Kondorskiy, Alexey; Nanbu, Shinkoh; Teranishi, Yoshiaki; Nakamura, Hiroki

2010-06-03

Theoretical ideas are proposed for laser control of chemical dynamics. There are the following three elementary processes in chemical dynamics: (i) motion of the wave packet on a single adiabatic potential energy surface, (ii) excitation/de-excitation or pump/dump of wave packet, and (iii) nonadiabatic transitions at conical intersections of potential energy surfaces. A variety of chemical dynamics can be controlled, if we can control these three elementary processes as we desire. For (i) we have formulated the semiclassical guided optimal control theory, which can be applied to multidimensional real systems. The quadratic or periodic frequency chirping method can achieve process (ii) with high efficiency close to 100%. Concerning process (iii) mentioned above, the directed momentum method, in which a predetermined momentum vector is given to the initial wave packet, makes it possible to enhance the desired transitions at conical intersections. In addition to these three processes, the intriguing phenomenon of complete reflection in the nonadiabatic-tunneling-type of potential curve crossing can also be used to control a certain class of chemical dynamics. The basic ideas and theoretical formulations are provided for the above-mentioned processes. To demonstrate the effectiveness of these controlling methods, numerical examples are shown by taking the following processes: (a) vibrational photoisomerization of HCN, (b) selective and complete excitation of the fine structure levels of K and Cs atoms, (c) photoconversion of cyclohexadiene to hexatriene, and (d) photodissociation of OHCl to O + HCl.

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

Tsigabu Gebrehiwet; James R. Henriksen; Luanjing Guo

Multi-component mineral precipitation in porous, subsurface environments is challenging to simulate or engineer when in situ reactant mixing is controlled by diffusion. In contrast to well-mixed systems, the conditions that favor mineral precipitation in porous media are distributed along chemical gradients, which evolve spatially due to concurrent mineral precipitation and modification of solute transport in the media. The resulting physical and chemical characteristics of a mixing/precipitation zone are a consequence of coupling between transport and chemical processes, and the distinctive properties of individual chemical systems. We examined the spatial distribution of precipitates formed in “double diffusion” columns for two chemicalmore » systems, calcium carbonate and calcium phosphate. Polyacrylamide hydrogel was used as a low permeability, high porosity medium to maximize diffusive mixing and minimize pressure- and density-driven flow between reactant solutions. In the calcium phosphate system, multiple, visually dense and narrow bands of precipitates were observed that were reminiscent of previously reported Liesegang patterns. In the calcium carbonate system, wider precipitation zones characterized by more sparse distributions of precipitates and a more open channel structure were observed. In both cases, formation of precipitates inhibited, but did not necessarily eliminate, continued transport and mixing of the reactants. A reactive transport model with fully implicit coupling between diffusion, chemical speciation and precipitation kinetics, but where explicit details of nucleation processes were neglected, was able to qualitatively simulate properties of the precipitation zones. The results help to illustrate how changes in the physical properties of a precipitation zone depend on coupling between diffusion-controlled reactant mixing and chemistry-specific details of precipitation kinetics.« less

Application of Electro Chemical Machining for materials used in extreme conditions

NASA Astrophysics Data System (ADS)

Pandilov, Z.

2018-03-01

Electro-Chemical Machining (ECM) is the generic term for a variety of electrochemical processes. ECM is used to machine work pieces from metal and metal alloys irrespective of their hardness, strength or thermal properties, through the anodic dissolution, in aerospace, automotive, construction, medical equipment, micro-systems and power supply industries. The Electro Chemical Machining is extremely suitable for machining of materials used in extreme conditions. General overview of the Electro-Chemical Machining and its application for different materials used in extreme conditions is presented.

Biophoton signal transmission and processing in the brain.

PubMed

Tang, Rendong; Dai, Jiapei

2014-10-05

The transmission and processing of neural information in the nervous system plays a key role in neural functions. It is well accepted that neural communication is mediated by bioelectricity and chemical molecules via the processes called bioelectrical and chemical transmission, respectively. Indeed, the traditional theories seem to give valuable explanations for the basic functions of the nervous system, but difficult to construct general accepted concepts or principles to provide reasonable explanations of higher brain functions and mental activities, such as perception, learning and memory, emotion and consciousness. Therefore, many unanswered questions and debates over the neural encoding and mechanisms of neuronal networks remain. Cell to cell communication by biophotons, also called ultra-weak photon emissions, has been demonstrated in several plants, bacteria and certain animal cells. Recently, both experimental evidence and theoretical speculation have suggested that biophotons may play a potential role in neural signal transmission and processing, contributing to the understanding of the high functions of nervous system. In this paper, we review the relevant experimental findings and discuss the possible underlying mechanisms of biophoton signal transmission and processing in the nervous system. Copyright © 2014 Elsevier B.V. All rights reserved.

"Chemical transformers" from nanoparticle ensembles operated with logic.

PubMed

Motornov, Mikhail; Zhou, Jian; Pita, Marcos; Gopishetty, Venkateshwarlu; Tokarev, Ihor; Katz, Evgeny; Minko, Sergiy

2008-09-01

The pH-responsive nanoparticles were coupled with information-processing enzyme-based systems to yield "smart" signal-responsive hybrid systems with built-in Boolean logic. The enzyme systems performed AND/OR logic operations, transducing biochemical input signals into reversible structural changes (signal-directed self-assembly) of the nanoparticle assemblies, thus resulting in the processing and amplification of the biochemical signals. The hybrid system mimics biological systems in effective processing of complex biochemical information, resulting in reversible changes of the self-assembled structures of the nanoparticles. The bioinspired approach to the nanostructured morphing materials could be used in future self-assembled molecular robotic systems.

Chemistry meets biology in colitis-associated carcinogenesis

PubMed Central

Mangerich, Aswin; Dedon, Peter C.; Fox, James G.; Tannenbaum, Steven R.; Wogan, Gerald N.

2015-01-01

The intestine comprises an exceptional venue for a dynamic and complex interplay of numerous chemical and biological processes. Here, multiple chemical and biological systems, including the intestinal tissue itself, its associated immune system, the gut microbiota, xenobiotics, and metabolites meet and interact to form a sophisticated and tightly regulated state of tissue homoeostasis. Disturbance of this homeostasis can cause inflammatory bowel disease (IBD) – a chronic disease of multifactorial etiology that is strongly associated with increased risk for cancer development. This review addresses recent developments in research into chemical and biological mechanisms underlying the etiology of inflammation-induced colon cancer. Beginning with a general overview of reactive chemical species generated during colonic inflammation, the mechanistic interplay between chemical and biological mediators of inflammation, the role of genetic toxicology and microbial pathogenesis in disease development are discussed. When possible, we systematically compare evidence from studies utilizing human IBD patients with experimental investigations in mice. The comparison reveals that many strong pathological and mechanistic correlates exist between mouse models of colitis-associated cancer, and the clinically relevant situation in humans. We also summarize several emerging issues in the field, such as the carcinogenic potential of novel inflammation-related DNA adducts and genotoxic microbial factors, the systemic dimension of inflammation-induced genotoxicity, and the complex role of genome maintenance mechanisms during these processes. Taken together, current evidence points to the induction of genetic and epigenetic alterations by chemical and biological inflammatory stimuli ultimately leading to cancer formation. PMID:23926919

Preliminary evaluation of waste processing in a CELSS

NASA Technical Reports Server (NTRS)

Jacquez, Ricardo B.

1990-01-01

Physical/chemical, biological, and hybrid methods can be used in a space environment for processing wastes generated by a Closed Ecological Life Support System (CELSS). Two recycling scenarios are presented. They reflect differing emphases on and responses to the waste system formation rates and their composition, as well as indicate the required products from waste treatment that are needed in a life support system.

Performance analysis of Integrated Communication and Control System networks

NASA Technical Reports Server (NTRS)

Halevi, Y.; Ray, A.

1990-01-01

This paper presents statistical analysis of delays in Integrated Communication and Control System (ICCS) networks that are based on asynchronous time-division multiplexing. The models are obtained in closed form for analyzing control systems with randomly varying delays. The results of this research are applicable to ICCS design for complex dynamical processes like advanced aircraft and spacecraft, autonomous manufacturing plants, and chemical and processing plants.

Vacuum pumps and systems: A review of current practice

NASA Technical Reports Server (NTRS)

Giles, Stuart

1986-01-01

A review of the fundamental characteristics of the many types of vacuum pumps and vacuum pumping systems is given. The optimum pumping range, relative cost, performance limitations, maintenance problems, system operating costs and similar subjects are discussed. Experiences from the thin film deposition, chemical processing, material handling, food processing and other industries, as well as space simulation are used to support conclusions and recommendations.

Accurate hybrid stochastic simulation of a system of coupled chemical or biochemical reactions.

PubMed

Salis, Howard; Kaznessis, Yiannis

2005-02-01

The dynamical solution of a well-mixed, nonlinear stochastic chemical kinetic system, described by the Master equation, may be exactly computed using the stochastic simulation algorithm. However, because the computational cost scales with the number of reaction occurrences, systems with one or more "fast" reactions become costly to simulate. This paper describes a hybrid stochastic method that partitions the system into subsets of fast and slow reactions, approximates the fast reactions as a continuous Markov process, using a chemical Langevin equation, and accurately describes the slow dynamics using the integral form of the "Next Reaction" variant of the stochastic simulation algorithm. The key innovation of this method is its mechanism of efficiently monitoring the occurrences of slow, discrete events while simultaneously simulating the dynamics of a continuous, stochastic or deterministic process. In addition, by introducing an approximation in which multiple slow reactions may occur within a time step of the numerical integration of the chemical Langevin equation, the hybrid stochastic method performs much faster with only a marginal decrease in accuracy. Multiple examples, including a biological pulse generator and a large-scale system benchmark, are simulated using the exact and proposed hybrid methods as well as, for comparison, a previous hybrid stochastic method. Probability distributions of the solutions are compared and the weak errors of the first two moments are computed. In general, these hybrid methods may be applied to the simulation of the dynamics of a system described by stochastic differential, ordinary differential, and Master equations.

The simulation method of chemical composition of vermicular graphite iron on the basis of genetic algorithm

NASA Astrophysics Data System (ADS)

Yusupov, L. R.; Klochkova, K. V.; Simonova, L. A.

2017-09-01

The paper presents a methodology of modeling the chemical composition of the composite material via genetic algorithm for optimization of the manufacturing process of products. The paper presents algorithms of methods based on intelligent system of vermicular graphite iron design

Final Report from the Department of Kinetics of Chemical and Biological Processes, Institute of Chemical Physics of Russian Academy of Sciences

DTIC Science & Technology

1994-01-01

from polymer systems. Investigation of mechanisms of high-temperature pyrolysis and combustion reactions of network polymethacrylates. Rubailo V.L...are widely spread among agricultural important crops (i.e. cereals, fruits, grapevine, potato, cotton, tomato , leguminous) and ornamental plants

USING A GEOGRAPHIC INFORMATION SYSTEM TO IDENTIFY AREAS WITH POTENTIAL FOR OFF-TARGET PESTICIDE EXPOSURE

EPA Science Inventory

In many countries, numerous tests are required as part of the risk assessment process before chemical registration to protect human health and the environment from unintended effects of chemical releases. Most of these tests are not based on ecological or environmental relevance ...

40 CFR 63.867 - Reporting requirements.

Code of Federal Regulations, 2012 CFR

2012-07-01

... Emission Standards for Hazardous Air Pollutants for Chemical Recovery Combustion Sources at Kraft, Soda...) Additional reporting requirements for HAP metals standards. (1) Any owner or operator of a group of process units in a chemical recovery system at a mill complying with the PM emissions limits in § 63.862(a)(1...

40 CFR 63.867 - Reporting requirements.

Code of Federal Regulations, 2014 CFR

2014-07-01

... Emission Standards for Hazardous Air Pollutants for Chemical Recovery Combustion Sources at Kraft, Soda...) Additional reporting requirements for HAP metals standards. (1) Any owner or operator of a group of process units in a chemical recovery system at a mill complying with the PM emissions limits in § 63.862(a)(1...

40 CFR 63.867 - Reporting requirements.

Code of Federal Regulations, 2013 CFR

2013-07-01

... Emission Standards for Hazardous Air Pollutants for Chemical Recovery Combustion Sources at Kraft, Soda...) Additional reporting requirements for HAP metals standards. (1) Any owner or operator of a group of process units in a chemical recovery system at a mill complying with the PM emissions limits in § 63.862(a)(1...

PERVAPORATION AND VAPOR PERMEATION MEMBRANE SYSTEMS FOR VOLATILE FERMENTATION PRODUCT RECOVERY AND DEHYDRATION

EPA Science Inventory

Historically, fermentation processes have been harnessed to produce commodity chemicals and fuels, such as ethanol. However, many of these chemicals are currently produced using oil as the initial feedstock due to the ready availability and low cost of oil. The future prospect of...

15 CFR 721.2 - Recordkeeping.

Code of Federal Regulations, 2012 CFR

2012-01-01

... production, processing, consumption, export or import of chemicals. Each facility subject to inspection under... recognized as complete words or numbers. (iv) The system must preserve the initial image (including both... the system. (3) Requirements applicable to a system based on digital images. For systems based on the...

15 CFR 721.2 - Recordkeeping.

Code of Federal Regulations, 2014 CFR

2014-01-01

... production, processing, consumption, export or import of chemicals. Each facility subject to inspection under... recognized as complete words or numbers. (iv) The system must preserve the initial image (including both... the system. (3) Requirements applicable to a system based on digital images. For systems based on the...

15 CFR 721.2 - Recordkeeping.

Code of Federal Regulations, 2010 CFR

2010-01-01

... production, processing, consumption, export or import of chemicals. Each facility subject to inspection under... recognized as complete words or numbers. (iv) The system must preserve the initial image (including both... the system. (3) Requirements applicable to a system based on digital images. For systems based on the...

15 CFR 721.2 - Recordkeeping.

Code of Federal Regulations, 2013 CFR

2013-01-01

... production, processing, consumption, export or import of chemicals. Each facility subject to inspection under... recognized as complete words or numbers. (iv) The system must preserve the initial image (including both... the system. (3) Requirements applicable to a system based on digital images. For systems based on the...

15 CFR 721.2 - Recordkeeping.

Code of Federal Regulations, 2011 CFR

2011-01-01

... production, processing, consumption, export or import of chemicals. Each facility subject to inspection under... recognized as complete words or numbers. (iv) The system must preserve the initial image (including both... the system. (3) Requirements applicable to a system based on digital images. For systems based on the...

Biomolecular Modeling in a Process Dynamics and Control Course

ERIC Educational Resources Information Center

Gray, Jeffrey J.

2006-01-01

I present modifications to the traditional course entitled, "Process dynamics and control," which I renamed "Modeling, dynamics, and control of chemical and biological processes." Additions include the central dogma of biology, pharmacokinetic systems, population balances, control of gene transcription, and large­-scale…

Comparison of Chemical Sensitivity of Fresh and Long-Stored Heat Resistant Neosartorya fischeri Environmental Isolates Using BIOLOG Phenotype MicroArray System

PubMed Central

Panek, Jacek; Frąc, Magdalena; Bilińska-Wielgus, Nina

2016-01-01

Spoilage of heat processed food and beverage by heat resistant fungi (HRF) is a major problem for food industry in many countries. Neosartorya fischeri is the leading source of spoilage in thermally processed products. Its resistance to heat processing and toxigenicity makes studies about Neosartorya fischeri metabolism and chemical sensitivity essential. In this study chemical sensitivity of two environmental Neosartorya fischeri isolates were compared. One was isolated from canned apples in 1923 (DSM3700), the other from thermal processed strawberry product in 2012 (KC179765), used as long-stored and fresh isolate, respectively. The study was conducted using Biolog Phenotype MicroArray platforms of chemical sensitivity panel and traditional hole-plate method. The study allowed for obtaining data about Neosartorya fischeri growth inhibitors. The fresh isolate appeared to be much more resistant to chemical agents than the long-stored isolate. Based on phenotype microarray assay nitrogen compounds, toxic cations and membrane function compounds were the most effective in growth inhibition of N. fischeri isolates. According to the study zaragozic acid A, thallium(I) acetate and sodium selenate were potent and promising N. fischeri oriented fungicides which was confirmed by both chemical sensitivity microplates panel and traditional hole-plate methods. PMID:26815302

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.

A Geochemical View on the Interplay Between Earth's Mantle and Crust

NASA Astrophysics Data System (ADS)

Chauvel, C.

2017-12-01

Over most of Earth history, oceanic and continental crust was created and destroyed. The formation of both types of crust involves the crystallization and differentiation of magmas producing by mantle melting. Their destruction proceeds by mechanical erosion and weathering above sea level, chemical alteration on the seafloor, and bulk recycling in subduction zones. All these processes enrich of some chemical element and deplete others but each process has its own effect on chemical elements. While the flux of material from mantle to crust is well understood, the return flux is much more complex. In contrast to mantle processes, erosion, weathering, chemical alteration and sedimentary processes strongly decouple elements such as the rare earths and high-field strength elements due to their different solubilities in surface fluids and mineralogical sorting during transport. Soluble elements such as strontium or uranium are quantitatively transported to the ocean by rivers and decoupled from less soluble elements. Over geological time, such decoupling significantly influences the extent to which chemical elements remain at the Earth's surface or find their way back to the mantle through subduction zones. For example, elements like Hf or Nd are retained in heavy minerals on continents whereas U and Sr are transported to the oceans and then in subduction zones to the mantle. The consequence is that different radiogenic isotopic systems give disparate age estimates for the continental crust; e.g, Hf ages could be too old. In subduction zones, chemical elements are also decoupled, due to contrasting behavior during dehydration or melting in subducting slabs. The material sent back into the mantle is generally enriched in non-soluble elements while most fluid-mobile elements return to the crust. This, in turn, affects the relationship between the Rb-Sr, Sm-Nd, Lu-Hf and U-Th-Pb isotopic systems and creates correlations unlike those based on magmatic processes. By quantifying the difference between isotopic arrays created by magmatic processes vs. surface and subduction processes, we can determine how crust recycling creates isotopic heterogeneities in the mantle.

Evolution of the Solar System

NASA Technical Reports Server (NTRS)

Alfven, H.; Arrhenius, G.

1976-01-01

The origin and evolution of the solar system are analyzed. Physical processes are first discussed, followed by experimental studies of plasma-solid reactions and chemical and mineralogical analyses of meteorites and lunar and terrestrial samples.

Quantum Entanglement and Chemical Reactivity.

PubMed

Molina-Espíritu, M; Esquivel, R O; López-Rosa, S; Dehesa, J S

2015-11-10

The water molecule and a hydrogenic abstraction reaction are used to explore in detail some quantum entanglement features of chemical interest. We illustrate that the energetic and quantum-information approaches are necessary for a full understanding of both the geometry of the quantum probability density of molecular systems and the evolution of a chemical reaction. The energy and entanglement hypersurfaces and contour maps of these two models show different phenomena. The energy ones reveal the well-known stable geometry of the models, whereas the entanglement ones grasp the chemical capability to transform from one state system to a new one. In the water molecule the chemical reactivity is witnessed through quantum entanglement as a local minimum indicating the bond cleavage in the dissociation process of the molecule. Finally, quantum entanglement is also useful as a chemical reactivity descriptor by detecting the transition state along the intrinsic reaction path in the hypersurface of the hydrogenic abstraction reaction corresponding to a maximally entangled state.

The Ansel Adams zone system: HDR capture and range compression by chemical processing

NASA Astrophysics Data System (ADS)

McCann, John J.

2010-02-01

We tend to think of digital imaging and the tools of PhotoshopTM as a new phenomenon in imaging. We are also familiar with multiple-exposure HDR techniques intended to capture a wider range of scene information, than conventional film photography. We know about tone-scale adjustments to make better pictures. We tend to think of everyday, consumer, silver-halide photography as a fixed window of scene capture with a limited, standard range of response. This description of photography is certainly true, between 1950 and 2000, for instant films and negatives processed at the drugstore. These systems had fixed dynamic range and fixed tone-scale response to light. All pixels in the film have the same response to light, so the same light exposure from different pixels was rendered as the same film density. Ansel Adams, along with Fred Archer, formulated the Zone System, staring in 1940. It was earlier than the trillions of consumer photos in the second half of the 20th century, yet it was much more sophisticated than today's digital techniques. This talk will describe the chemical mechanisms of the zone system in the parlance of digital image processing. It will describe the Zone System's chemical techniques for image synthesis. It also discusses dodging and burning techniques to fit the HDR scene into the LDR print. Although current HDR imaging shares some of the Zone System's achievements, it usually does not achieve all of them.

Dietitians employed by health care facilities preferred a HACCP system over irradiation or chemical rinses for reducing risk of foodborne disease.

PubMed

Giamalva, J N; Redfern, M; Bailey, W C

1998-08-01

To survey dietitians in health care facilities about the acceptability of alternative meat and poultry processing methods designed to reduce the risk of foodborne disease and their willingness to pay for these processes. A geographically representative sample of 600 members of The American Dietetic Association who work in health care facilities. The response rate was 250 completed questionnaires from 592 eligible subjects (42%). A mail survey was used to gather information on the acceptability of a Hazard Analysis and Critical Control Point (HACCP) system, chemical rinses, and irradiation for increasing the safety of food. Discrete choice contingent valuation was used to determine the acceptability at current prices and at 5, 10, and 25 cents per pound above current prices. Logistic regression was used to estimate mean willingness to pay (the maximum amount respondents are willing to pay) for each process. A simultaneous equations regression model was used to estimate the effects of other variables on acceptability. Respondents expressed a high level of concern for food safety in health care facilities. The estimated mean willingness to pay was highest for a HACCP system and lowest for chemical rinses. The successful adoption of alternative methods to increase food safety depends on their acceptance by foodservice professionals. The professionals sampled were most accepting of a HACCP system, somewhat less accepting of irradiation, and least accepting of new chemical rinses. Poultry and beef processors and government agencies concerned with food safety may want to take into account the attitudes of foodservice professionals.

A system approach for reducing the environmental impact of manufacturing and sustainability improvement of nano-scale manufacturing

NASA Astrophysics Data System (ADS)

Yuan, Yingchun

This dissertation develops an effective and economical system approach to reduce the environmental impact of manufacturing. The system approach is developed by using a process-based holistic method for upstream analysis and source reduction of the environmental impact of manufacturing. The system approach developed consists of three components of a manufacturing system: technology, energy and material, and is useful for sustainable manufacturing as it establishes a clear link between manufacturing system components and its overall sustainability performance, and provides a framework for environmental impact reductions. In this dissertation, the system approach developed is applied for environmental impact reduction of a semiconductor nano-scale manufacturing system, with three case scenarios analyzed in depth on manufacturing process improvement, clean energy supply, and toxic chemical material selection. The analysis on manufacturing process improvement is conducted on Atomic Layer Deposition of Al2O3 dielectric gate on semiconductor microelectronics devices. Sustainability performance and scale-up impact of the ALD technology in terms of environmental emissions, energy consumption, nano-waste generation and manufacturing productivity are systematically investigated and the ways to improve the sustainability of the ALD technology are successfully developed. The clean energy supply is studied using solar photovoltaic, wind, and fuel cells systems for electricity generation. Environmental savings from each clean energy supply over grid power are quantitatively analyzed, and costs for greenhouse gas reductions on each clean energy supply are comparatively studied. For toxic chemical material selection, an innovative schematic method is developed as a visual decision tool for characterizing and benchmarking the human health impact of toxic chemicals, with a case study conducted on six chemicals commonly used as solvents in semiconductor manufacturing. Reliability of the schematic method is validated by comparing its benchmark results on 104 chemicals with that from the conventional Human Toxicity Potential (HTP) method. This dissertation concludes with discussions on environmental impact assessment of nanotechnologies and sustainability management of nano-particles. As nano-manufacturing is emerging for wide industrial applications, improvement and expansion of the system approach would be valuable for use in the environmental management of nano-manufacturing and in the risk control of nano-particles in the interests of public health and the environment.

Future fundamental combustion research for aeropropulsion systems

NASA Technical Reports Server (NTRS)

Mularz, E. J.

1985-01-01

Physical fluid mechanics, heat transfer, and chemical kinetic processes which occur in the combustion chamber of aeropropulsion systems were investigated. With the component requirements becoming more severe for future engines, the current design methodology needs the new tools to obtain the optimum configuration in a reasonable design and development cycle. Research efforts in the last few years were encouraging but to achieve these benefits research is required into the fundamental aerothermodynamic processes of combustion. It is recommended that research continues in the areas of flame stabilization, combustor aerodynamics, heat transfer, multiphase flow and atomization, turbulent reacting flows, and chemical kinetics. Associated with each of these engineering sciences is the need for research into computational methods to accurately describe and predict these complex physical processes. Research needs in each of these areas are highlighted.

Research About the Corosive Effects of FeCl3 in the Aeration Wastewater Basin

NASA Astrophysics Data System (ADS)

Panaitescu, C.; Petrescu, M. G.

2018-01-01

Biological aeration of industrial wastewater is a very impressive process in the treatment of wastewater. The involvement of chemical reagents in this process, however, implies the intensification of the corrosion processes due to both pollutants in the wastewater and the chemical reactions that occur when the coagulation / flocculation reagents are added. This paper explores the action of ferric chloride (FeCl3) on metallic parts in the aeration basin. The most affected structures are metal. At the classical basins the aeration systems were made of P295GH materials. The corrosion produced is uneven. The analysis of the high degree of corrosion was done according to the national and international standards. Finally, the paper supports the replacement of the existing aeration system with an anticorrosive material.

Evaluation of Mercury in Liquid Waste Processing Facilities - Phase I Report

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

Jain, V.; Occhipinti, J.; Shah, H.

2015-07-01

This report provides a summary of Phase I activities conducted to support an Integrated Evaluation of Mercury in Liquid Waste System (LWS) Processing Facilities. Phase I activities included a review and assessment of the liquid waste inventory and chemical processing behavior of mercury using a system by system review methodology approach. Gaps in understanding mercury behavior as well as action items from the structured reviews are being tracked. 64% of the gaps and actions have been resolved.

Evaluation of mercury in liquid waste processing facilities - Phase I report

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

Jain, V.; Occhipinti, J. E.; Shah, H.

2015-07-01

This report provides a summary of Phase I activities conducted to support an Integrated Evaluation of Mercury in Liquid Waste System (LWS) Processing Facilities. Phase I activities included a review and assessment of the liquid waste inventory and chemical processing behavior of mercury using a system by system review methodology approach. Gaps in understanding mercury behavior as well as action items from the structured reviews are being tracked. 64% of the gaps and actions have been resolved.

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

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

Microlithography and resist technology information at your fingertips via SciFinder

NASA Astrophysics Data System (ADS)

Konuk, Rengin; Macko, John R.; Staggenborg, Lisa

1997-07-01

Finding and retrieving the information you need about microlithography and resist technology in a timely fashion can make or break your competitive edge in today's business environment. Chemical Abstracts Service (CAS) provides the most complete and comprehensive database of the chemical literature in the CAplus, REGISTRY, and CASREACT files including 13 million document references, 15 million substance records and over 1.2 million reactions. This includes comprehensive coverage of positive and negative resist formulations and processing, photoacid generation, silylation, single and multilayer resist systems, photomasks, dry and wet etching, photolithography, electron-beam, ion-beam and x-ray lithography technologies and process control, optical tools, exposure systems, radiation sources and steppers. Journal articles, conference proceedings and patents related to microlithography and resist technology are analyzed and indexed by scientific information analysts with strong technical background in these areas. The full CAS database, which is updated weekly with new information, is now available at your desktop, via a convenient, user-friendly tool called 'SciFinder.' Author, subject and chemical substance searching is simplified by SciFinder's smart search features. Chemical substances can be searched by chemical structure, chemical name, CAS registry number or molecular formula. Drawing chemical structures in SciFinder is easy and does not require compliance with CA conventions. Built-in intelligence of SciFinder enables users to retrieve substances with multiple components, tautomeric forms and salts.

Modeling of Laser Material Interactions

NASA Astrophysics Data System (ADS)

Garrison, Barbara

2009-03-01

Irradiation of a substrate by laser light initiates the complex chemical and physical process of ablation where large amounts of material are removed. Ablation has been successfully used in techniques such as nanolithography and LASIK surgery, however a fundamental understanding of the process is necessary in order to further optimize and develop applications. To accurately describe the ablation phenomenon, a model must take into account the multitude of events which occur when a laser irradiates a target including electronic excitation, bond cleavage, desorption of small molecules, ongoing chemical reactions, propagation of stress waves, and bulk ejection of material. A coarse grained molecular dynamics (MD) protocol with an embedded Monte Carlo (MC) scheme has been developed which effectively addresses each of these events during the simulation. Using the simulation technique, thermal and chemical excitation channels are separately studied with a model polymethyl methacrylate system. The effects of the irradiation parameters and reaction pathways on the process dynamics are investigated. The mechanism of ablation for thermal processes is governed by a critical number of bond breaks following the deposition of energy. For the case where an absorbed photon directly causes a bond scission, ablation occurs following the rapid chemical decomposition of material. The study provides insight into the influence of thermal and chemical processes in polymethyl methacrylate and facilitates greater understanding of the complex nature of polymer ablation.

Fracture Toughness, Mechanical Property, And Chemical Characterization Of A Critical Modification To The NASA SLS Solid Booster Internal Material System

NASA Technical Reports Server (NTRS)

Pancoast, Justin; Garrett, William; Moe, Gulia

2015-01-01

A modified propellant-liner-insulation (PLI) bondline in the Space Launch System (SLS) solid rocket booster required characterization for flight certification. The chemical changes to the PLI bondline and the required additional processing have been correlated to mechanical responses of the materials across the bondline. Mechanical properties testing and analyses included fracture toughness, tensile, and shear tests. Chemical properties testing and analyses included Fourier transform infrared (FTIR) spectroscopy, cross-link density, high-performance liquid chromatography (HPLC), gas chromatography (GC), gel permeation chromatography (GPC), and wave dispersion X-ray fluorescence (WDXRF). The testing identified the presence of the expected new materials and found the functional bondline performance of the new PLI system was not significantly changed from the old system.

A review of quantitative structure-property relationships for the fate of ionizable organic chemicals in water matrices and identification of knowledge gaps.

PubMed

Nolte, Tom M; Ragas, Ad M J

2017-03-22

Many organic chemicals are ionizable by nature. After use and release into the environment, various fate processes determine their concentrations, and hence exposure to aquatic organisms. In the absence of suitable data, such fate processes can be estimated using Quantitative Structure-Property Relationships (QSPRs). In this review we compiled available QSPRs from the open literature and assessed their applicability towards ionizable organic chemicals. Using quantitative and qualitative criteria we selected the 'best' QSPRs for sorption, (a)biotic degradation, and bioconcentration. The results indicate that many suitable QSPRs exist, but some critical knowledge gaps remain. Specifically, future focus should be directed towards the development of QSPR models for biodegradation in wastewater and sediment systems, direct photolysis and reaction with singlet oxygen, as well as additional reactive intermediates. Adequate QSPRs for bioconcentration in fish exist, but more accurate assessments can be achieved using pharmacologically based toxicokinetic (PBTK) models. No adequate QSPRs exist for bioconcentration in non-fish species. Due to the high variability of chemical and biological species as well as environmental conditions in QSPR datasets, accurate predictions for specific systems and inter-dataset conversions are problematic, for which standardization is needed. For all QSPR endpoints, additional data requirements involve supplementing the current chemical space covered and accurately characterizing the test systems used.

[Components of plastic disrupt the function of the nervous system].

PubMed

Szychowski, Konrad Andrzej; Wójtowicz, Anna Katarzyna

2013-05-27

Development of the chemical industry leads to the development of new chemical compounds, which naturally do not exist in the environment. These chemicals are used to reduce flammability, increase plasticity, or improve solubility of other substances. Many of these compounds, which are components of plastic, the new generation of cosmetics, medical devices, food packaging and other everyday products, are easily released into the environment. Many studies have shown that a major lipophilicity characterizes substances such as phthalates, BPA, TBBPA and PCBs. This feature allows them to easily penetrate into living cells, accumulate in the tissues and the organs, and affect human and animal health. Due to the chemical structures, these compounds are able to mimic some endogenous hormones such as estradiol and to disrupt the hormone homeostasis. They can also easily pass the placental barrier and the blood-brain barrier. As numerous studies have shown, these chemicals disturb the proper functions of the nervous system from the earliest moments of life. It has been proven that these compounds affect neurogenesis as well as the synaptic transmission process. As a consequence, they interfere with the formation of the sex of the brain, as well as with the learning processes, memory and behavior. Additionally, the cytotoxic and pro-apoptotic effect may cause neurodegenerative diseases. This article presents the current state of knowledge about the effects of phthalates, BPA, TBBPA, and PCBs on the nervous system.

A general strategy for the chemical aspects of the safety assessment of extractables and leachables in pharmaceutical drug products: the chemical assessment triad.

PubMed

Jenke, Dennis

2012-01-01

During the course of their manufacturing, storage, and administration, pharmaceutical drug products come in contact with materials, components, and systems. Such contact may result in an interaction between the drug product and these entities. One such interaction is the migration of substances from these entities and into the drug product, which is of concern due to the potential toxicity of the migrating substances. In order to properly assess the risk and manage the hazard posed by migratory substances, it is necessary to establish the identities of the migratory substances and the levels to which they will accumulate in the finished drug product, as these two pieces of information establish the hazard posed by an individual substance and the magnitude of the patient exposure (dose). The process by which migrating compounds are discovered and identified, and by which their accumulation levels in a finished drug product are established, is termed chemical assessment. Because the development of a finished drug product is a long and complicated process, chemical assessment is most typically not a single action but rather a series of actions that together establish a process of risk management. It is the purpose of this manuscript to establish a high-level strategy, illustrated in the chemical assessment triad, which can be applied to such a risk management process. During the course of their manufacturing, storage, and administration, pharmaceutical drug products come in contact with materials, components, and systems. Such contact may result in an interaction between the drug product and these entities. One such interaction is the migration of substances from these entities and into the drug product, which is of concern due to the potential toxicity of the migrating substances. It is the purpose of this manuscript to outline a high-level strategy, illustrated in the chemical assessment triad, to chemically establish the safety risk related to the migrating substances.

Testing for developmental neurotoxicity using a battery of in vitro assays for key cellular events in neurodevelopment.

PubMed

Harrill, Joshua A; Freudenrich, Theresa; Wallace, Kathleen; Ball, Kenneth; Shafer, Timothy J; Mundy, William R

2018-04-05

Medium- to high-throughput in vitro assays that recapitulate the critical processes of nervous system development have been proposed as a means to facilitate rapid testing and identification of chemicals which may affect brain development. In vivo neurodevelopment is a complex progression of distinct cellular processes. Therefore, batteries of in vitro assays that model and quantify effects on a variety of neurodevelopmental processes have the potential to identify chemicals which may affect brain development at different developmental stages. In the present study, the results of concentration-response screening of 67 reference chemicals in a battery of high content imaging and microplate reader-based assays that evaluate neural progenitor cell proliferation, neural proginitor cell apoptosis, neurite initiation/outgrowth, neurite maturation and synaptogenesis are summarized and compared. The assay battery had a high degree of combined sensitivity (87%) for categorizing chemicals known to affect neurodevelopment as active and a moderate degree of combined specificity (71%) for categorizing chemicals not associated with affects on neurodevelopment as inactive. The combined sensitivity of the assay battery was higher compared to any individual assay while the combined specificity of the assay battery was lower compared to any individual assay. When selectivity of effects for a neurodevelopmental endpoint as compared to general cytotoxicity was taken into account, the combined sensitivity of the assay battery decreased (68%) while the combined specificity increased (93%). The identity and potency of chemicals identified as active varied across the assay battery, underscoring the need for use of a combination of diverse in vitro models to comprehensively screen chemicals and identify those which potentially affect neurodevelopment. Overall, these data indicate that a battery of assays which address many different processes in nervous system development may be used to identify potential developmental neurotoxicants and to distinguish specific from generalized cytotoxic effects with a high degree of success. Published by Elsevier Inc.

Closed-Loop Control of Chemical Injection Rate for a Direct Nozzle Injection System

PubMed Central

Cai, Xiang; Walgenbach, Martin; Doerpmond, Malte; Schulze Lammers, Peter; Sun, Yurui

2016-01-01

To realize site-specific and variable-rate application of agricultural pesticides, accurately metering and controlling the chemical injection rate is necessary. This study presents a prototype of a direct nozzle injection system (DNIS) by which chemical concentration transport lag was greatly reduced. In this system, a rapid-reacting solenoid valve (RRV) was utilized for injecting chemicals, driven by a pulse-width modulation (PWM) signal at 100 Hz, so with varying pulse width the chemical injection rate could be adjusted. Meanwhile, a closed-loop control strategy, proportional-integral-derivative (PID) method, was applied for metering and stabilizing the chemical injection rate. In order to measure chemical flow rates and input them into the controller as a feedback in real-time, a thermodynamic flowmeter that was independent of chemical viscosity was used. Laboratory tests were conducted to assess the performance of DNIS and PID control strategy. Due to the nonlinear input–output characteristics of the RRV, a two-phase PID control process obtained better effects as compared with single PID control strategy. Test results also indicated that the set-point chemical flow rate could be achieved within less than 4 s, and the output stability was improved compared to the case without control strategy. PMID:26805833

Impact of mixing chemically heterogeneous groundwaters on the sustainability of an open-loop groundwater heat pump

NASA Astrophysics Data System (ADS)

Burté, L.; Farasin, J.; Cravotta, C., III; Gerard, M. F.; Cotiche Baranger, C.; Aquilina, L.; Le Borgne, T.

2017-12-01

Geothermal systems using shallow aquifers are commonly used for heating and cooling. The sustainability of these systems can be severely impacted by the occurrence of clogging process. The geothermal loop operation (including pumping of groundwater, filtering and heat extraction through exchangers and cooled water injection) can lead to an unexpected biogeochemical reactivity and scaling formation that can ultimately lead to the shutdown of the geothermal doublet. Here, we report the results of investigations carried out on a shallow geothermal doublet (< 40 m depth) affected by rapid clogging processes linked to iron and manganese oxidation. Using a reactive transport model, we determine the parameters controlling clogging. To characterize the biogeochemical processes induced by the operation of the production well, we combined hydrodynamic measurements by flowmeter and in-situ chemical depth profiles. We thus investigated the chemical heterogeneity into the pumping well as a function of the operating conditions (static or dynamic). Hydrochemical data collected at the pumping well showed that groundwater was chemically heterogeneous long the 11 meters well screen. While the aquifer was dominantly oxic, a localized inflow of anoxic water was detected and evaluated to produce about 40% of the total flow . The mixture of chemically heterogeneous water induced by pumping lead to the oxidation of reductive species and thus to the formation of biogenic precipitates responsible for clogging. The impact of pumping waters of different redox potential and chemical characteristics was quantified by numerical modeling using PHREEQC. These results shows that natural chemical heterogeneity can occur at a small scale in heterogeneous aquifers and highlight the importance of their characterization during the production well testing and the geothermal loop operation in order to take preventive measures to avoid clogging.

Controls on dissolved organic carbon quantity and chemical character in temperate rivers of North America

USGS Publications Warehouse

Hanley, Kevin W.; Wollheim, Wilfred M.; Salisbury, Joseph; Huntington, Thomas G.; Aiken, George R.

2013-01-01

Understanding the processes controlling the transfer and chemical composition of dissolved organic carbon (DOC) in freshwater systems is crucial to understanding the carbon cycle and the effects of DOC on water quality. Previous studies have identified watershed-scale controls on bulk DOC flux and concentration among small basins but fewer studies have explored controls among large basins or simultaneously considered the chemical composition of DOC. Because the chemical character of DOC drives riverine biogeochemical processes such as metabolism and photodegradation, accounting for chemical character in watershed-scale studies will improve the way bulk DOC variability in rivers is interpreted. We analyzed DOC quantity and chemical character near the mouths of 17 large North American rivers, primarily between 2008 and 2010, and identified watershed characteristics that controlled variability. We quantified DOC chemical character using both specific ultraviolet absorbance at 254 nm (SUVA254) and XAD-resin fractionation. Mean DOC concentration ranged from 2.1 to 47 mg C L−1 and mean SUVA254 ranged from 1.3 to 4.7 L mg C−1 m−1. We found a significant positive correlation between basin wetland cover and both bulk DOC concentration (R2 = 0.78; p < 0.0001) and SUVA254 (R2 = 0.91; p < 0.0001), while other land use characteristics were not correlated. The strong wetland relationship with bulk DOC concentration is similar to that found by others in small headwater catchments. However, two watersheds with extremely long surface water residence times, the Colorado and St. Lawrence, diverged from this wetland relationship. These results suggest that the role of riverine processes in altering the terrestrial DOC signal at the annual scale was minimal except in river systems with long surface water residence times. However, synoptic DOC sampling of both quantity and character throughout river networks will be needed to more rigorously test this finding. The inclusion of DOC chemical character will be vital to achieving a more complete understanding of bulk DOC dynamics in large river systems.

Bicanonical ab Initio Molecular Dynamics for Open Systems.

PubMed

Frenzel, Johannes; Meyer, Bernd; Marx, Dominik

2017-08-08

Performing ab initio molecular dynamics simulations of open systems, where the chemical potential rather than the number of both nuclei and electrons is fixed, still is a challenge. Here, drawing on bicanonical sampling ideas introduced two decades ago by Swope and Andersen [ J. Chem. Phys. 1995 , 102 , 2851 - 2863 ] to calculate chemical potentials of liquids and solids, an ab initio simulation technique is devised, which introduces a fictitious dynamics of two superimposed but otherwise independent periodic systems including full electronic structure, such that either the chemical potential or the average fractional particle number of a specific chemical species can be kept constant. As proof of concept, we demonstrate that solvation free energies can be computed from these bicanonical ab initio simulations upon directly superimposing pure bulk water and the respective aqueous solution being the two limiting systems. The method is useful in many circumstances, for instance for studying heterogeneous catalytic processes taking place on surfaces where the chemical potential of reactants rather than their number is controlled and opens a pathway toward ab initio simulations at constant electrochemical potential.

Chemical Memory Reactions Induced Bursting Dynamics in Gene Expression

PubMed Central

Tian, Tianhai

2013-01-01

Memory is a ubiquitous phenomenon in biological systems in which the present system state is not entirely determined by the current conditions but also depends on the time evolutionary path of the system. Specifically, many memorial phenomena are characterized by chemical memory reactions that may fire under particular system conditions. These conditional chemical reactions contradict to the extant stochastic approaches for modeling chemical kinetics and have increasingly posed significant challenges to mathematical modeling and computer simulation. To tackle the challenge, I proposed a novel theory consisting of the memory chemical master equations and memory stochastic simulation algorithm. A stochastic model for single-gene expression was proposed to illustrate the key function of memory reactions in inducing bursting dynamics of gene expression that has been observed in experiments recently. The importance of memory reactions has been further validated by the stochastic model of the p53-MDM2 core module. Simulations showed that memory reactions is a major mechanism for realizing both sustained oscillations of p53 protein numbers in single cells and damped oscillations over a population of cells. These successful applications of the memory modeling framework suggested that this innovative theory is an effective and powerful tool to study memory process and conditional chemical reactions in a wide range of complex biological systems. PMID:23349679

Chemical memory reactions induced bursting dynamics in gene expression.

PubMed

Tian, Tianhai

2013-01-01

Memory is a ubiquitous phenomenon in biological systems in which the present system state is not entirely determined by the current conditions but also depends on the time evolutionary path of the system. Specifically, many memorial phenomena are characterized by chemical memory reactions that may fire under particular system conditions. These conditional chemical reactions contradict to the extant stochastic approaches for modeling chemical kinetics and have increasingly posed significant challenges to mathematical modeling and computer simulation. To tackle the challenge, I proposed a novel theory consisting of the memory chemical master equations and memory stochastic simulation algorithm. A stochastic model for single-gene expression was proposed to illustrate the key function of memory reactions in inducing bursting dynamics of gene expression that has been observed in experiments recently. The importance of memory reactions has been further validated by the stochastic model of the p53-MDM2 core module. Simulations showed that memory reactions is a major mechanism for realizing both sustained oscillations of p53 protein numbers in single cells and damped oscillations over a population of cells. These successful applications of the memory modeling framework suggested that this innovative theory is an effective and powerful tool to study memory process and conditional chemical reactions in a wide range of complex biological systems.

Extraction of CYP chemical interactions from biomedical literature using natural language processing methods.

PubMed

Jiao, Dazhi; Wild, David J

2009-02-01

This paper proposes a system that automatically extracts CYP protein and chemical interactions from journal article abstracts, using natural language processing (NLP) and text mining methods. In our system, we employ a maximum entropy based learning method, using results from syntactic, semantic, and lexical analysis of texts. We first present our system architecture and then discuss the data set for training our machine learning based models and the methods in building components in our system, such as part of speech (POS) tagging, Named Entity Recognition (NER), dependency parsing, and relation extraction. An evaluation of the system is conducted at the end, yielding very promising results: The POS, dependency parsing, and NER components in our system have achieved a very high level of accuracy as measured by precision, ranging from 85.9% to 98.5%, and the precision and the recall of the interaction extraction component are 76.0% and 82.6%, and for the overall system are 68.4% and 72.2%, respectively.

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.

Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO2

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

Appel, Aaron M.; Bercaw, John E.; Bocarsly, Andrew B.

2013-08-14

Our central premise is that catalytic scientists can learn by studying how these important metabolic processes occur in nature. Complementarily, biochemists can learn by studying how catalytic scientists view these same chemical transformations promoted by synthetic catalysts. From these studies, hypotheses can be developed and tested through manipulation of enzyme structure and by synthesizing simple molecular catalysts to incorporate different structural features of the enzymes. It is hoped that these studies will lead to new and useful concepts in catalyst design for fuel production and utilization. This paper describes the results of a workshop held to explore these concepts inmore » regard to the development of new and more efficient catalytic processes for the conversion of CO2 to a variety of carbon-based fuels. The organization of this overview/review is as follows: 1) The first section briefly explores how interactions between the catalysis and biological communities have been fruitful in developing new catalysts for the reduction of protons to hydrogen, the simplest fuel generation reaction. 2) The second section assesses the state of the art in both biological and chemical reduction of CO2 by two electrons to form either carbon monoxide (CO) or formate (HCOO-). It also attempts to identify common principles between biological and synthetic catalysts and productive areas for future research. 3) The third section explores both biological and chemical processes that result in the reduction of CO2 beyond the level of CO and formate, again seeking to identify common principles and productive areas of future research. 4) The fourth section explores the formation of carbon-carbon bonds in biological and chemical systems in the same vein as the other sections. 5) A fifth section addresses the role of non-redox reactions of CO2 in biological systems and their role in carbon metabolism, with a parallel discussion of chemical systems. 6) In section 6, the topics of electrode modification, photochemical systems, and tandem catalysis are briefly discussed. These areas may be important for developing practical systems for CO2 reduction, and they share the common theme of coupling chemical reactions. 7) Section 7 describes some of the crosscutting activities that are critical for advancing the science underpinning catalyst development. 8) The last section attempts to summarize common issues in biological and chemical catalysis and to identify challenges that must be addressed to achieve practical catalysts that are suitable for the reduction of CO2 to fuels.« less

PumpKin: A tool to find principal pathways in plasma chemical models

NASA Astrophysics Data System (ADS)

Markosyan, A. H.; Luque, A.; Gordillo-Vázquez, F. J.; Ebert, U.

2014-10-01

PumpKin is a software package to find all principal pathways, i.e. the dominant reaction sequences, in chemical reaction systems. Although many tools are available to integrate numerically arbitrarily complex chemical reaction systems, few tools exist in order to analyze the results and interpret them in relatively simple terms. In particular, due to the large disparity in the lifetimes of the interacting components, it is often useful to group reactions into pathways that recycle the fastest species. This allows a researcher to focus on the slow chemical dynamics, eliminating the shortest timescales. Based on the algorithm described by Lehmann (2004), PumpKin automates the process of finding such pathways, allowing the user to analyze complex kinetics and to understand the consumption and production of a certain species of interest. We designed PumpKin with an emphasis on plasma chemical systems but it can also be applied to atmospheric modeling and to industrial applications such as plasma medicine and plasma-assisted combustion.

On Study of Application of Micro-reactor in Chemistry and Chemical Field

NASA Astrophysics Data System (ADS)

Zhang, Yunshen

2018-02-01

Serving as a micro-scale chemical reaction system, micro-reactor is characterized by high heat transfer efficiency and mass transfer, strictly controlled reaction time and good safety performance; compared with the traditional mixing reactor, it can effectively shorten reaction time by virtue of these advantages and greatly enhance the chemical reaction conversion rate. However, problems still exist in the process where micro-reactor is used for production in chemistry and chemical field, and relevant researchers are required to optimize and perfect the performance of micro-reactor. This paper analyzes specific application of micro-reactor in chemistry and chemical field.

Quantum chemical characterization of zwitterionic structures: Supramolecular complexes for modifying the wettability of oil-water-limestone system.

PubMed

Lopez-Chavez, Ernesto; Garcia-Quiroz, Alberto; Gonzalez-Garcia, Gerardo; Orozco-Duran, Gabriela E; Zamudio-Rivera, Luis S; Martinez-Magadan, José M; Buenrostro-Gonzalez, Eduardo; Hernandez-Altamirano, Raul

2014-06-01

In this work, we present a quantum chemical study pertaining to some supramolecular complexes acting as wettability modifiers of oil-water-limestone system. The complexes studied are derived from zwitterionic liquids of the types N'-alkyl-bis, N-alquenil, N-cycloalkyl, N-amyl-bis-beta amino acid or salts acting as sparkling agents. We studied two molecules of zwitterionic liquids (ZL10 and ZL13), HOMO and LUMO levels, and the energy gap between them, were calculated, as well as the electron affinity (EA) and ionization potential (IP), chemical potential, chemical hardness, chemical electrophilicity index and selectivity descriptors such Fukui indices. In this work, electrochemical comparison was realized with cocamidopropyl betaine (CPB), which is a structure zwitterionic liquid type, nowadays widely applied in enhanced recovery processes. Copyright © 2014 Elsevier Inc. All rights reserved.

Potential technology transfers of research on low-temperature carbon monoxide-oxygen recombination catalysts

NASA Technical Reports Server (NTRS)

Poziomek, Edward J.

1990-01-01

Results from research on catalytic recombination of CO-O2 for stable closed-cycle operation of CO2 lasers hold much promise for a variety of technology transfer. Expansion of CO2 laser remote sensing applications toward chemical detection and pollution monitoring would certainly be expected. However, the catalysts themselves may be especially effective in low-temperature oxidation of a number of chemicals in addition to CO. It is therefore of interest to compare the CO-O2 catalysts with chemical systems designed for chemical sensing, air purification and process catalysis. Success in understanding the catalytic mechanisms of the recombination of CO-O2 could help to shed light on how catalyst systems operate. New directions in low-temperature oxidation catalysts, coatings for chemical sensors and sorbents for air purification could well emerge.

Unconventional processes for food regeneration in space - An overview

NASA Technical Reports Server (NTRS)

Stokes, B. O.; Petersen, G. R.; Schubert, W. W.; Mueller, W. A.

1981-01-01

Alternatives to conventional plant agriculture for the regeneration of food during space missions of extended duration are examined. The options considered, which may be used in combination with conventional agriculture, include the production of food from plant wastes, the chemical synthesis of food from carbon dioxide and other simple molecules or the substitution of edible chemicals, and the use of microrganisms for food and oxygen regeneration, with suitable processing. A comparison of solar energy conversion efficiencies is presented for nonphotosynthetic bacteria grown on hydrogen and algal systems photosynthetically, and it is shown that hydrogen bacteria are potentially more attractive than photosynthetic algae using artificial light. Weight-volume requirements for the conventional plant, algae and hydrogen bacteria systems are also compared to demonstrate the advantages of microbial systems.

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

Distributed delays in a hybrid model of tumor-immune system interplay.

PubMed

Caravagna, Giulio; Graudenzi, Alex; d'Onofrio, Alberto

2013-02-01

A tumor is kinetically characterized by the presence of multiple spatio-temporal scales in which its cells interplay with, for instance, endothelial cells or Immune system effectors, exchanging various chemical signals. By its nature, tumor growth is an ideal object of hybrid modeling where discrete stochastic processes model low-numbers entities, and mean-field equations model abundant chemical signals. Thus, we follow this approach to model tumor cells, effector cells and Interleukin-2, in order to capture the Immune surveillance effect. We here present a hybrid model with a generic delay kernel accounting that, due to many complex phenomena such as chemical transportation and cellular differentiation, the tumor-induced recruitment of effectors exhibits a lag period. This model is a Stochastic Hybrid Automata and its semantics is a Piecewise Deterministic Markov process where a two-dimensional stochastic process is interlinked to a multi-dimensional mean-field system. We instantiate the model with two well-known weak and strong delay kernels and perform simulations by using an algorithm to generate trajectories of this process. Via simulations and parametric sensitivity analysis techniques we (i) relate tumor mass growth with the two kernels, we (ii) measure the strength of the Immune surveillance in terms of probability distribution of the eradication times, and (iii) we prove, in the oscillatory regime, the existence of a stochastic bifurcation resulting in delay-induced tumor eradication.

Designing Systems for Environmental Sustainability

EPA Science Inventory

Dr. Smith will describe his U.S. EPA research which involves elements of design, from systems as diverse as biofuel supply chains to recycling systems and chemical processes. Design uses models that rate performance as part of a synthesis approach, where steps of analysis and sy...

Fail-safe bidirectional valve driver

NASA Technical Reports Server (NTRS)

Fujimoto, H.

1974-01-01

Cross-coupled diodes are added to commonly used bidirectional valve driver circuit to protect circuit and power supply. Circuit may be used in systems requiring fail-safe bidirectional valve operation, particularly in chemical- and petroleum-processing control systems and computer-controlled hydraulic or pneumatic systems.

An approach in building a chemical compound search engine in oracle database.

PubMed

Wang, H; Volarath, P; Harrison, R

2005-01-01

A searching or identifying of chemical compounds is an important process in drug design and in chemistry research. An efficient search engine involves a close coupling of the search algorithm and database implementation. The database must process chemical structures, which demands the approaches to represent, store, and retrieve structures in a database system. In this paper, a general database framework for working as a chemical compound search engine in Oracle database is described. The framework is devoted to eliminate data type constrains for potential search algorithms, which is a crucial step toward building a domain specific query language on top of SQL. A search engine implementation based on the database framework is also demonstrated. The convenience of the implementation emphasizes the efficiency and simplicity of the framework.

Chondritic Meteorites: Nebular and Parent-Body Formation Process

NASA Technical Reports Server (NTRS)

Rubin, Alan E.

1997-01-01

Chondritic meteorites are the products of condensation, agglomeration and accretion of material in the solar nebula; these objects are the best sources of information regarding processes occurring during the early history of the solar system. We obtain large amounts of high-quality chemical and petrographic data and use them to infer chemical fractionation processes that occurred in the solar nebula and on meteorite parent bodies during thermal metamorphism, shock metamorphism and aqueous alteration. We compare diverse groups of chondrites and model their different properties in terms of processes that differed at different nebular locations or on different parent-bodies. In order to expand our set of geochemically important elements (particularly Si, C, P and S) and to distinguish the different oxidation states of Fe, Greg Kallemeyn spent three months (1 Sept. - 30 Nov. 1995) at the Smithsonian Institution to learn Eugene Jarosewich's wet chemical techniques. Key specimens from the recently established CK, CR and R chondrite groups were analyzed.

Solar nebula condensates and the composition of comets

NASA Technical Reports Server (NTRS)

Lunine, J. I.

1989-01-01

Interpretation of the volatile abundances in Halley's comet in terms of models for chemical and physical processes in the solar nebula are discussed. Key ratios of the oxidized and reduced species of nitrogen and carbon are identified which tell something of the chemical history of the environment in which cometary grains accreted to form the nucleus. Isotopic abundances are also applied to this problem. It will be shown that the abundances of methane and carbon monoxide are consistent both with models of solar nebula chemistry and chemical processing on grains in star-forming regions. Ultimately, limitations of the current data set on molecular abundances in comets and star-forming regions prevent a definitive choice between the two. Processes important to the composition of outer solar system bodies are: (1) gas phase chemistry in the solar nebula; (2) imperfect mixing in the solar nebula; (3) condensation; (4) clathration; (5) adsorption; and (6) processing of interstellar material.

Aerospace Environmental Technology Conference

NASA Technical Reports Server (NTRS)

Whitaker, A. F. (Editor)

1995-01-01

The mandated elimination of CFC's, Halons, TCA, and other ozone depleting chemicals and specific hazardous materials has required changes and new developments in aerospace materials and processes. The aerospace industry has been involved for several years in providing product substitutions, redesigning entire production processes, and developing new materials that minimize or eliminate damage to the environment. These activities emphasize replacement cleaning solvents and their application verifications, compliant coatings including corrosion protection systems, and removal techniques, chemical propulsion effects on the environment, and the initiation of modifications to relevant processing and manufacturing specifications and standards. The Executive Summary of this Conference is published as NASA CP-3297.

Microcomponent chemical process sheet architecture

DOEpatents

Wegeng, Robert S.; Drost, M. Kevin; Call, Charles J.; Birmingham, Joseph G.; McDonald, Carolyn Evans; Kurath, Dean E.; Friedrich, Michele

1998-01-01

The invention is a microcomponent sheet architecture wherein macroscale unit processes are performed by microscale components. The sheet architecture may be a single laminate with a plurality of separate microcomponent sections or the sheet architecture may be a plurality of laminates with one or more microcomponent sections on each laminate. Each microcomponent or plurality of like microcomponents perform at least one chemical process unit operation. A first laminate having a plurality of like first microcomponents is combined with at least a second laminate having a plurality of like second microcomponents thereby combining at least two unit operations to achieve a system operation.

Microcomponent chemical process sheet architecture

DOEpatents

Wegeng, R.S.; Drost, M.K.; Call, C.J.; Birmingham, J.G.; McDonald, C.E.; Kurath, D.E.; Friedrich, M.

1998-09-22

The invention is a microcomponent sheet architecture wherein macroscale unit processes are performed by microscale components. The sheet architecture may be a single laminate with a plurality of separate microcomponent sections or the sheet architecture may be a plurality of laminates with one or more microcomponent sections on each laminate. Each microcomponent or plurality of like microcomponents perform at least one chemical process unit operation. A first laminate having a plurality of like first microcomponents is combined with at least a second laminate having a plurality of like second microcomponents thereby combining at least two unit operations to achieve a system operation. 26 figs.

Hera - an ESA M-class Saturn Entry Probe Mission Proposal

NASA Astrophysics Data System (ADS)

Atkinson, D. H.; Mousis, O.; Spilker, T. R.; Venkatapathy, E.; Poncy, J.; Coustenis, A.; Reh, K. R.

2015-12-01

A fundamental goal of solar system exploration is to understand the origin of the solar system, the initial stages, conditions, and processes by which the solar system formed, how the formation process was initiated, and the nature of the interstellar seed material from which the solar system was born. Key to understanding solar system formation and subsequent dynamical and chemical evolution is the origin and evolution of the giant planets and their atmospheres. Additionally, the atmospheres of the giant planets serve as laboratories to better understand the atmospheric chemistries, dynamics, processes, and climates on all planets in the solar system including Earth, offer a context and provide a ground truth for exoplanets and exoplanetary systems, and have long been thought to play a critical role in the development of potentially habitable planetary systems. Remote sensing observations are limited when used to study the bulk atmospheric composition of the giant planets of our solar system. A remarkable example of the value of in situ measurements is provided by measurements of Jupiter's noble gas abundances and helium mixing ratio by the Galileo probe. In situ measurements provide direct access to atmospheric regions that are beyond the reach of remote sensing, enabling the dynamical, chemical and aerosol-forming processes at work from the thermosphere to the troposphere below the cloud decks to be studied. Studies for a newly proposed Saturn atmospheric entry probe mission named Hera is being prepared for the upcoming European Space Agency Medium Class (M5) mission announcement of opportunity. A solar powered mission, Hera will take approximately 8 years to reach Saturn and will carry instruments to measure the composition, structure, and dynamics of Saturn's atmosphere. In the context of giant planet science provided by the Galileo, Juno, and Cassini missions to Jupiter and Saturn, the Hera Saturn probe will provide critical measurements of composition, structure, and processes that are not accessible by remote sensing. The results of Hera will help test competing theories of solar system and giant planet origin, chemical, and dynamical evolution.

Development of an integrated chemical weather prediction system for environmental applications at meso to global scales: NMMB/BSC-CHEM

NASA Astrophysics Data System (ADS)

Jorba, O.; Pérez, C.; Karsten, K.; Janjic, Z.; Dabdub, D.; Baldasano, J. M.

2009-09-01

This contribution presents the ongoing developments of a new fully on-line chemical weather prediction system for meso to global scale applications. The modeling system consists of a mineral dust module and a gas-phase chemistry module coupled on-line to a unified global-regional atmospheric driver. This approach allows solving small scale processes and their interactions at local to global scales. Its unified environment maintains the consistency of all the physico-chemical processes involved. The atmospheric driver is the NCEP/NMMB numerical weather prediction model (Janjic and Black, 2007) developed at National Centers for Environmental Prediction (NCEP). It represents an evolution of the operational WRF-NMME model extending from meso to global scales. Its unified non-hydrostatic dynamical core supports regional and global simulations. The Barcelona Supercomputing Center is currently designing and implementing a chemistry transport model coupled online with the new global/regional NMMB. The new modeling system is intended to be a powerful tool for research and to provide efficient global and regional chemical weather forecasts at sub-synoptic and mesoscale resolutions. The online coupling of the chemistry follows the approach similar to that of the mineral dust module already coupled to the atmospheric driver, NMMB/BSC-DUST (Pérez et al., 2008). Chemical species are advected and mixed at the corresponding time steps of the meteorological tracers using the same numerical scheme. Advection is eulerian, positive definite and monotone. The chemical mechanism and chemistry solver is based on the Kinetic PreProcessor KPP (Damian et al., 2002) package with the main purpose of maintaining a wide flexibility when configuring the model. Such approach will allow using a simplified chemical mechanism for global applications or a more complete mechanism for high-resolution local or regional studies. Moreover, it will permit the implementation of a specific configuration for forecasting applications in regional or global domains. An emission process allows the coupling of different emission inventories sources such as RETRO, EDGAR and GEIA for the global domain, EMEP for Europe and HERMES for Spain. The photolysis scheme is based on the Fast-J scheme, coupled with physics of each model layer (e.g., aerosols, clouds, absorbers as ozone) and it considers grid-scale clouds from the atmospheric driver. The dry deposition scheme follows the deposition velocity analogy for gases, enabling the calculation of deposition fluxes from airborne concentrations. No cloud-chemistry processes are included in the system yet (no wet deposition, scavenging and aqueous chemistry). The modeling system developments will be presented and first results of the gas-phase chemistry at global scale will be discussed. REFERENCES Janjic, Z.I., and Black, T.L., 2007. An ESMF unified model for a broad range of spatial and temporal scales, Geophysical Research Abstracts, 9, 05025. Pérez, C., Haustein, K., Janjic, Z.I., Jorba, O., Baldasano, J.M., Black, T.L., and Nickovic, S., 2008. An online dust model within the meso to global NMMB: current progress and plans. AGU Fall Meeting, San Francisco, A41K-03, 2008. Damian, V., Sandu, A., Damian, M., Potra, F., and Carmichael, G.R., 2002. The kinetic preprocessor KPP - A software environment for solving chemical kinetics. Comp. Chem. Eng., 26, 1567-1579. Sandu, A., and Sander, R., 2006. Technical note:Simulating chemical systems in Fortran90 and Matlab with the Kinetic PreProcessor KPP-2.1. Atmos. Chem. and Phys., 6, 187-195.

System and process for polarity swing assisted regeneration of gas selective capture liquids

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

Heldebrant, David J.; Tegrotenhuis, Ward E.; Freeman, Charles J.

A polarity swing-assisted regeneration (PSAR) process is disclosed for improving the efficiency of releasing gases chemically bound to switchable ionic liquids. Regeneration of the SWIL involves addition of a quantity of non-polar organic compound as an anti-solvent to destabilize the SWIL, which aids in release of the chemically bound gas. The PSAR decreases gas loading of a SWIL at a given temperature and increases the rate of gas release compared to heating in the absence of anti-solvent.

Infrared control coating of thin film devices

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

Berland, Brian Spencer; Stowell, Jr., Michael Wayne; Hollingsworth, Russell

Systems and methods for creating an infrared-control coated thin film device with certain visible light transmittance and infrared reflectance properties are disclosed. The device may be made using various techniques including physical vapor deposition, chemical vapor deposition, thermal evaporation, pulsed laser deposition, sputter deposition, and sol-gel processes. In particular, a pulsed energy microwave plasma enhanced chemical vapor deposition process may be used. Production of the device may occur at speeds greater than 50 Angstroms/second and temperatures lower than 200.degree. C.

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.

Marked and variable inhibition by chemical fixation of cytochrome oxidase and succinate dehydrogenase in single motoneurons

NASA Technical Reports Server (NTRS)

Chalmers, G. R.; Edgerton, V. R.

1989-01-01

The effect of tissue fixation on succinate dehydrogenase and cytochrome oxidase activity in single motoneurons of the rat was demonstrated using a computer image processing system. Inhibition of enzyme activity by chemical fixation was variable, with some motoneurons being affected more than others. It was concluded that quantification of enzymatic activity in chemically fixed tissue provides an imprecise estimate of enzyme activities found in fresh-frozen tissues.

Analysis of Gas Dissociation Solar Thermal Power System

DTIC Science & Technology

1975-01-01

of utilizing the collected heat for chemical processing are discussed. / INrRoDUCro,4 treservoir.Along the bottom of the reservoir are placed The...that have accumulated at the facility is effected by using reversible chemical reactions bottom of the reservoir. in a dosed-cycle gaseous working fluid...solar energy collection field, the molten-solid salt heat plus 23 kcal mole’ of chemical reaction energy. Hence, energy reservoir, the gaseous closed

Coercion in the Evolution of Plant-Microbe Communication: A Perspective.

PubMed

Rowe, S L; Norman, J S; Friesen, M L

2018-06-06

Plants and microbes are dependent on chemical signals as a means of interkingdom communication. There are two predicted paths for the evolution of these signals. Ritualization is the oft-assumed pathway for the evolution of plant-microbe communication systems. In this process, chemical signals, which benefit both receiver and sender, evolve from chemical cues, which benefit only the receiver. However, plant-microbe signaling may evolve from coercive interactions as well, a process known as sensory manipulation. Here, we aim to highlight the prevalence of coercive interactions and discuss sensory manipulation in the context of plant-microbe interactions. We present two examples of stabilized coercion: microbial coercion of plants via the release of phytohormones and plant coercion of microbes via manipulation of quorum-sensing compounds. Furthermore, we provide an evolutionary framework for the emergence of signaling from coercive plant-microbe interactions through the process of sensory manipulation. We hope that researchers will recognize the relevance of coercive interactions in plant-microbe systems and consider sensory manipulation as a plausible evolutionary trajectory for the emergence of plant-microbe signaling.

Chemical spoilage extent traceability of two kinds of processed pork meats using one multispectral system developed by hyperspectral imaging combined with effective variable selection methods.

PubMed

Cheng, Weiwei; Sun, Da-Wen; Pu, Hongbin; Wei, Qingyi

2017-04-15

The feasibility of hyperspectral imaging (HSI) (400-1000nm) for tracing the chemical spoilage extent of the raw meat used for two kinds of processed meats was investigated. Calibration models established separately for salted and cooked meats using full wavebands showed good results with the determination coefficient in prediction (R 2 P ) of 0.887 and 0.832, respectively. For simplifying the calibration models, two variable selection methods were used and compared. The results showed that genetic algorithm-partial least squares (GA-PLS) with as much continuous wavebands selected as possible always had better performance. The potential of HSI to develop one multispectral system for simultaneously tracing the chemical spoilage extent of the two kinds of processed meats was also studied. Good result with an R 2 P of 0.854 was obtained using GA-PLS as the dimension reduction method, which was thus used to visualize total volatile base nitrogen (TVB-N) contents corresponding to each pixel of the image. Copyright © 2016 Elsevier Ltd. All rights reserved.

Using GREENSCOPE for Sustainable Process Design: An Educational Opportunity

EPA Science Inventory

Increasing sustainability can be approached through the education of those who design, construct, and operate facilities. As chemical engineers learn elements of process systems engineering, they can be introduced to sustainability concepts. The EPA’s GREENSCOPE methodology and...

Accumulation of Contaminants in the Distribution System.

EPA Science Inventory

Removal of arsenic from water using iron-related processes including coagulation with iron salts, iron removal with oxidation/filtration, and specific iron resins is established. These processes are effective because iron solids including minerals and chemical floc have strong ad...

Chemical recognition of gases and gas mixtures with terahertz waves.

PubMed

Jacobsen, R H; Mittleman, D M; Nuss, M C

1996-12-15

A time-domain chemical-recognition system for classifying gases and analyzing gas mixtures is presented. We analyze the free induction decay exhibited by gases excited by far-infrared (terahertz) pulses in the time domain, using digital signal-processing techniques. A simple geometric picture is used for the classif ication of the waveforms measured for unknown gas species. We demonstrate how the recognition system can be used to determine the partial pressures of an ammonia-water gas mixture.

Chemical recognition of gases and gas mixtures with terahertz waves

NASA Astrophysics Data System (ADS)

Jacobsen, R. H.; Mittleman, D. M.; Nuss, M. C.

1996-12-01

A time-domain chemical-recognition system for classifying gases and analyzing gas mixtures is presented. We analyze the free induction decay exhibited by gases excited by far-infrared (terahertz) pulses in the time domain, using digital signal-processing techniques. A simple geometric picture is used for the classification of the waveforms measured for unknown gas species. We demonstrate how the recognition system can be used to determine the partial pressures of an ammonia-water gas mixture.

All-organic microelectromechanical systems integrating specific molecular recognition--a new generation of chemical sensors.

PubMed

Ayela, Cédric; Dubourg, Georges; Pellet, Claude; Haupt, Karsten

2014-09-03

Cantilever-type all-organic microelectromechanical systems based on molecularly imprinted polymers for specific analyte recognition are used as chemical sensors. They are produced by a simple spray-coating-shadow-masking process. Analyte binding to the cantilever generates a measurable change in its resonance frequency. This allows label-free detection by direct mass sensing of low-molecular-weight analytes at nanomolar concentrations. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Analysis of the comprehensibility of chemical hazard communication tools at the industrial workplace.

PubMed

Ta, Goh Choo; Mokhtar, Mazlin Bin; Mohd Mokhtar, Hj Anuar Bin; Ismail, Azmir Bin; Abu Yazid, Mohd Fadhil Bin Hj

2010-01-01

Chemical classification and labelling systems may be roughly similar from one country to another but there are significant differences too. In order to harmonize various chemical classification systems and ultimately provide consistent chemical hazard communication tools worldwide, the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) was endorsed by the United Nations Economic and Social Council (ECOSOC). Several countries, including Japan, Taiwan, Korea and Malaysia, are now in the process of implementing GHS. It is essential to ascertain the comprehensibility of chemical hazard communication tools that are described in the GHS documents, namely the chemical labels and Safety Data Sheets (SDS). Comprehensibility Testing (CT) was carried out with a mixed group of industrial workers in Malaysia (n=150) and factors that influence the comprehensibility were analysed using one-way ANOVA. The ability of the respondents to retrieve information from the SDS was also tested in this study. The findings show that almost all the GHS pictograms meet the ISO comprehension criteria and it is concluded that the underlying core elements that enhance comprehension of GHS pictograms and which are also essential in developing competent persons in the use of SDS are training and education.

Evidence and implications of direct charge excitation as the dominant mechanism in plasmon-mediated photocatalysis

DOE PAGES

Boerigter, Calvin; Campana, Robert; Morabito, Matthew; ...

2016-01-28

Plasmonic metal nanoparticles enhance chemical reactions on their surface when illuminated with light of particular frequencies. It has been shown that these processes are driven by excitation of localized surface plasmon resonance (LSPR). The interaction of LSPR with adsorbate orbitals can lead to the injection of energized charge carriers into the adsorbate, which can result in chemical transformations. The mechanism of the charge injection process (and role of LSPR) is not well understood. Here we shed light on the specifics of this mechanism by coupling optical characterization methods, mainly wavelength-dependent Stokes and anti-Stokes SERS, with kinetic analysis of photocatalytic reactionsmore » in an Ag nanocube–methylene blue plasmonic system. We propose that localized LSPR-induced electric fields result in a direct charge transfer within the molecule–adsorbate system. Lastly, these observations provide a foundation for the development of plasmonic catalysts that can selectively activate targeted chemical bonds, since the mechanism allows for tuning plasmonic nanomaterials in such a way that illumination can selectively enhance desired chemical pathways.« less

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.

EXPLORING ENGINEERING CONTROL THROUGH PROCESS MANIPULATION OF RADIOACTIVE LIQUID WASTE TANK CHEMICAL CLEANING

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

Brown, A.

2014-04-27

One method of remediating legacy liquid radioactive waste produced during the cold war, is aggressive in-tank chemical cleaning. Chemical cleaning has successfully reduced the curie content of residual waste heels in large underground storage tanks; however this process generates significant chemical hazards. Mercury is often the bounding hazard due to its extensive use in the separations process that produced the waste. This paper explores how variations in controllable process factors, tank level and temperature, may be manipulated to reduce the hazard potential related to mercury vapor generation. When compared using a multivariate regression analysis, findings indicated that there was amore » significant relationship between both tank level (p value of 1.65x10{sup -23}) and temperature (p value of 6.39x10{sup -6}) to the mercury vapor concentration in the tank ventilation system. Tank temperature showed the most promise as a controllable parameter for future tank cleaning endeavors. Despite statistically significant relationships, there may not be confidence in the ability to control accident scenarios to below mercury’s IDLH or PAC-III levels for future cleaning initiatives.« less

Challenges and opportunities in synthetic biology for chemical engineers

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

Luo, YZ; Lee, JK; Zhao, HM

Synthetic biology provides numerous great opportunities for chemical engineers in the development of new processes for large-scale production of biofuels, value-added chemicals, and protein therapeutics. However, challenges across all scales abound. In particular, the modularization and standardization of the components in a biological system, so-called biological parts, remain the biggest obstacle in synthetic biology. In this perspective, we will discuss the main challenges and opportunities in the rapidly growing synthetic biology field and the important roles that chemical engineers can play in its advancement. (C) 2012 Elsevier Ltd. All rights reserved.

Challenges and opportunities in synthetic biology for chemical engineers

PubMed Central

Luo, Yunzi; Lee, Jung-Kul; Zhao, Huimin

2012-01-01

Synthetic biology provides numerous great opportunities for chemical engineers in the development of new processes for large-scale production of biofuels, value-added chemicals, and protein therapeutics. However, challenges across all scales abound. In particular, the modularization and standardization of the components in a biological system, so-called biological parts, remain the biggest obstacle in synthetic biology. In this perspective, we will discuss the main challenges and opportunities in the rapidly growing synthetic biology field and the important roles that chemical engineers can play in its advancement. PMID:24222925

Challenges and opportunities in synthetic biology for chemical engineers.

PubMed

Luo, Yunzi; Lee, Jung-Kul; Zhao, Huimin

2013-11-15

Synthetic biology provides numerous great opportunities for chemical engineers in the development of new processes for large-scale production of biofuels, value-added chemicals, and protein therapeutics. However, challenges across all scales abound. In particular, the modularization and standardization of the components in a biological system, so-called biological parts, remain the biggest obstacle in synthetic biology. In this perspective, we will discuss the main challenges and opportunities in the rapidly growing synthetic biology field and the important roles that chemical engineers can play in its advancement.

TOPICAL REVIEW: Monitoring of polymer melt processing

NASA Astrophysics Data System (ADS)

Alig, Ingo; Steinhoff, Bernd; Lellinger, Dirk

2010-06-01

The paper reviews the state-of-the-art of in-line and on-line monitoring during polymer melt processing by compounding, extrusion and injection moulding. Different spectroscopic and scattering techniques as well as conductivity and viscosity measurements are reviewed and compared concerning their potential for different process applications. In addition to information on chemical composition and state of the process, the in situ detection of morphology, which is of specific interest for multiphase polymer systems such as polymer composites and polymer blends, is described in detail. For these systems, the product properties strongly depend on the phase or filler morphology created during processing. Examples for optical (UV/vis, NIR) and ultrasonic attenuation spectra recorded during extrusion are given, which were found to be sensitive to the chemical composition as well as to size and degree of dispersion of micro or nanofillers in the polymer matrix. By small-angle light scattering experiments, process-induced structures were detected in blends of incompatible polymers during compounding. Using conductivity measurements during extrusion, the influence of processing conditions on the electrical conductivity of polymer melts with conductive fillers (carbon black or carbon nanotubes) was monitored.

Fail-safe fire detection system

NASA Technical Reports Server (NTRS)

Bloam, E. T.

1974-01-01

Fire detection control system continually monitors its own integrity, automatically signals any malfunction, and separately signals fire in any zone being monitored. Should be of interest in fields of chemical and petroleum processing, power generation, equipment testing, and building protection.

Reductions in greenhouse gas (GHG) generation and energy consumption in wastewater treatment plants.

PubMed

Yerushalmi, L; Ashrafi, O; Haghighat, F

2013-01-01

Greenhouse gas (GHG) emission and energy consumption by on-site and off-site sources were estimated in two different wastewater treatment plants that used physical-chemical or biological processes for the removal of contaminants, and an anaerobic digester for sludge treatment. Physical-chemical treatment processes were used in the treatment plant of a locomotive repair factory that processed wastewater at 842 kg chemical oxygen demand per day. Approximately 80% of the total GHG emission was related to fossil fuel consumption for energy production. The emission of GHG was reduced by 14.5% with the recovery of biogas that was generated in the anaerobic digester and its further use as an energy source, replacing fossil fuels. The examined biological treatment system used three alternative process designs for the treatment of effluents from pulp and paper mills that processed wastewater at 2,000 kg biochemical oxygen demand per day. The three designs used aerobic, anaerobic, or hybrid aerobic/anaerobic biological processes for the removal of carbonaceous contaminants, and nitrification/denitrification processes for nitrogen removal. Without the recovery and use of biogas, the aerobic, anaerobic, and hybrid treatment systems generated 3,346, 6,554 and 7,056 kg CO(2)-equivalent/day, respectively, while the generated GHG was reduced to 3,152, 6,051, and 6,541 kg CO(2)-equivalent/day with biogas recovery. The recovery and use of biogas was shown to satisfy and exceed the energy needs of the three examined treatment plants. The reduction of operating temperature of the anaerobic digester and anaerobic reactor by 10°C reduced energy demands of the treatment plants by 35.1, 70.6 and 62.9% in the three examined treatment systems, respectively.

Chemical detection system and related methods

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

Caffrey, Augustine J.; Chichester, David L.; Egger, Ann E.

2017-06-27

A chemical detection system includes a frame, an emitter coupled to the frame, and a detector coupled to the frame proximate the emitter. The system also includes a shielding system coupled to the frame and positioned at least partially between the emitter and the detector, wherein the frame positions a sensing surface of the detector in a direction substantially parallel to a plane extending along a front portion of the frame. A method of analyzing composition of a suspect object includes directing neutrons at the object, detecting gamma rays emitted from the object, and communicating spectrometer information regarding the gammamore » rays. The method also includes presenting a GUI to a user with a dynamic status of an ongoing neutron spectroscopy process. The dynamic status includes a present confidence for a plurality of compounds being present in the suspect object responsive to changes in the spectrometer information during the ongoing process.« less

CheNER: a tool for the identification of chemical entities and their classes in biomedical literature.

PubMed

Usié, Anabel; Cruz, Joaquim; Comas, Jorge; Solsona, Francesc; Alves, Rui

2015-01-01

Small chemical molecules regulate biological processes at the molecular level. Those molecules are often involved in causing or treating pathological states. Automatically identifying such molecules in biomedical text is difficult due to both, the diverse morphology of chemical names and the alternative types of nomenclature that are simultaneously used to describe them. To address these issues, the last BioCreAtIvE challenge proposed a CHEMDNER task, which is a Named Entity Recognition (NER) challenge that aims at labelling different types of chemical names in biomedical text. To address this challenge we tested various approaches to recognizing chemical entities in biomedical documents. These approaches range from linear Conditional Random Fields (CRFs) to a combination of CRFs with regular expression and dictionary matching, followed by a post-processing step to tag those chemical names in a corpus of Medline abstracts. We named our best performing systems CheNER. We evaluate the performance of the various approaches using the F-score statistics. Higher F-scores indicate better performance. The highest F-score we obtain in identifying unique chemical entities is 72.88%. The highest F-score we obtain in identifying all chemical entities is 73.07%. We also evaluate the F-Score of combining our system with ChemSpot, and find an increase from 72.88% to 73.83%. CheNER presents a valid alternative for automated annotation of chemical entities in biomedical documents. In addition, CheNER may be used to derive new features to train newer methods for tagging chemical entities. CheNER can be downloaded from http://metres.udl.cat and included in text annotation pipelines.

Fluctuation theorem: A critical review

NASA Astrophysics Data System (ADS)

Malek Mansour, M.; Baras, F.

2017-10-01

Fluctuation theorem for entropy production is revisited in the framework of stochastic processes. The applicability of the fluctuation theorem to physico-chemical systems and the resulting stochastic thermodynamics were analyzed. Some unexpected limitations are highlighted in the context of jump Markov processes. We have shown that these limitations handicap the ability of the resulting stochastic thermodynamics to correctly describe the state of non-equilibrium systems in terms of the thermodynamic properties of individual processes therein. Finally, we considered the case of diffusion processes and proved that the fluctuation theorem for entropy production becomes irrelevant at the stationary state in the case of one variable systems.

Online sensing and control of oil in process wastewater

NASA Astrophysics Data System (ADS)

Khomchenko, Irina B.; Soukhomlinoff, Alexander D.; Mitchell, T. F.; Selenow, Alexander E.

2002-02-01

Industrial processes, which eliminate high concentration of oil in their waste stream, find it extremely difficult to measure and control the water purification process. Most oil separation processes involve chemical separation using highly corrosive caustics, acids, surfactants, and emulsifiers. Included in the output of this chemical treatment process are highly adhesive tar-like globules, emulsified and surface oils, and other emulsified chemicals, in addition to suspended solids. The level of oil/hydrocarbons concentration in the wastewater process may fluctuate from 1 ppm to 10,000 ppm, depending upon the specifications of the industry and level of water quality control. The authors have developed a sensing technology, which provides the accuracy of scatter/absorption sensing in a contactless environment by combining these methodologies with reflective measurement. The sensitivity of the sensor may be modified by changing the fluid level control in the flow cell, allowing for a broad range of accurate measurement from 1 ppm to 10,000 ppm. Because this sensing system has been designed to work in a highly invasive environment, it can be placed close to the process source to allow for accurate real time measurement and control.

New Vistas in Chemical Product and Process Design.

PubMed

Zhang, Lei; Babi, Deenesh K; Gani, Rafiqul

2016-06-07

Design of chemicals-based products is broadly classified into those that are process centered and those that are product centered. In this article, the designs of both classes of products are reviewed from a process systems point of view; developments related to the design of the chemical product, its corresponding process, and its integration are highlighted. Although significant advances have been made in the development of systematic model-based techniques for process design (also for optimization, operation, and control), much work is needed to reach the same level for product design. Timeline diagrams illustrating key contributions in product design, process design, and integrated product-process design are presented. The search for novel, innovative, and sustainable solutions must be matched by consideration of issues related to the multidisciplinary nature of problems, the lack of data needed for model development, solution strategies that incorporate multiscale options, and reliability versus predictive power. The need for an integrated model-experiment-based design approach is discussed together with benefits of employing a systematic computer-aided framework with built-in design templates.

Application of mass spectrometry to process control for polymer material in autoclave curing

NASA Technical Reports Server (NTRS)

Smith, A. C.

1983-01-01

Mass spectrometer analysis of gas samples collected during a cure cycle of polymer materials can be used as a process control technique. This technique is particularly helpful in studying the various types of solvents and resin systems used in the preparation of polymer materials and characterizing the chemical composition of different resin systems and their mechanism of polymerization.

40 CFR Table 1 to Subpart Uuuu of... - Emission Limits and Work Practice Standards

Code of Federal Regulations, 2014 CFR

2014-07-01

... least once per month as specified in § 63.148(f)(2)). 12. heat exchanger system that cools process equipment or materials in the process unit each existing or new affected source monitor and repair the heat exchanger system according to § 63.104(a) through (e), except that references to “chemical manufacturing...

40 CFR Table 1 to Subpart Uuuu of... - Emission Limits and Work Practice Standards

Code of Federal Regulations, 2012 CFR

2012-07-01

... least once per month as specified in § 63.148(f)(2)). 12. heat exchanger system that cools process equipment or materials in the process unit each existing or new affected source monitor and repair the heat exchanger system according to § 63.104(a) through (e), except that references to “chemical manufacturing...

40 CFR Table 1 to Subpart Uuuu of... - Emission Limits and Work Practice Standards

Code of Federal Regulations, 2013 CFR

2013-07-01

... least once per month as specified in § 63.148(f)(2)). 12. heat exchanger system that cools process equipment or materials in the process unit each existing or new affected source monitor and repair the heat exchanger system according to § 63.104(a) through (e), except that references to “chemical manufacturing...

Automatic Processing of Metallurgical Abstracts for the Purpose of Information Retrieval. Final Report.

ERIC Educational Resources Information Center

Melton, Jessica S.

Objectives of this project were to develop and test a method for automatically processing the text of abstracts for a document retrieval system. The test corpus consisted of 768 abstracts from the metallurgical section of Chemical Abstracts (CA). The system, based on a subject indexing rational, had two components: (1) a stored dictionary of words…

40 CFR Table 1 to Subpart Uuuu of... - Emission Limits and Work Practice Standards

Code of Federal Regulations, 2011 CFR

2011-07-01

... least once per month as specified in § 63.148(f)(2)). 12. heat exchanger system that cools process equipment or materials in the process unit each existing or new affected source monitor and repair the heat exchanger system according to § 63.104(a) through (e), except that references to “chemical manufacturing...

Micro-patterning and characterization of PHEMA-co-PAM-based optical chemical sensors for lab-on-a-chip applications.

PubMed

Zhu, Haixin; Zhou, Xianfeng; Su, Fengyu; Tian, Yanqing; Ashili, Shashanka; Holl, Mark R; Meldrum, Deirdre R

2012-10-01

We report a novel method for wafer level, high throughput optical chemical sensor patterning, with precise control of the sensor volume and capability of producing arbitrary microscale patterns. Monomeric oxygen (O(2)) and pH optical probes were polymerized with 2-hydroxyethyl methacrylate (HEMA) and acrylamide (AM) to form spin-coatable and further crosslinkable polymers. A micro-patterning method based on micro-fabrication techniques (photolithography, wet chemical process and reactive ion etch) was developed to miniaturize the sensor film onto glass substrates in arbitrary sizes and shapes. The sensitivity of fabricated micro-patterns was characterized under various oxygen concentrations and pH values. The process for spatially integration of two sensors (Oxygen and pH) on the same substrate surface was also developed, and preliminary fabrication and characterization results were presented. To the best of our knowledge, it is the first time that poly (2-hydroxylethyl methacrylate)-co-poly (acrylamide) (PHEMA-co-PAM)-based sensors had been patterned and integrated at the wafer level with micron scale precision control using microfabrication techniques. The developed methods can provide a feasible way to miniaturize and integrate the optical chemical sensor system and can be applied to any lab-on-a-chip system, especially the biological micro-systems requiring optical sensing of single or multiple analytes.

A dual-plate ITO-ITO generator-collector microtrench sensor: surface activation, spatial separation and suppression of irreversible oxygen and ascorbate interference.

PubMed

Hasnat, Mohammad A; Gross, Andrew J; Dale, Sara E C; Barnes, Edward O; Compton, Richard G; Marken, Frank

2014-02-07

Generator-collector electrode systems are based on two independent working electrodes with overlapping diffusion fields where chemically reversible redox processes (oxidation and reduction) are coupled to give amplified current signals. A generator-collector trench electrode system prepared from two tin-doped indium oxide (ITO) electrodes placed vis-à-vis with a 22 μm inter-electrode gap is employed here as a sensor in aqueous media. The reversible 2-electron anthraquinone-2-sulfonate redox system is demonstrated to give well-defined collector responses even in the presence of oxygen due to the irreversible nature of the oxygen reduction. For the oxidation of dopamine on ITO, novel "Piranha-activation" effects are observed and chemically reversible generator-collector feedback conditions are achieved at pH 7, by selecting a more negative collector potential, again eliminating possible oxygen interference. Finally, dopamine oxidation in the presence of ascorbate is demonstrated with the irreversible oxidation of ascorbate at the "mouth" of the trench electrode and chemically reversible oxidation of dopamine in the trench "interior". This spatial separation of chemically reversible and irreversible processes within and outside the trench is discussed as a potential in situ microscale sensing and separation tool.

Development of the CROW{trademark} process

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

Johnson, L.A. Jr.

1994-05-01

The Contained Recovery of Oily Waste (CROW{trademark}) technology has been successfully tested in the laboratory and presently is being implemented at field sites contaminated with wood treating wastes and byproducts of town gas production. These field demonstrations will utilize only hot-water displacement without any chemical additives because the use of chemicals to enhance the hot-water flushing process has only been tested on a preliminary basis. Preliminary testing has shown that low concentrations of chemicals could reduce the contaminant content by an additional 10 to 20 wt %. Western Research Institute (WRI) research, plus research at Carnegie Mellon University, on surfactantmore » enhancement of solubility of polynuclear aromatic hydrocarbons in water and water-soil systems indicate the potential of chemical enhancement of the CROW process. Chemicals that have been tested and that were used in these tests are totally biodegradable. The objective of this task was to obtain sufficient baseline data to show the effectiveness and environmentally safe use of chemicals, primarily surfactants, to enhance the CROW process. To meet this objective, 14 one-dimensional displacement tests were conducted. Eleven tests were conducted on a material from a former manufactured gas plant (MGP) site and four tests were conducted with a contaminated soil from a former wood treatment facility. The tests investigated the effect of three chemical concentrations (0, 0.5, and 1.0 vol %) at three temperatures (ambient, the projected optimum temperature, and one 40{degree}F [22{degree}C] below the optimum temperature).« less

Light-driven production of ATP catalysed by F0F1-ATP synthase in an artificial photosynthetic membrane

NASA Astrophysics Data System (ADS)

Steinberg-Yfrach, Gali; Rigaud, Jean-Louis; Durantini, Edgardo N.; Moore, Ana L.; Gust, Devens; Moore, Thomas A.

1998-04-01

Energy-transducing membranes of living organisms couple spontaneous to non-spontaneous processes through the intermediacy of protonmotive force (p.m.f.) - an imbalance in electrochemical potential of protons across the membrane. In most organisms, p.m.f. is generated by redox reactions that are either photochemically driven, such as those in photosynthetic reaction centres, or intrinsically spontaneous, such as those of oxidative phosphorylation in mitochondria. Transmembrane proteins (such as the cytochromes and complexes I, III and IV in the electron-transport chain in the inner mitochondrial membrane) couple the redox reactions to proton translocation, thereby conserving a fraction of the redox chemical potential as p.m.f. Many transducer proteins couple p.m.f. to the performance of biochemical work, such as biochemical synthesis and mechanical and transport processes. Recently, an artificial photosynthetic membrane was reported in which a photocyclic process was used to transport protons across a liposomal membrane, resulting in acidification of the liposome's internal volume. If significant p.m.f. is generated in this system, then incorporating an appropriate transducer into the liposomal bilayer should make it possible to drive a non-spontaneous chemical process. Here we report the incorporation of FOF1-ATP synthase into liposomes containing the components of the proton-pumping photocycle. Irradiation of this artificial membrane with visible light results in the uncoupler- and inhibitor-sensitive synthesis of adenosine triphosphate (ATP) against an ATP chemical potential of ~12kcalmol-1, with a quantum yield of more than 7%. This system mimics the process by which photosynthetic bacteria convert light energy into ATP chemical potential.

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

Ferrada, J.J.; Osborne-Lee, I.W.; Grizzaffi, P.A.

Expert systems are known to be useful in capturing expertise and applying knowledge to chemical engineering problems such as diagnosis, process control, process simulation, and process advisory. However, expert system applications are traditionally limited to knowledge domains that are heuristic and involve only simple mathematics. Neural networks, on the other hand, represent an emerging technology capable of rapid recognition of patterned behavior without regard to mathematical complexity. Although useful in problem identification, neural networks are not very efficient in providing in-depth solutions and typically do not promote full understanding of the problem or the reasoning behind its solutions. Hence, applicationsmore » of neural networks have certain limitations. This paper explores the potential for expanding the scope of chemical engineering areas where neural networks might be utilized by incorporating expert systems and neural networks into the same application, a process called hybridization. In addition, hybrid applications are compared with those using more traditional approaches, the results of the different applications are analyzed, and the feasibility of converting the preliminary prototypes described herein into useful final products is evaluated. 12 refs., 8 figs.« less

40 CFR 63.984 - Fuel gas systems and processes to which storage vessel, transfer rack, or equipment leak...

Code of Federal Regulations, 2010 CFR

2010-07-01

... function in that process; (ii) Transformed by chemical reaction into materials that are not regulated... evaluation (or engineering assessment) that demonstrates the extent to which one or more of the conditions...

40 CFR 63.984 - Fuel gas systems and processes to which storage vessel, transfer rack, or equipment leak...

Code of Federal Regulations, 2011 CFR

2011-07-01

... function in that process; (ii) Transformed by chemical reaction into materials that are not regulated... evaluation (or engineering assessment) that demonstrates the extent to which one or more of the conditions...

Process for improving moisture resistance of epoxy resins by addition of chromium ions

NASA Technical Reports Server (NTRS)

St.clair, A. K.; Stoakley, D. M.; St.clair, T. L.; Singh, J. J. (Inventor)

1985-01-01

A process for improving the moisture resistance properties of epoxidized TGMDA and DGEBA resin system by chemically incorporating chromium ions is described. The addition of chromium ions is believed to prevent the absorption of water molecules.

Life-Game, with Glass Beads and Molecules, on the Principles of the Origin of Life

ERIC Educational Resources Information Center

Eigen, Manfred; Haglund, Herman

1976-01-01

Discusses a theoretical model that uses a game as a base for studying processes of a stochastic nature, which involve chemical reactions, molecular systems, biological processes, cells, or people in a population. (MLH)

Photobioreactor cultivation strategies for microalgae and cyanobacteria.

PubMed

Johnson, Tylor J; Katuwal, Sarmila; Anderson, Gary A; Gu, Liping; Zhou, Ruanbao; Gibbons, William R

2018-03-08

The current burden on fossil-derived chemicals and fuels combined with the rapidly increasing global population has led to a crucial need to develop renewable and sustainable sources of chemicals and biofuels. Photoautotrophic microorganisms, including cyanobacteria and microalgae, have garnered a great deal of attention for their capability to produce these chemicals from carbon dioxide, mineralized water, and solar energy. While there have been substantial amounts of research directed at scaling-up production from these microorganisms, several factors have proven difficult to overcome, including high costs associated with cultivation, photobioreactor construction, and artificial lighting. Decreasing these costs will substantially increase the economic feasibility of these production processes. Thus, the purpose of this review is to describe various photobioreactor designs, and then provide an overview on lighting systems, mixing, gas transfer, and the hydrodynamics of bubbles. These factors must be considered when the goal of a production process is economic feasibility. Targets for improving microalgae and cyanobacteria cultivation media, including water reduction strategies will also be described. As fossil fuel reserves continue to be depleted and the world population continues to increase, it is imperative that renewable chemical and biofuel production processes be developed toward becoming economically feasible. Thus, it is essential that future research is directed toward improving these processes. © 2018 American Institute of Chemical Engineers Biotechnol. Prog., 2018. © 2018 American Institute of Chemical Engineers.

CFD studies on biomass thermochemical conversion.

PubMed

Wang, Yiqun; Yan, Lifeng

2008-06-01

Thermochemical conversion of biomass offers an efficient and economically process to provide gaseous, liquid and solid fuels and prepare chemicals derived from biomass. Computational fluid dynamic (CFD) modeling applications on biomass thermochemical processes help to optimize the design and operation of thermochemical reactors. Recent progression in numerical techniques and computing efficacy has advanced CFD as a widely used approach to provide efficient design solutions in industry. This paper introduces the fundamentals involved in developing a CFD solution. Mathematical equations governing the fluid flow, heat and mass transfer and chemical reactions in thermochemical systems are described and sub-models for individual processes are presented. It provides a review of various applications of CFD in the biomass thermochemical process field.

CFD Studies on Biomass Thermochemical Conversion

PubMed Central

Wang, Yiqun; Yan, Lifeng

2008-01-01

Thermochemical conversion of biomass offers an efficient and economically process to provide gaseous, liquid and solid fuels and prepare chemicals derived from biomass. Computational fluid dynamic (CFD) modeling applications on biomass thermochemical processes help to optimize the design and operation of thermochemical reactors. Recent progression in numerical techniques and computing efficacy has advanced CFD as a widely used approach to provide efficient design solutions in industry. This paper introduces the fundamentals involved in developing a CFD solution. Mathematical equations governing the fluid flow, heat and mass transfer and chemical reactions in thermochemical systems are described and sub-models for individual processes are presented. It provides a review of various applications of CFD in the biomass thermochemical process field. PMID:19325848

Economic-Oriented Stochastic Optimization in Advanced Process Control of Chemical Processes

PubMed Central

Dobos, László; Király, András; Abonyi, János

2012-01-01

Finding the optimal operating region of chemical processes is an inevitable step toward improving economic performance. Usually the optimal operating region is situated close to process constraints related to product quality or process safety requirements. Higher profit can be realized only by assuring a relatively low frequency of violation of these constraints. A multilevel stochastic optimization framework is proposed to determine the optimal setpoint values of control loops with respect to predetermined risk levels, uncertainties, and costs of violation of process constraints. The proposed framework is realized as direct search-type optimization of Monte-Carlo simulation of the controlled process. The concept is illustrated throughout by a well-known benchmark problem related to the control of a linear dynamical system and the model predictive control of a more complex nonlinear polymerization process. PMID:23213298

Fuzzy control for a nonlinear mimo-liquid level problem

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

Smith, R. E.; Mortensen, F. N.; Wantuck, P. J.

2001-01-01

Nonlinear systems are very common in the chemical process industries. Control of these systems, particularly multivariable systems, is extremely difficult. In many chemical plants, because of this difficulty, control is seldom optimal. Quite often, the best control is obtained in the manual mode using experienced operators. Liquid level control is probably one of the most common control problems in a chemical plant. Liquid level is important in heat exchanger control where heat and mass transfer rates can be controlled by the amount of liquid covering the tubes. Distillation columns, mixing tanks, and surge tanks are other examples where liquid levelmore » control is very important. The problem discussed in this paper is based on the simultaneous level control of three tanks connected in series. Each tank holds slightly less than 0.01 m{sup 3} of liquid. All three tanks are connected, Liquid is pumped into the first and the third tanks to maintain their levels. The third tank in the series drains to the system exit. The levels in the first and third tank control the level in the middle tank. The level in the middle tank affects the levels in the two end tanks. Many other chemical plant systems can be controlled in a manner similar to this three-tank system. For example, in any distillation column liquid level control problems can be represented as a total condenser with liquid level control, a reboiler with liquid level control, with the interactive column in between. The solution to the three-tank-problem can provide insight into many of the nonlinear control problems in the chemical process industries. The system was tested using the fuzzy logic controller and a proportional-integral (PI) controller, in both the setpoint tracking mode and disturbance rejection mode. The experimental results are discussed and comparisons between fuzzy controller and the standard PI controller are made.« less

Method for controlling clathrate hydrates in fluid systems

DOEpatents

Sloan, Jr., Earle D.

1995-01-01

Discussed is a process for preventing clathrate hydrate masses from impeding the flow of fluid in a fluid system. An additive is contacted with clathrate hydrate masses in the system to prevent those clathrate hydrate masses from impeding fluid flow. The process is particularly useful in the natural gas and petroleum production, transportation and processing industry where gas hydrate formation can cause serious problems. Additives preferably contain one or more five member and/or six member cyclic chemical groupings. Additives include poly(N-vinyl-2-pyrrolidone) and hydroxyethylcellulose, either in combination or alone.

Mass Separation by Metamaterials

PubMed Central

Restrepo-Flórez, Juan Manuel; Maldovan, Martin

2016-01-01

Being able to manipulate mass flow is critically important in a variety of physical processes in chemical and biomolecular science. For example, separation and catalytic systems, which requires precise control of mass diffusion, are crucial in the manufacturing of chemicals, crystal growth of semiconductors, waste recovery of biological solutes or chemicals, and production of artificial kidneys. Coordinate transformations and metamaterials are powerful methods to achieve precise manipulation of molecular diffusion. Here, we introduce a novel approach to obtain mass separation based on metamaterials that can sort chemical and biomolecular species by cloaking one compound while concentrating the other. A design strategy to realize such metamaterial using homogeneous isotropic materials is proposed. We present a practical case where a mixture of oxygen and nitrogen is manipulated using a metamaterial that cloaks nitrogen and concentrates oxygen. This work lays the foundation for molecular mass separation in biophysical and chemical systems through metamaterial devices. PMID:26912419

Chemical Interactions and Their Role in the Microphase Separation of Block Copolymer Thin Films

PubMed Central

Farrell, Richard A.; Fitzgerald, Thomas G.; Borah, Dipu; Holmes, Justin D.; Morris, Michael A.

2009-01-01

The thermodynamics of self-assembling systems are discussed in terms of the chemical interactions and the intermolecular forces between species. It is clear that there are both theoretical and practical limitations on the dimensions and the structural regularity of these systems. These considerations are made with reference to the microphase separation that occurs in block copolymer (BCP) systems. BCP systems self-assemble via a thermodynamic driven process where chemical dis-affinity between the blocks driving them part is balanced by a restorative force deriving from the chemical bond between the blocks. These systems are attracting much interest because of their possible role in nanoelectronic fabrication. This form of self-assembly can obtain highly regular nanopatterns in certain circumstances where the orientation and alignment of chemically distinct blocks can be guided through molecular interactions between the polymer and the surrounding interfaces. However, for this to be possible, great care must be taken to properly engineer the interactions between the surfaces and the polymer blocks. The optimum methods of structure directing are chemical pre-patterning (defining regions on the substrate of different chemistry) and graphoepitaxy (topographical alignment) but both centre on generating alignment through favourable chemical interactions. As in all self-assembling systems, the problems of defect formation must be considered and the origin of defects in these systems is explored. It is argued that in these nanostructures equilibrium defects are relatively few and largely originate from kinetic effects arising during film growth. Many defects also arise from the confinement of the systems when they are ‘directed’ by topography. The potential applications of these materials in electronics are discussed. PMID:19865513

On eco-efficient technologies to minimize industrial water consumption

NASA Astrophysics Data System (ADS)

Amiri, Mohammad C.; Mohammadifard, Hossein; Ghaffari, Ghasem

2016-07-01

Purpose - Water scarcity will further stress on available water systems and decrease the security of water in many areas. Therefore, innovative methods to minimize industrial water usage and waste production are of paramount importance in the process of extending fresh water resources and happen to be the main life support systems in many arid regions of the world. This paper demonstrates that there are good opportunities for many industries to save water and decrease waste water in softening process by substituting traditional with echo-friendly methods. The patented puffing method is an eco-efficient and viable technology for water saving and waste reduction in lime softening process. Design/methodology/approach - Lime softening process (LSP) is a very sensitive process to chemical reactions. In addition, optimal monitoring not only results in minimizing sludge that must be disposed of but also it reduces the operating costs of water conditioning. Weakness of the current (regular) control of LSP based on chemical analysis has been demonstrated experimentally and compared with the eco-efficient puffing method. Findings - This paper demonstrates that there is a good opportunity for many industries to save water and decrease waste water in softening process by substituting traditional method with puffing method, a patented eco-efficient technology. Originality/value - Details of the required innovative works to minimize industrial water usage and waste production are outlined in this paper. Employing the novel puffing method for monitoring of lime softening process results in saving a considerable amount of water while reducing chemical sludge.

Continuous variables logic via coupled automata using a DNAzyme cascade with feedback.

PubMed

Lilienthal, S; Klein, M; Orbach, R; Willner, I; Remacle, F; Levine, R D

2017-03-01

The concentration of molecules can be changed by chemical reactions and thereby offer a continuous readout. Yet computer architecture is cast in textbooks in terms of binary valued, Boolean variables. To enable reactive chemical systems to compute we show how, using the Cox interpretation of probability theory, one can transcribe the equations of chemical kinetics as a sequence of coupled logic gates operating on continuous variables. It is discussed how the distinct chemical identity of a molecule allows us to create a common language for chemical kinetics and Boolean logic. Specifically, the logic AND operation is shown to be equivalent to a bimolecular process. The logic XOR operation represents chemical processes that take place concurrently. The values of the rate constants enter the logic scheme as inputs. By designing a reaction scheme with a feedback we endow the logic gates with a built in memory because their output then depends on the input and also on the present state of the system. Technically such a logic machine is an automaton. We report an experimental realization of three such coupled automata using a DNAzyme multilayer signaling cascade. A simple model verifies analytically that our experimental scheme provides an integrator generating a power series that is third order in time. The model identifies two parameters that govern the kinetics and shows how the initial concentrations of the substrates are the coefficients in the power series.

Backflushing system rapidly cleans fluid filters

NASA Technical Reports Server (NTRS)

Descamp, V. A.; Boex, M. W.; Hussey, M. W.; Larson, T. P.

1973-01-01

Self contained unit can backflush filter elements in fraction of the time expended by presently used equipment. This innovation may be of interest to manufacturers of hydraulic and pneumatic systems as well as to chemical, food, processing, and filter manufacturing industries.

Relative humidity from psychrometric data

NASA Technical Reports Server (NTRS)

Putnam, T. W.

1976-01-01

Analytical equation for computing relative humidity as function of wet bulb temperature, dry bulb temperature, and atmospheric pressure is suitable for use with calculator or computer. Analytical expressions may be useful for chemical process control systems and building environmental control systems.

A Reflection on the Fate of Chiral 1,2,4-Triazole Fungicides in Biological Systems

EPA Science Inventory

In biological systems, stereoisomers of chiral compounds can exhibit significantly different pharmacokinetics (absorption, distribution, metabolism, and elimination) and pharmacodynamics (physiological effects). Pharmacokinetic processes (i.e., what the body does to the chemical)...

Coupled Phases and Combinatorial Selection in Fluctuating Hydrothermal Pools: A Scenario to Guide Experimental Approaches to the Origin of Cellular Life

PubMed Central

Damer, Bruce; Deamer, David

2015-01-01

Hydrothermal fields on the prebiotic Earth are candidate environments for biogenesis. We propose a model in which molecular systems driven by cycles of hydration and dehydration in such sites undergo chemical evolution in dehydrated films on mineral surfaces followed by encapsulation and combinatorial selection in a hydrated bulk phase. The dehydrated phase can consist of concentrated eutectic mixtures or multilamellar liquid crystalline matrices. Both conditions organize and concentrate potential monomers and thereby promote polymerization reactions that are driven by reduced water activity in the dehydrated phase. In the case of multilamellar lipid matrices, polymers that have been synthesized are captured in lipid vesicles upon rehydration to produce a variety of molecular systems. Each vesicle represents a protocell, an “experiment” in a natural version of combinatorial chemistry. Two kinds of selective processes can then occur. The first is a physical process in which relatively stable molecular systems will be preferentially selected. The second is a chemical process in which rare combinations of encapsulated polymers form systems capable of capturing energy and nutrients to undergo growth by catalyzed polymerization. Given continued cycling over extended time spans, such combinatorial processes will give rise to molecular systems having the fundamental properties of life. PMID:25780958

Measurement and Modeling of Electromagnetic Scattering by Particles and Particle Groups. Chapter 3

NASA Technical Reports Server (NTRS)

Mishchenko, Michael I.

2015-01-01

Small particles forming clouds of interstellar and circumstellar dust, regolith surfaces of many solar system bodies, and cometary atmospheres have a strong and often controlling effect on many ambient physical and chemical processes. Similarly, aerosol and cloud particles exert a strong influence on the regional and global climates of the Earth, other planets of the solar system, and exoplanets. Therefore, detailed and accurate knowledge of physical and chemical characteristics of such particles has the utmost scientific importance.

Modeling the Removal of Xenon from Lithium Hydrate with Aspen HYSYS

NASA Astrophysics Data System (ADS)

Efthimion, Phillip; Gentile, Charles

2011-10-01

The Laser Inertial Fusion Engine (LIFE) project mission is to provide a long-term, carbon-free source of sustainable energy, in the form of electricity. A conceptual xenon removal system has been modeled with the aid of Aspen HYSYS, a chemical process simulator. Aspen HYSYS provides excellent capability to model chemical flow processes, which generates outputs which includes specific variables such as temperature, pressure, and molar flow. The system is designed to strip out hydrogen isotopes deuterium and tritium. The base design bubbles plasma exhaust laden with x filled with liquid helium. The system separates the xenon from the hydrogen, deuterium, and tritium with a lithium hydrate and a lithium bubbler. After the removal of the hydrogen and its isotopes, the xenon is then purified by way of the process of cryogenic distillation. The pure hydrogen, deuterium, and tritium are then sent to the isotope separation system (ISS). The removal of xenon is an integral part of the laser inertial fusion engine and Aspen HYSYS is an excellent tool to calculate how to create pure xenon.

Microwave treatment of dairy manure for resource recovery: Reaction kinetics and energy analysis.

PubMed

Srinivasan, Asha; Liao, Ping H; Lo, Kwang V

2016-12-01

A newly designed continuous-flow 915 MHz microwave wastewater treatment system was used to demonstrate the effectiveness of the microwave enhanced advanced oxidation process (MW/H 2 O 2 -AOP) for treating dairy manure. After the treatment, about 84% of total phosphorus and 45% of total chemical oxygen demand were solubilized with the highest H 2 O 2 dosage (0.4% H 2 O 2 per %TS). The reaction kinetics of soluble chemical oxygen demand revealed activation energy to be in the range of 5-22 kJ mole -1 . The energy required by the processes was approximately 0.16 kWh per liter of dairy manure heated. A higher H 2 O 2 dosage used in the system had a better process performance in terms of solids solubilization, reaction kinetics, and energy consumption. Cost-benefit analysis for a farm-scale MW/H 2 O 2 -AOP treatment system was also presented. The results obtained from this study would provide the basic knowledge for designing an effective farm-scale dairy manure treatment system.

Intelligent process control of fiber chemical vapor deposition

NASA Astrophysics Data System (ADS)

Jones, John Gregory

Chemical Vapor Deposition (CVD) is a widely used process for the application of thin films. In this case, CVD is being used to apply a thin film interface coating to single crystal monofilament sapphire (Alsb2Osb3) fibers for use in Ceramic Matrix Composites (CMC's). The hot-wall reactor operates at near atmospheric pressure which is maintained using a venturi pump system. Inert gas seals obviate the need for a sealed system. A liquid precursor delivery system has been implemented to provide precise stoichiometry control. Neural networks have been implemented to create real-time process description models trained using data generated based on a Navier-Stokes finite difference model of the process. Automation of the process to include full computer control and data logging capability is also presented. In situ sensors including a quadrupole mass spectrometer, thermocouples, laser scanner, and Raman spectrometer have been implemented to determine the gas phase reactants and coating quality. A fuzzy logic controller has been developed to regulate either the gas phase or the in situ temperature of the reactor using oxygen flow rate as an actuator. Scanning electron microscope (SEM) images of various samples are shown. A hierarchical control structure upon which the control structure is based is also presented.

Nucleation, Growth, Annealing, and Coagulation of Refractory Oxides and Metals: Recent Experimental Progress and Applications to Astrophysical Systems

NASA Technical Reports Server (NTRS)

Nuth, J. A.; Rietmeijer, F. J. M.; Hallenbeck, S. L.; Withey, P. A.

1999-01-01

Starting with cooling, refractory vapors diluted in significant quantities of H and He there are four processes that most natural systems will undergo: nucleation, growth, annealing, and coagulation. Nucleation is the processes by which the first stable refractory nuclei form in the vapor. These are the seeds onto which the remaining vapors will condense during the growth stage. Solids of any composition will try to arrange themselves into the least energetic configuration, provided that there is sufficient energy available to support such processes as diffusion and the breaking of chemical bonds. There is a significant activation energy associated with the annealing process in refractory solids due to the relatively high energy of the chemical bonds in solids. The grains formed in most cosmochemical systems are extremely small and often tightly coupled to the gas. Because of their small physical cross sections coagulation may be a very slow process unless there is another driving force involved in addition to normal Brownian motion. In what follows we will briefly cover each of these four stages for refractory oxide and metal grains, although in inverse order.

Kinetic calorimetry in the study of the mechanism of low-temperature chemical reactions

NASA Astrophysics Data System (ADS)

Barkalov, I. M.; Kiryukhin, D. P.

Chemical reactions are always followed by a change in the reacting system enthalpy, hence, calorimetry as a method of enthalpy and heat capacity measuring is a universal and, sometimes, even the only possible way of studying chemical reaction kinetics. Throughout its long history, the calorimeter, having preserved the positions of the main method of thermodynamic studies, has conquered a new field of application: that of kinetic study of chemical reactions. The advantages and disadvantages of the kinetic calorimeter are now obvious. First, the advantages are: (1) the possibility of measuring the rate of a chemical reaction without any special requirements being imposed on the reaction medium (solid, viscous, multicomponent systems); (2) the high efficiency: a large volume of kinetic information in one experiment and a non-destructive character of changes; (3) the possibility of measuring directly in the field of ionizing radiation (γ-radiation, accelerated electrons) and light; and (4) recording of the chemical conversion directly at the time of its occurrence. The disadvantages of this method are: (1) the high inertia of standard calorimeter systems (τC⋍102-103S), which restricts the possibilities of studying fast processes; and (2) the complexity of the correct organization of the calorimeter experiment when the parameters of the process are changed (overheating in the sample, conversion of the process to explosive and auto wave regimens). One of the oldest and most universal methods of studying the mechanism of chemical reactions, calorimetry, is now passing through a period of turbulent development due to the advances in electronics and computerization. The wide variety of types of calorimeter set-ups and the large assortment of measurement schemes in the currently described methods complicate the experimental selection of the necessary instrument rather than facilitate it. The basic principles of the method, the types of calorimeters, and the measuring schemes are described [1-5]. However, despite the high working characteristics of modern calorimeters (Perkin-Elmer, Du Pont, LKB, etc.), all of them have one principal disadvantage: a cell with a sample is placed in them at room temperature. In cryochemical investigation, when the sample has metastable formations, the loading is made `from nitrogen to nitrogen', i.e. the sample prepared at 77 K should be loaded into a calorimeter at 77 K. Besides, the existing installations do not allow measurements at the temperatures <110K. For this reason, the Laboratory of Cryochemistry and Radiation Chemistry at the Institute of Chemical Physics in Chernogolovka has created original calorimetric techniques which allow: (1) the carrying out phase analysis and the determination of the main thermodynamic characteristic of individual substances and complicated systems in the temperature range 5 300 K. Sample loading can be conducted at 77 K that allows us to study the systems containing: tetrafiuoroethylene, hexafluoropropylene, ethylene, carbon monoxide, nitrogen, methane, hydrogen, oxygen, ozone, formaldehyde and many other gaseous substances; (2) the study of the dynamics of chemical reactions and to measure the main kinetic parameters of the processes-the elementary rate constants and the activation energies. The experiment can be conducted both under direct action of radiation and UV light and in the post-effect mode [5,6].

Implementation of an online chemical mechanism within a global-regional atmospheric model: design and initial steps

NASA Astrophysics Data System (ADS)

Jorba, O.; Pérez, C.; Baldasano, J. M.

2009-04-01

Chemical processes in air quality modelling systems are usually treated independently from the meteorological models. This approach is computationally attractive since off-line chemical transport simulations only require a single meteorological dataset to produce many chemical simulations. However, this separation of chemistry and meteorology produces a loss of important information about atmospheric processes and does not allow for feedbacks between chemistry and meteorology. To take into account such processes current models are evolving to an online coupling of chemistry and meteorology to produce consistent chemical weather predictions. The Earth Sciences Department of the Barcelona Supercomputing Center (BSC) develops the NMMB/BSC-DUST (Pérez et al., 2008), an online dust model within the global-regional NCEP/NMMB numerical weather prediction model (Janjic and Black, 2007) under development at National Centers for Environmental Prediction (NCEP). Current implementation is based on the well established regional dust model and forecast system DREAM (Nickovic et al., 2001). The most relevant characteristics of NMMB/BSC-DUST are its on-line coupling of the dust scheme with the meteorological driver, the wide range of applications from meso to global scales, and the inclusion of dust radiative effects allowing feedbacks between aerosols and meteorology. In order to complement such development, BSC works also in the implementation of a fully coupled online chemical mechanism within NMMB/BSC-DUST. The final objective is to develop a fully chemical weather prediction system able to resolve gas-aerosol-meteorology interactions from global to local scales. In this contribution we will present the design of the chemistry coupling and the current progress of its implementation. Following the NCEP/NMMB approach, the chemistry part will be coupled through the Earth System Modeling Framework (ESMF) as a pluggable component. The chemical mechanism and chemistry solver is based on the Kinetic PreProcessor KPP (Sandu and Sander, 2006) package with the main purpose to maintain a wide flexibility when configuring the model. Such approach will allow using a simple general chemical mechanism for global applications or a more complex mechanism for regional to local applications at higher resolution. REFERENCES Janjic, Z.I., and Black, T.L., 2007. An ESMF unified model for a broad range of spatial and temporal scales, Geophysical Research Abstracts, 9, 05025. Nickovic, S., Papadopoulos, A., Kakaliagou, O., and Kallos, G., 2001. Model for prediciton of desert dust cycle in the atmosphere. J. Geophys. Res., 106, 18113-18129. Pérez, C., Haustein, K., Janjic, Z.I., Jorba, O., Baldasano, J.M., Black, T.L., and Nickovic, S., 2008. An online dust model within the meso to global NMMB: current progress and plans. AGU Fall Meeting, San Francisco, A41K-03, 2008. Sandu, A., and Sander, R., 2006. Technical note:Simulating chemical systems in Fortran90 and Matlab with the Kinetic PreProcessor KPP-2.1. Atmos. Chem. and Phys., 6, 187-195.

Chemical roots of biological evolution: the origins of life as a process of development of autonomous functional systems

PubMed Central

Ruiz-Mirazo, Kepa; Briones, Carlos

2017-01-01

In recent years, an extension of the Darwinian framework is being considered for the study of prebiotic chemical evolution, shifting the attention from homogeneous populations of naked molecular species to populations of heterogeneous, compartmentalized and functionally integrated assemblies of molecules. Several implications of this shift of perspective are analysed in this critical review, both in terms of the individual units, which require an adequate characterization as self-maintaining systems with an internal organization, and also in relation to their collective and long-term evolutionary dynamics, based on competition, collaboration and selection processes among those complex individuals. On these lines, a concrete proposal for the set of molecular control mechanisms that must be coupled to bring about autonomous functional systems, at the interface between chemistry and biology, is provided. PMID:28446711

Chemical roots of biological evolution: the origins of life as a process of development of autonomous functional systems.

PubMed

Ruiz-Mirazo, Kepa; Briones, Carlos; de la Escosura, Andrés

2017-04-01

In recent years, an extension of the Darwinian framework is being considered for the study of prebiotic chemical evolution, shifting the attention from homogeneous populations of naked molecular species to populations of heterogeneous, compartmentalized and functionally integrated assemblies of molecules. Several implications of this shift of perspective are analysed in this critical review, both in terms of the individual units, which require an adequate characterization as self-maintaining systems with an internal organization, and also in relation to their collective and long-term evolutionary dynamics, based on competition, collaboration and selection processes among those complex individuals. On these lines, a concrete proposal for the set of molecular control mechanisms that must be coupled to bring about autonomous functional systems, at the interface between chemistry and biology, is provided. © 2017 The Authors.

Systems Toxicology: The Future of Risk Assessment.

PubMed

Sauer, John Michael; Hartung, Thomas; Leist, Marcel; Knudsen, Thomas B; Hoeng, Julia; Hayes, A Wallace

2015-01-01

Risk assessment, in the context of public health, is the process of quantifying the probability of a harmful effect to individuals or populations from human activities. With increasing public health concern regarding the potential risks associated with chemical exposure, there is a need for more predictive and accurate approaches to risk assessment. Developing such an approach requires a mechanistic understanding of the process by which xenobiotic substances perturb biological systems and lead to toxicity. Supplementing the shortfalls of traditional risk assessment with mechanistic biological data has been widely discussed but not routinely implemented in the evaluation of chemical exposure. These mechanistic approaches to risk assessment have been generally referred to as systems toxicology. This Symposium Overview article summarizes 4 talks presented at the 35th Annual Meeting of the American College of Toxicology. © The Author(s) 2015.

Chemical genomics in plant biology.

PubMed

Sadhukhan, Ayan; Sahoo, Lingaraj; Panda, Sanjib Kumar

2012-06-01

Chemical genomics is a newly emerged and rapidly progressing field in biology, where small chemical molecules bind specifically and reversibly to protein(s) to modulate their function(s), leading to the delineation and subsequent unravelling of biological processes. This approach overcomes problems like lethality and redundancy of classical genetics. Armed with the powerful techniques of combinatorial synthesis, high-throughput screening and target discovery chemical genomics expands its scope to diverse areas in biology. The well-established genetic system of Arabidopsis model allows chemical genomics to enter into the realm of plant biology exploring signaling pathways of growth regulators, endomembrane signaling cascades, plant defense mechanisms and many more events.

40 CFR 63.2485 - What requirements must I meet for wastewater streams and liquid streams in open systems within an...

Code of Federal Regulations, 2010 CFR

2010-07-01

... Pollutants: Miscellaneous Organic Chemical Manufacturing Emission Limits, Work Practice Standards, and... be if the contents of the wastewater tank were not heated, treated by an exothermic reaction, or... uses the term “chemical manufacturing process unit,” the term “MCPU” applies for the purposes of this...

Basic Research Needs for Electrical Energy Storage. Report of the Basic Energy Sciences Workshop on Electrical Energy Storage, April 2-4, 2007

DOE R&D Accomplishments Database

Goodenough, J. B.; Abruna, H. D.; Buchanan, M. V.

2007-04-04

To identify research areas in geosciences, such as behavior of multiphase fluid-solid systems on a variety of scales, chemical migration processes in geologic media, characterization of geologic systems, and modeling and simulation of geologic systems, needed for improved energy systems.

Combined hydrothermal liquefaction and catalytic hydrothermal gasification system and process for conversion of biomass feedstocks

DOEpatents

Elliott, Douglas C.; Neuenschwander, Gary G.; Hart, Todd R.

2017-09-12

A combined hydrothermal liquefaction (HTL) and catalytic hydrothermal gasification (CHG) system and process are described that convert various biomass-containing sources into separable bio-oils and aqueous effluents that contain residual organics. Bio-oils may be converted to useful bio-based fuels and other chemical feedstocks. Residual organics in HTL aqueous effluents may be gasified and converted into medium-BTU product gases and directly used for process heating or to provide energy.

Free Radicals in Chemical Biology: from Chemical Behavior to Biomarker Development

PubMed Central

Chatgilialoglu, Chryssostomos; Ferreri, Carla; Masi, Annalisa; Melchiorre, Michele; Sansone, Anna; Terzidis, Michael A.; Torreggiani, Armida

2013-01-01

The involvement of free radicals in life sciences has constantly increased with time and has been connected to several physiological and pathological processes. This subject embraces diverse scientific areas, spanning from physical, biological and bioorganic chemistry to biology and medicine, with applications to the amelioration of quality of life, health and aging. Multidisciplinary skills are required for the full investigation of the many facets of radical processes in the biological environment and chemical knowledge plays a crucial role in unveiling basic processes and mechanisms. We developed a chemical biology approach able to connect free radical chemical reactivity with biological processes, providing information on the mechanistic pathways and products. The core of this approach is the design of biomimetic models to study biomolecule behavior (lipids, nucleic acids and proteins) in aqueous systems, obtaining insights of the reaction pathways as well as building up molecular libraries of the free radical reaction products. This context can be successfully used for biomarker discovery and examples are provided with two classes of compounds: mono-trans isomers of cholesteryl esters, which are synthesized and used as references for detection in human plasma, and purine 5',8-cyclo-2'-deoxyribonucleosides, prepared and used as reference in the protocol for detection of such lesions in DNA samples, after ionizing radiations or obtained from different health conditions. PMID:23629513

Electric terminal performance and characterization of solid oxide fuel cells and systems

NASA Astrophysics Data System (ADS)

Lindahl, Peter Allan

Solid Oxide Fuel Cells (SOFCs) are electrochemical devices which can effect efficient, clean, and quiet conversion of chemical to electrical energy. In contrast to conventional electricity generation systems which feature multiple discrete energy conversion processes, SOFCs are direct energy conversion devices. That is, they feature a fully integrated chemical to electrical energy conversion process where the electric load demanded of the cell intrinsically drives the electrochemical reactions and associated processes internal to the cell. As a result, the cell's electric terminals provide a path for interaction between load side electric demand and the conversion side processes. The implication of this is twofold. First, the magnitude and dynamic characteristics of the electric load demanded of the cell can directly impact the long-term efficacy of the cell's chemical to electrical energy conversion. Second, the electric terminal response to dynamic loads can be exploited for monitoring the cell's conversion side processes and used in diagnostic analysis and degradation-mitigating control schemes. This dissertation presents a multi-tier investigation into this electric terminal based performance characterization of SOFCs through the development of novel test systems, analysis techniques and control schemes. First, a reference-based simulation system is introduced. This system scales up the electric terminal performance of a prototype SOFC system, e.g. a single fuel cell, to that of a full power-level stack. This allows realistic stack/load interaction studies while maintaining explicit ability for post-test analysis of the prototype system. Next, a time-domain least squares fitting method for electrochemical impedance spectroscopy (EIS) is developed for reduced-time monitoring of the electrochemical and physicochemical mechanics of the fuel cell through its electric terminals. The utility of the reference-based simulator and the EIS technique are demonstrated through their combined use in the performance testing of a hybrid-source power management (HSPM) system designed to allow in-situ EIS monitoring of a stack under dynamic loading conditions. The results from the latter study suggest that an HSPM controller allows an opportunity for in-situ electric terminal monitoring and control-based mitigation of SOFC degradation. As such, an exploration of control-based SOFC degradation mitigation is presented and ideas for further work are suggested.

Metabolic engineering of Corynebacterium glutamicum for fermentative production of chemicals in biorefinery.

PubMed

Baritugo, Kei-Anne; Kim, Hee Taek; David, Yokimiko; Choi, Jong-Il; Hong, Soon Ho; Jeong, Ki Jun; Choi, Jong Hyun; Joo, Jeong Chan; Park, Si Jae

2018-05-01

Bio-based production of industrially important chemicals provides an eco-friendly alternative to current petrochemical-based processes. Because of the limited supply of fossil fuel reserves, various technologies utilizing microbial host strains for the sustainable production of platform chemicals from renewable biomass have been developed. Corynebacterium glutamicum is a non-pathogenic industrial microbial species traditionally used for L-glutamate and L-lysine production. It is a promising species for industrial production of bio-based chemicals because of its flexible metabolism that allows the utilization of a broad spectrum of carbon sources and the production of various amino acids. Classical breeding, systems, synthetic biology, and metabolic engineering approaches have been used to improve its applications, ranging from traditional amino-acid production to modern biorefinery systems for production of value-added platform chemicals. This review describes recent advances in the development of genetic engineering tools and techniques for the establishment and optimization of metabolic pathways for bio-based production of major C2-C6 platform chemicals using recombinant C. glutamicum.

Characterization and Analysis of Viscoelastically Loaded Thin Film Piezoelectric Resonators Incorporated in AN Oscillator Microsensing System.

NASA Astrophysics Data System (ADS)

O'Toole, Ronald Patrick

1994-01-01

In the recent advancement of piezoelectric resonator technology, there has been a large growth in the application of these devices for chemical sensing. These sensors operate by detecting changes in their environment which perturb the electrical - acoustic operation and in turn can be harnessed by means of supporting electronics and signal processing to monitor various processes. Examples include remote environmental monitoring, chemical process control, and commercial gas phase detectors. In this dissertation, the chemical sensing theory and properties of piezoelectric resonators such as the bulk-acoustic wave thin-film resonator (TFR) and the quartz crystal microbalance (QCM) are developed. This analysis concentrates on characterizing the resonance behavior of thickness mode resonators based upon the physical properties at the electrode interface which include interfacial mass density, elasticity, viscosity, and thickness of the composite device consisting of the piezoelectric material, the electrodes, and any deposited layer on the electrode surface in contact with the surrounding medium. In this work, no approximation is made as to the stress or particle displacement variation across the visco-elastic film which allows a complete study of the perturbational mechanical variations on the electrical and resonance properties of the composite resonator. The derivation and verification of equivalent circuit models based on the physical properties of the piezoelectric resonator and visco-elastic sensing film are presented. The results and models from this research will be beneficial to surface chemistry studies and also have application to fabrication techniques and electrical modeling. The use of this theory is employed in a study of a QCM coated with a commercially developed negative resist. Photo-polymerization of the resist results in induced visco-elastic structural changes which can be monitored and characterized using the full admittance theory of the composite thickness mode resonator. In order to validate the chemical sensing concept, the design and implementation of a TFR controlled chemical sensing system is demonstrated. This system employs the frequency selectivity of the chemical sensing TFR as the feedback element in integrated Colpitts oscillators which are downconverted by superheterodyne techniques. The integrated system design philosophy and performance tradeoffs are discussed. This analysis also investigates the phase noise performance and injection locking considerations of the design. The sensor system detection limit is derived which sets the lower limit of signal detection based upon measurand sensitivity and measured phase noise.

40 CFR 63.984 - Fuel gas systems and processes to which storage vessel, transfer rack, or equipment leak...

Code of Federal Regulations, 2014 CFR

2014-07-01

... times when regulated material emissions are routed to it. (2) The owner or operator of a transfer rack... function in that process; (ii) Transformed by chemical reaction into materials that are not regulated...

40 CFR 63.984 - Fuel gas systems and processes to which storage vessel, transfer rack, or equipment leak...

Code of Federal Regulations, 2012 CFR

2012-07-01

... times when regulated material emissions are routed to it. (2) The owner or operator of a transfer rack... function in that process; (ii) Transformed by chemical reaction into materials that are not regulated...

Amine control for DUV lithography: identifying hidden sources

NASA Astrophysics Data System (ADS)

Kishkovich, Oleg P.; Larson, Carl E.

2000-06-01

The impact of airborne basic molecular contamination (MB) on the performance of chemically amplified (CA) resist systems has been a long standing problem. Low ppb levels of MB may be sufficient for robust 0.25 micrometer lithography with today's advanced CA resist systems combined with adequate chemical air filtration. However, with minimum CD targets heading below 150 nm, the introduction of new resist chemistries for Next Generation Lithography, and the trend towards thinner resists, the impact of MB at low and sub-ppb levels again becomes a critical manufacturing issue. Maximizing process control at aggressive feature sizes requires that the level of MB be maintained below a certain limit, which depends on such parameters as the sensitivity of the CA resist, the type of production tools, product mix, and process characteristics. Three approaches have been identified to reduce the susceptibility of CA resists to MB: effective chemical air filtration, modifications to resist chemistry/processing and cleanroom protocols involving MB monitoring and removal of MB sources from the fab. The final MB concentration depends on the effectiveness of filtration resources and on the total pollution originating from different sources in and out of the cleanroom. There are many well-documented sources of MB. Among these are: ambient air; polluted exhaust from other manufacturing areas re-entering the cleanroom through make-up air handlers; manufacturing process chemicals containing volatile molecular bases; certain cleanroom construction materials, such as paint and ceiling tiles; and volatile, humidifier system boiler additives (corrosion inhibitors), such as morpholine, cyclohexylamine, and dimethylaminoethanol. However, there is also an indeterminate number of other 'hidden' pollution sources, which are neither obvious nor well-documented. None of these sources are new, but they had little impact on earlier semiconductor manufacturing processes because the contamination levels are low enough that they were tolerable. The purpose of this article is to investigate some of these frequently overlooked sources of basic molecular contamination and to thereby increase the reader's awareness of their potential risks.

Multiple-Parameter, Low-False-Alarm Fire-Detection Systems

NASA Technical Reports Server (NTRS)

Hunter, Gary W.; Greensburg, Paul; McKnight, Robert; Xu, Jennifer C.; Liu, C. C.; Dutta, Prabir; Makel, Darby; Blake, D.; Sue-Antillio, Jill

2007-01-01

Fire-detection systems incorporating multiple sensors that measure multiple parameters are being developed for use in storage depots, cargo bays of ships and aircraft, and other locations not amenable to frequent, direct visual inspection. These systems are intended to improve upon conventional smoke detectors, now used in such locations, that reliably detect fires but also frequently generate false alarms: for example, conventional smoke detectors based on the blockage of light by smoke particles are also affected by dust particles and water droplets and, thus, are often susceptible to false alarms. In contrast, by utilizing multiple parameters associated with fires, i.e. not only obscuration by smoke particles but also concentrations of multiple chemical species that are commonly generated in combustion, false alarms can be significantly decreased while still detecting fires as reliably as older smoke-detector systems do. The present development includes fabrication of sensors that have, variously, micrometer- or nanometer-sized features so that such multiple sensors can be integrated into arrays that have sizes, weights, and power demands smaller than those of older macroscopic sensors. The sensors include resistors, electrochemical cells, and Schottky diodes that exhibit different sensitivities to the various airborne chemicals of interest. In a system of this type, the sensor readings are digitized and processed by advanced signal-processing hardware and software to extract such chemical indications of fires as abnormally high concentrations of CO and CO2, possibly in combination with H2 and/or hydrocarbons. The system also includes a microelectromechanical systems (MEMS)-based particle detector and classifier device to increase the reliability of measurements of chemical species and particulates. In parallel research, software for modeling the evolution of a fire within an aircraft cargo bay has been developed. The model implemented in the software can describe the concentrations of chemical species and of particulate matter as functions of time. A system of the present developmental type and a conventional fire detector were tested under both fire and false-alarm conditions in a Federal Aviation Administration cargo-compartment- testing facility. Both systems consistently detected fires. However, the conventional fire detector consistently generated false alarms, whereas the developmental system did not generate any false alarms.

Optical fiber sensors: Systems and applications. Volume 2

NASA Astrophysics Data System (ADS)

Culshaw, Brian; Dakin, John

State-of-the-art fiber-optic (FO) sensors and their applications are described in chapters contributed by leading experts. Consideration is given to interferometers, FO gyros, intensity- and wavelength-based sensors and optical actuators, Si in FO sensors, point-sensor multiplexing principles, and distributed FO sensor systems. Also examined are chemical, biochemical, and medical sensors; physical and chemical sensors for process control; FO-sensor applications in the marine and aerospace industries; FO-sensor monitoring systems for security and safety, structural integrity, NDE, and the electric-power industry; and the market situation for FO-sensor technology. Diagrams, drawings, graphs, and photographs are provided.

Process for converting cellulosic materials into fuels and chemicals

DOEpatents

Scott, Charles D.; Faison, Brendlyn D.; Davison, Brian H.; Woodward, Jonathan

1994-01-01

A process for converting cellulosic materials, such as waste paper, into fuels and chemicals utilizing enzymatic hydrolysis of the major constituent of paper, cellulose. A waste paper slurry is contacted by cellulase in an agitated hydrolyzer. The cellulase is produced from a continuous, columnar, fluidized-bed bioreactor utilizing immobilized microorganisms. An attritor and a cellobiase reactor are coupled to the agitated hydrolyzer to improve reaction efficiency. The cellulase is recycled by an adsorption process. The resulting crude sugars are converted to dilute product in a fluidized-bed bioreactor utilizing microorganisms. The dilute product is concentrated and purified by utilizing distillation and/or a biparticle fluidized-bed bioreactor system.

First observation of a mass independent isotopic fractionation in a condensation reaction

NASA Technical Reports Server (NTRS)

Thiemens, M. H.; Nelson, R.; Dong, Q. W.; Nuth, Joseph A., III

1994-01-01

Thiemens and Heidenreich (1983) first demonstrated that a chemically produced mass independent isotopic fractionation process could produce an isotopic composition which is identical to that observed in Allende inclusions. This raised the possibility that the meteoritic components could be produced by chemical, rather than nuclear processes. In order to develop a mechanistic model of the early solar system, it is important that relevant reactions be studied, particularly, those which may occur in the earliest condensation reactions. The isotopic results for isotopic fractionations associated with condensation processes are reported. A large mass independent isotopic fractionation is observed in one of the experiments.

Aerospace Environmental Technology Conference: Exectutive summary

NASA Technical Reports Server (NTRS)

Whitaker, A. F. (Editor)

1995-01-01

The mandated elimination of CFC's, Halons, TCA, and other ozone depleting chemicals and specific hazardous materials has required changes and new developments in aerospace materials and processes. The aerospace industry has been involved for several years in providing product substitutions, redesigning entire production processes, and developing new materials that minimize or eliminate damage to the environment. These activities emphasize replacement cleaning solvents and their application verifications, compliant coatings including corrosion protection systems, and removal techniques, chemical propulsion effects on the environment, and the initiation of modifications to relevant processing and manufacturing specifications and standards. The papers from this conference are being published in a separate volume as NASA CP-3298.

Two new advanced forms of spectrometry for space and commercial applications

NASA Technical Reports Server (NTRS)

Schlager, Kenneth J.

1991-01-01

Reagentless ultraviolet absorption spectrometry (UVAS) and Liquid Atomic Emission Spectrometry (LAES) represent new forms of spectrometry with extensive potential in both space and commercial applications. Originally developed under KSC sponsorship for monitoring nutrient solutions for the Controlled Ecological Life Support System (CELSS), both UVAS and LAES have extensive analytical capabilities for both organic and inorganic chemical compounds. Both forms of instrumentation involve the use of remote fiber optic probes and real-time measurements for on-line process monitoring. Commercial applications exist primarily in environmental analysis and for process control in the chemical, pulp and paper, food processing, metal plating, and water/wastewater treatment industries.

Case Study of the Innovation Process Characterizing the Development of the Three-Way Catalytic Converter System

DOT National Transportation Integrated Search

1979-11-01

This report traces the development of the three-way catalytic converter system from its origins in automaker and chemical firm research in the 1950s, to present plans preparing the system to be the auto exhaust emission control device most widely use...

Endocrine Disruptors (Chapter 14) in Mammalian Toxicology Book

EPA Science Inventory

Endocrine disrupting chemicals (EDCs) are exogenous substances that alter endocrine system function(s) and consequently cause adverse health effects in intact organisms or its progeny. The endocrine system is important for a wide range of biological processes, from normal cell si...

UAH/NASA Workshop on Fluids Experiment System

NASA Technical Reports Server (NTRS)

Hendricks, J. (Editor); Askins, B. (Editor)

1979-01-01

The Fluids Experiment System is being developed to fit into a Spacelab rack. Papers presented at this workshop describe a variety of fluid and chemical experiments that would be of great benefit to researchers of processes in a low gravity environment.

Introduction to the Focus Issue: Chemo-Hydrodynamic Patterns and Instabilities

NASA Astrophysics Data System (ADS)

De Wit, A.; Eckert, K.; Kalliadasis, S.

2012-09-01

Pattern forming instabilities are often encountered in a wide variety of natural phenomena and technological applications, from self-organization in biological and chemical systems to oceanic or atmospheric circulation and heat and mass transport processes in engineering systems. Spatio-temporal structures are ubiquitous in hydrodynamics where numerous different convective instabilities generate pattern formation and complex spatiotemporal dynamics, which have been much studied both theoretically and experimentally. In parallel, reaction-diffusion processes provide another large family of pattern forming instabilities and spatio-temporal structures which have been analyzed for several decades. At the intersection of these two fields, "chemo-hydrodynamic patterns and instabilities" resulting from the coupling of hydrodynamic and reaction-diffusion processes have been less studied. The exploration of the new instability and symmetry-breaking scenarios emerging from the interplay between chemical reactions, diffusion and convective motions is a burgeoning field in which numerous exciting problems have emerged during the last few years. These problems range from fingering instabilities of chemical fronts and reactive fluid-fluid interfaces to the dynamics of reaction-diffusion systems in the presence of chaotic mixing. The questions to be addressed are at the interface of hydrodynamics, chemistry, engineering or environmental sciences to name a few and, as a consequence, they have started to draw the attention of several communities including both the nonlinear chemical dynamics and hydrodynamics communities. The collection of papers gathered in this Focus Issue sheds new light on a wide range of phenomena in the general area of chemo-hydrodynamic patterns and instabilities. It also serves as an overview of the current research and state-of-the-art in the field.

Treatment of Actual Chemical Wastewater by a Heterogeneous Fenton Process Using Natural Pyrite

PubMed Central

Sun, Liang; Li, Yan; Li, Aimin

2015-01-01

Wastewater from chemical plants has remarkable antibiotic effects on the microorganisms in traditional biological treatment processes. An enhanced Fenton system catalyzed by natural pyrite was developed to degrade this kind of wastewater. Approximately 30% chemical oxygen demand (COD) was removed within 120 min when 50 mmol/L H2O2 and 10 g/L natural pyrite were used at initial pH from 1.8 to 7. A BOD5/COD enhancement efficiency of 210% and an acute biotoxicity removal efficiency of 84% were achieved. The COD removal efficiency was less sensitive to initial pH than was the classic Fenton process. Excessive amounts of pyrite and H2O2 did not negatively affect the pyrite Fenton system. The amount of aniline generated indicated that nitrobenzene reduction by pyrite was promoted using a low initial concentration of H2O2 (<5 mmol/L). Fluorescence excitation emission matrix analyses illustrated that H2O2 facilitated the reduction by natural pyrite of organic molecules containing an electron-withdrawing group to electron-donating group. Thus, the Fenton-like process catalyzed by pyrite can remediate wastewater containing organic pollutants under mild reaction conditions and provide an alternative environmentally friendly method by which to reuse natural pyrite. PMID:26516893

Stochastic Analysis of Reaction–Diffusion Processes

PubMed Central

Hu, Jifeng; Kang, Hye-Won

2013-01-01

Reaction and diffusion processes are used to model chemical and biological processes over a wide range of spatial and temporal scales. Several routes to the diffusion process at various levels of description in time and space are discussed and the master equation for spatially discretized systems involving reaction and diffusion is developed. We discuss an estimator for the appropriate compartment size for simulating reaction–diffusion systems and introduce a measure of fluctuations in a discretized system. We then describe a new computational algorithm for implementing a modified Gillespie method for compartmental systems in which reactions are aggregated into equivalence classes and computational cells are searched via an optimized tree structure. Finally, we discuss several examples that illustrate the issues that have to be addressed in general systems. PMID:23719732

Advanced model-based control strategies for the intensification of upstream and downstream processing in mAb production.

PubMed

Papathanasiou, Maria M; Quiroga-Campano, Ana L; Steinebach, Fabian; Elviro, Montaña; Mantalaris, Athanasios; Pistikopoulos, Efstratios N

2017-07-01

Current industrial trends encourage the development of sustainable, environmentally friendly processes with minimal energy and material consumption. In particular, the increasing market demand in biopharmaceutical industry and the tight regulations in product quality necessitate efficient operating procedures that guarantee products of high purity. In this direction, process intensification via continuous operation paves the way for the development of novel, eco-friendly processes, characterized by higher productivity and lower production costs. This work focuses on the development of advanced control strategies for (i) a cell culture system in a bioreactor and (ii) a semicontinuous purification process. More specifically, we consider a fed-batch culture of GS-NS0 cells and the semicontinuous Multicolumn Countercurrent Solvent Gradient Purification (MCSGP) for the purification process. The controllers are designed following the PAROC framework/software platform and their capabilities are assessed in silico, against the process models. It is demonstrated that the proposed controllers efficiently manage to increase the system productivity, returning strategies that can lead to continuous, stable process operation. © 2017 American Institute of Chemical Engineers Biotechnol. Prog., 33:966-988, 2017. © 2017 American Institute of Chemical Engineers.

Systems metabolic engineering of microorganisms to achieve large-scale production of flavonoid scaffolds.

PubMed

Wu, Junjun; Du, Guocheng; Zhou, Jingwen; Chen, Jian

2014-10-20

Flavonoids possess pharmaceutical potential due to their health-promoting activities. The complex structures of these products make extraction from plants difficult, and chemical synthesis is limited because of the use of many toxic solvents. Microbial production offers an alternate way to produce these compounds on an industrial scale in a more economical and environment-friendly manner. However, at present microbial production has been achieved only on a laboratory scale and improvements and scale-up of these processes remain challenging. Naringenin and pinocembrin, which are flavonoid scaffolds and precursors for most of the flavonoids, are the model molecules that are key to solving the current issues restricting industrial production of these chemicals. The emergence of systems metabolic engineering, which combines systems biology with synthetic biology and evolutionary engineering at the systems level, offers new perspectives on strain and process optimization. In this review, current challenges in large-scale fermentation processes involving flavonoid scaffolds and the strategies and tools of systems metabolic engineering used to overcome these challenges are summarized. This will offer insights into overcoming the limitations and challenges of large-scale microbial production of these important pharmaceutical compounds. Copyright © 2014 Elsevier B.V. All rights reserved.

Evaluation of commercial ultrafiltration systems for treating automotive oily wastewater

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

Kim, B.R.; Kalis, E.M.; Florkey, D.L.

1998-11-01

Currently at Ford Motor Company, oily wastewater is batch treated by chemical demulsification whose performance depends on determining optimum chemical dosages and is occasionally inconsistent because of influent fluctuations. Therefore, a pilot study was conducted at the Ford Romeo Engine Plant, Romeo, Michigan, to study treatment of raw oily wastewater and skim oil (from chemical deemulsification) using commercially available ultrafiltration (UF) systems as an alternative to chemical deemulsification. The study found that most UF membranes performed consistently and reliably, producing average permeate oil and grease (O and G) concentrations of less than 100 mg/L, a typical discharge limit for anmore » automotive plant. In addition, tubular membranes typically outperformed spiral-wound membranes in permeate flux and washing frequency. While all UF systems performed consistently well for removing O and G, the treated effluent still had a chemical oxygen demand (COD) of 100 to 2,000 mg/L, which is comparable to that found in typical chemically treated wastewater. This indicates that many dissolved organics are not removed by either chemical or UF treatment. Metals (such as copper and zinc) were found to be effectively removed by UF when the pH was greater than 8. Most membranes used as a second stage produced retentate with O and G of more than 40%. All attempts at UF skim oil treatment were unsuccessful because of high oil viscosity, which made pumping it through a membrane system almost impossible. Chemical reactions during the chemical deemulsification process might have been responsible for the high viscosity.« less

On the analysis of complex biological supply chains: From Process Systems Engineering to Quantitative Systems Pharmacology.

PubMed

Rao, Rohit T; Scherholz, Megerle L; Hartmanshenn, Clara; Bae, Seul-A; Androulakis, Ioannis P

2017-12-05

The use of models in biology has become particularly relevant as it enables investigators to develop a mechanistic framework for understanding the operating principles of living systems as well as in quantitatively predicting their response to both pathological perturbations and pharmacological interventions. This application has resulted in a synergistic convergence of systems biology and pharmacokinetic-pharmacodynamic modeling techniques that has led to the emergence of quantitative systems pharmacology (QSP). In this review, we discuss how the foundational principles of chemical process systems engineering inform the progressive development of more physiologically-based systems biology models.

Hydrological mixing and geochemical processes characterization in an estuarine/mangrove system using environmental tracers in Babitonga Bay (Santa Catarina, Brazil)

NASA Astrophysics Data System (ADS)

Barros Grace, Virgínia; Mas-Pla, Josep; Oliveira Novais, Therezinha; Sacchi, Elisa; Zuppi, Gian Maria

2008-03-01

The hydrologic complex of Babitonga Bay (Brazil) forms a vast environmental complex where agriculture, shellfish farming, and industries coexist with a unique natural area of Atlantic rain forest and mangrove systems. The origin of different continental hydrological components, the environmental transition between saline and freshwaters, and the influence of the seasonality on Babitonga Bay waters are evaluated using isotopes and chemistry. End-member mixing analysis is used to explore hydrological processes in the bay. We show that a mixing of waters from different origins takes place in the bay modifying its chemical characteristics. Furthermore, biogeochemical processes related to well-developed mangrove systems are responsible for an efficient bromide uptake, which limit its use as a tracer as commonly used in non-biologically active environments. Seasonal behaviours are also distinguished from our datasets. The rainy season (April) provides a homogenization of the hydrological processes that is not seen after the dry season (October), when larger spatial differences appear and when the effects of biological processes on the bay hydrochemistry are more dynamic, or can be better recognized. Moreover, Cl/Br and stable isotopes of water molecule allow a neat definition of the hydrological and biogeochemical processes that control chemical composition in coastal and transition areas.

Considerations for designing chemical screening strategies in plant biology

PubMed Central

Serrano, Mario; Kombrink, Erich; Meesters, Christian

2015-01-01

Traditionally, biologists regularly used classical genetic approaches to characterize and dissect plant processes. However, this strategy is often impaired by redundancy, lethality or pleiotropy of gene functions, which prevent the isolation of viable mutants. The chemical genetic approach has been recognized as an alternative experimental strategy, which has the potential to circumvent these problems. It relies on the capacity of small molecules to modify biological processes by specific binding to protein target(s), thereby conditionally modifying protein function(s), which phenotypically resemble mutation(s) of the encoding gene(s). A successful chemical screening campaign comprises three equally important elements: (1) a reliable, robust, and quantitative bioassay, which allows to distinguish between potent and less potent compounds, (2) a rigorous validation process for candidate compounds to establish their selectivity, and (3) an experimental strategy for elucidating a compound's mode of action and molecular target. In this review we will discuss details of this general strategy and additional aspects that deserve consideration in order to take full advantage of the power provided by the chemical approach to plant biology. In addition, we will highlight some success stories of recent chemical screenings in plant systems, which may serve as teaching examples for the implementation of future chemical biology projects. PMID:25904921

Molecular-Flow Properties of RIB Type Vapor-Transport Systems Using a Fast-Valve

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

Alton, Gerald D; Bilheux, Hassina Z; Zhang, Y.

2014-01-01

The advent of the fast-valve device, described previously, permits measurement of molecular-flow times of chemically active or inactive gaseous species through radioactive ion beam (RIB) target ion source systems, independent of size, geometry and materials of construction. Thus, decay losses of short-half-life RIBs can be determined for a given target/vapor-transport system in advance of on-line operation, thereby ascertaining the feasibility of the system design for successful processing of a given isotope. In this article, molecular-flow-time theory and experimentally measured molecular-flow time data are given for serial- and parallel-coupled Ta metal RIB vapor-transport systems similar to those used at ISOL basedmore » RIB facilities. In addition, the effect of source type on the molecular-flow time properties of a given system is addressed, and a chemical passivation method for negating surface adsorption enthalpies for chemically active gaseous species on Ta surfaces is demonstrated.« less

Overview of the joint services lightweight standoff chemical agent detector (JSLSCAD)

NASA Astrophysics Data System (ADS)

Hammond, Barney; Popa, Mirela

2005-05-01

This paper presents a system-level description of the Joint Services Lightweight Standoff Chemical Agent Detector (JSLSCAD). JSLSCAD is a passive Fourier Transform InfraRed (FTIR) based remote sensing system for detecting chemical warfare agents. Unlike predecessor systems, JSLSCAD is capable of operating while on the move to accomplish reconnaissance, surveillance, and contamination avoidance missions. Additionally, the system is designed to meet the needs for application on air and sea as well as ground mobile and fixed site platforms. The core of the system is a rugged Michelson interferometer with a flexure spring bearing mechanism and bi-directional data acquisition capability. The sensor is interfaced to a small, high performance spatial scanner that provides high-speed, two-axis area coverage. Command, control, and processing electronics have been coupled with real time control software and robust detection/discrimination algorithms. Operator interfaces include local and remote options in addition to interfaces to external communications networks. The modular system design facilitates interfacing to the many platforms targeted for JSLSCAD.

A CO2-Silica Geothermometer for Low Temperature Geothermal Resource Assessment, with Application to Resources in the Safford Basin, Arizona

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

Witcher, James C.; Stone, Claudia

1983-11-01

Geothermics is the study of the earth's heat energy, it's affect on subsurface temperature distribution, it's physical and chemical sources, and it's role in dynamic geologic processes. The term, geothermometry, is applied to the determination of equilibrium temperatures of natural chemical systems, including rock, mineral, and liquid phases. An assemblage of minerals or a chemical system whose phase composition is a function of temperature and pressure can be used as a geothermometer. Thus a geothermometer is useful to determine the formation temperature of rock or the last equilibrium temperature of a flowing aqueous solution such as ground water and hydrothermalmore » fluids.« less

Chemical analyses of ground water for saline-water resources studies in Texas Coastal Plain stored in National Water Data Storage and Retrieval System

USGS Publications Warehouse

Taylor, R.E.

1975-01-01

Chemical analyses of 4,269 water samples from wells in 66 counties in Texas have been processed into the National Water Data Storage and Retrieval System by the Gulf Coast Hydrogeology Project of the U. S. Geological Survey. More than 65,000 chemical analyses of saline waters produced by oil test and production wells have been contributed to the project by major oil companies. The computerized tabulation and the computer-drawn map of the locations of sampling sites are the initial release of oil company, State, and Federal data in Texas Coastal Plain from the data bank.

Organic chemical evolution

NASA Technical Reports Server (NTRS)

Chang, S.

1981-01-01

The course of organic chemical evolution preceding the emergence of life on earth is discussed based on evidence of processes occurring in interstellar space, the solar system and the primitive earth. Following a brief review of the equilibrium condensation model for the origin and evolution of the solar system, consideration is given to the nature and organic chemistry of interstellar clouds, comets, Jupiter, meteorites, Venus and Mars, and the prebiotic earth. Major issues to be resolved in the study of organic chemical evolution on earth are identified regarding condensation and accretion in the solar nebula, early geological evolution, the origin and evolution of the atmosphere, organic production rates, organic-inorganic interactions, environmental fluctuations, phase separation and molecular selectivity.

Precise Design of Phosphorescent Molecular Butterflies with Tunable Photoinduced Structural Change and Dual Emission.

PubMed

Zhou, Chenkun; Tian, Yu; Yuan, Zhao; Han, Mingu; Wang, Jamie; Zhu, Lei; Tameh, Maliheh Shaban; Huang, Chen; Ma, Biwu

2015-08-10

Photoinduced structural change (PSC) is a fundamental excited-state dynamic process in chemical and biological systems. However, precise control of PSC processes is very challenging, owing to the lack of guidelines for designing excited-state potential energy surfaces (PESs). A series of rationally designed butterfly-like phosphorescent binuclear platinum complexes that undergo controlled PSC by Pt-Pt distance shortening and exhibit tunable dual (greenish-blue and red) emission are herein reported. Based on the Bell-Evans-Polanyi principle, it is demonstrated how the energy barrier of the PSC, which can be described as a chemical-reaction-like process between the two energy minima on the first triplet excited-state PES, can be controlled by synthetic means. These results reveal a simple method to engineer the dual emission of molecular systems by manipulating PES to control PSC. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Exergie /4th revised and enlarged edition/

NASA Astrophysics Data System (ADS)

Baloh, T.; Wittwer, E.

The theoretical concept of exergy is explained and its practical applications are discussed. Equilibrium and thermal equilibrium are reviewed as background, and exergy is considered as a reference point for solid-liquid, liquid-liquid, and liquid-gas systems. Exergetic calculations and their graphic depictions are covered. The concepts of enthalpy and entropy are reviewed in detail, including their applications to gas mixtures, solutions, and isolated substances. The exergy of gas mixtures, solutions, and isolated substances is discussed, including moist air, liquid water in water vapor, dry air, and saturation-limited solutions. Mollier exergy-enthalpy-entropy diagrams are presented for two-component systems, and exergy losses for throttling, isobaric mixing, and heat transfer are addressed. The relationship of exergy to various processes is covered, including chemical processes, combustion, and nuclear reactions. The optimization of evaporation plants through exergy is discussed. Calculative examples are presented for energy production and heating, industrial chemical processes, separation of liquid air, nuclear reactors, and others.

System and process for capture of H.sub.2S from gaseous process streams and process for regeneration of the capture agent

DOEpatents

Heldenbrant, David J; Koech, Phillip K; Rainbolt, James E; Bearden, Mark D; Zheng, Feng

2014-02-18

A system and process are disclosed for selective removal and recovery of H.sub.2S from a gaseous volume, e.g., from natural gas. Anhydrous organic, sorbents chemically capture H.sub.2S gas to form hydrosulfide salts. Regeneration of the capture solvent involves addition of an anti-solvent that releases the captured H.sub.2S gas from the capture sorbent. The capture sorbent and anti-solvent are reactivated for reuse, e.g., by simple distillation.

Analysis of digester design concepts

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

Ashare, E.; Wilson, E. H.

1979-01-29

Engineering economic analyses were performed on various digester design concepts to determine the relative performance for various biomass feedstocks. A comprehensive literature survey describing the state-of-the-art of the various digestion designs is included. The digester designs included in the analyses are CSTR, plug flow, batch, CSTR in series, multi-stage digestion and biomethanation. Other process options investigated included pretreatment processes such as shredding, degritting, and chemical pretreatment, and post-digestion processes, such as dewatering and gas purification. The biomass sources considered include feedlot manure, rice straw, and bagasse. The results of the analysis indicate that the most economical (on a unit gasmore » cost basis) digester design concept is the plug flow reactor. This conclusion results from this system providing a high gas production rate combined with a low capital hole-in-the-ground digester design concept. The costs determined in this analysis do not include any credits or penalties for feedstock or by-products, but present the costs only for conversion of biomass to methane. The batch land-fill type digester design was shown to have a unit gas cost comparable to that for a conventional stirred tank digester, with the potential of reducing the cost if a land-fill site were available for a lower cost per unit volume. The use of chemical pretreatment resulted in a higher unit gas cost, primarily due to the cost of pretreatment chemical. A sensitivity analysis indicated that the use of chemical pretreatment could improve the economics provided a process could be developed which utilized either less pretreatment chemical or a less costly chemical. The use of other process options resulted in higher unit gas costs. These options should only be used when necessary for proper process performance, or to result in production of a valuable by-product.« less

Perspective: Aerosol microphysics: From molecules to the chemical physics of aerosols

NASA Astrophysics Data System (ADS)

Bzdek, Bryan R.; Reid, Jonathan P.

2017-12-01

Aerosols are found in a wide diversity of contexts and applications, including the atmosphere, pharmaceutics, and industry. Aerosols are dispersions of particles in a gas, and the coupling of the two phases results in highly dynamic systems where chemical and physical properties like size, composition, phase, and refractive index change rapidly in response to environmental perturbations. Aerosol particles span a wide range of sizes from 1 nm to tens of micrometres or from small molecular clusters that may more closely resemble gas phase molecules to large particles that can have similar qualities to bulk materials. However, even large particles with finite volumes exhibit distinct properties from the bulk condensed phase, due in part to their higher surface-to-volume ratio and their ability to easily access supersaturated solute states inaccessible in the bulk. Aerosols represent a major challenge for study because of the facile coupling between the particle and gas, the small amounts of sample available for analysis, and the sheer breadth of operative processes. Time scales of aerosol processes can be as short as nanoseconds or as long as years. Despite their very different impacts and applications, fundamental chemical physics processes serve as a common theme that underpins our understanding of aerosols. This perspective article discusses challenges in the study of aerosols and highlights recent chemical physics advancements that have enabled improved understanding of these complex systems.

Mechanical-chemical analyses and sub-chronic systemic toxicity of chemical treated organic bovine bone.

PubMed

Lee, Kwang-il; Lee, Jung-soo; Lee, Keun-soo; Jung, Hong-hee; Ahn, Chan-min; Kim, Young-sik; Shim, Young-bock; Jang, Ju-woong

2015-12-01

Sequentially chemical-treated bovine bone was not only evaluated by mechanical and chemical analyses but also implanted into the gluteal muscles of rats for 12 weeks to investigate potential local pathological effects and systemic toxicities. The test (chemical treated bone) and control (heat treated bone) materials were compared using scanning electron microscope (SEM), x-ray diffraction pattern, inductively coupled plasma analysis, and bending strength test. In the SEM images, the micro-porous structure of heat-treated bone was changed to sintered ceramic-like structure. The structure of bone mineral from test and control materials was analyzed as100% hydroxyapatite. The ratio of calcium (Ca) to potassium (P), the main inorganic elements, was same even though the Ca and P percentages of the control material was relatively higher than the test material. No death or critical symptoms arose from implantation of the test (chemical treated bone) and control (physiological saline) materials during 12 weeks. The implanted sites were macroscopically examined, with all the groups showing non-irritant results. Our results indicate that chemical processed bovine bone has a better mechanical property than the heat treated bone and the implantation of this material does not produce systemic or pathological toxicity. Copyright © 2015 Elsevier Inc. All rights reserved.

Using Equation-Free Computation to Accelerate Network-Free Stochastic Simulation of Chemical Kinetics.

PubMed

Lin, Yen Ting; Chylek, Lily A; Lemons, Nathan W; Hlavacek, William S

2018-06-21

The chemical kinetics of many complex systems can be concisely represented by reaction rules, which can be used to generate reaction events via a kinetic Monte Carlo method that has been termed network-free simulation. Here, we demonstrate accelerated network-free simulation through a novel approach to equation-free computation. In this process, variables are introduced that approximately capture system state. Derivatives of these variables are estimated using short bursts of exact stochastic simulation and finite differencing. The variables are then projected forward in time via a numerical integration scheme, after which a new exact stochastic simulation is initialized and the whole process repeats. The projection step increases efficiency by bypassing the firing of numerous individual reaction events. As we show, the projected variables may be defined as populations of building blocks of chemical species. The maximal number of connected molecules included in these building blocks determines the degree of approximation. Equation-free acceleration of network-free simulation is found to be both accurate and efficient.

Comparison of Iron and Tungsten Based Oxygen Carriers for Hydrogen Production Using Chemical Looping Reforming

NASA Astrophysics Data System (ADS)

Khan, M. N.; Shamim, T.

2017-08-01

Hydrogen production by using a three reactor chemical looping reforming (TRCLR) technology is an innovative and attractive process. Fossil fuels such as methane are the feedstocks used. This process is similar to a conventional steam-methane reforming but occurs in three steps utilizing an oxygen carrier. As the oxygen carrier plays an important role, its selection should be done carefully. In this study, two oxygen carrier materials of base metal iron (Fe) and tungsten (W) are analysed using a thermodynamic model of a three reactor chemical looping reforming plant in Aspen plus. The results indicate that iron oxide has moderate oxygen carrying capacity and is cheaper since it is abundantly available. In terms of hydrogen production efficiency, tungsten oxide gives 4% better efficiency than iron oxide. While in terms of electrical power efficiency, iron oxide gives 4.6% better results than tungsten oxide. Overall, a TRCLR system with iron oxide is 2.6% more efficient and is cost effective than the TRCLR system with tungsten oxide.

Complete physico-chemical treatment for coke plant effluents.

PubMed

Ghose, M K

2002-03-01

Naturally found coal is converted to coke which is suitable for metallurgical industries. Large quantities of liquid effluents produced contain a large amount of suspended solids, high COD, BOD, phenols, ammonia and other toxic substances which are causing serious pollution problem in the receiving water to which they are discharged. There are a large number of coke plants in the vicinity of Jharia Coal Field (JCF). Characteristics of the effluents have been evaluated. The present effluent treatment systems were found to be inadequate. Physico-chemical treatment has been considered as a suitable option for the treatment of coke plant effluents. Ammonia removal by synthetic zeolite, activated carbon for the removal of bacteria, viruses, refractory organics, etc. were utilized and the results are discussed. A scheme has been proposed for the complete physico-chemical treatment, which can be suitably adopted for the recycling, reuse and safe disposal of the treated effluent. Various unit process and unit operations involved in the treatment system have been discussed. The process may be useful on industrial scale at various sites.

Minutes of the 23rd Eplosives Safety Seminar, volume 2

NASA Astrophysics Data System (ADS)

1988-08-01

Some areas of discussion at this seminar were: Hazards and risks of the disposal of chemical munitions using a cryogenic process; Special equipment for demilitarization of lethal chemical agent filled munitions; explosive containment room (ECR) repair Johnston Atoll chemical agent disposal system; Sympathetic detonation testing; Blast loads, external and internal; Structural reponse testing of walls, doors, and valves; Underground explosion effects, external airblast; Explosives shipping, transportation safety and port licensing; Explosive safety management; Underground explosion effects, model test and soil rock effects; Chemical risk and protection of workers; and Full scale explosives storage test.

Development and Performance of the Modularized, High-performance Computing and Hybrid-architecture Capable GEOS-Chem Chemical Transport Model

NASA Astrophysics Data System (ADS)

Long, M. S.; Yantosca, R.; Nielsen, J.; Linford, J. C.; Keller, C. A.; Payer Sulprizio, M.; Jacob, D. J.

2014-12-01

The GEOS-Chem global chemical transport model (CTM), used by a large atmospheric chemistry research community, has been reengineered to serve as a platform for a range of computational atmospheric chemistry science foci and applications. Development included modularization for coupling to general circulation and Earth system models (ESMs) and the adoption of co-processor capable atmospheric chemistry solvers. This was done using an Earth System Modeling Framework (ESMF) interface that operates independently of GEOS-Chem scientific code to permit seamless transition from the GEOS-Chem stand-alone serial CTM to deployment as a coupled ESM module. In this manner, the continual stream of updates contributed by the CTM user community is automatically available for broader applications, which remain state-of-science and directly referenceable to the latest version of the standard GEOS-Chem CTM. These developments are now available as part of the standard version of the GEOS-Chem CTM. The system has been implemented as an atmospheric chemistry module within the NASA GEOS-5 ESM. The coupled GEOS-5/GEOS-Chem system was tested for weak and strong scalability and performance with a tropospheric oxidant-aerosol simulation. Results confirm that the GEOS-Chem chemical operator scales efficiently for any number of processes. Although inclusion of atmospheric chemistry in ESMs is computationally expensive, the excellent scalability of the chemical operator means that the relative cost goes down with increasing number of processes, making fine-scale resolution simulations possible.

SEMICONDUCTOR TECHNOLOGY A signal processing method for the friction-based endpoint detection system of a CMP process

NASA Astrophysics Data System (ADS)

Chi, Xu; Dongming, Guo; Zhuji, Jin; Renke, Kang

2010-12-01

A signal processing method for the friction-based endpoint detection system of a chemical mechanical polishing (CMP) process is presented. The signal process method uses the wavelet threshold denoising method to reduce the noise contained in the measured original signal, extracts the Kalman filter innovation from the denoised signal as the feature signal, and judges the CMP endpoint based on the feature of the Kalman filter innovation sequence during the CMP process. Applying the signal processing method, the endpoint detection experiments of the Cu CMP process were carried out. The results show that the signal processing method can judge the endpoint of the Cu CMP process.

Wet-air oxidation cleans up black wastewater

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

Not Available

1993-09-01

Sterling Organics produces the analgesic paracetamol (acetaminophen) at its Dudley, England, plant. The wastewater from the batch process contains intermediates such as para-aminophenol (PAP) and byproducts such as thiosulfates, sulfites and sulfides. To stay ahead of increasingly strict environmental legislation, Sterling Organics installed a wet-air oxidation system at the Dudley facility in August 1992. The system is made by Zimpro Environmental Inc. (Rothschild, Wis.). Zimpro's wet-air oxidation system finds a way around the limitations of purely chemical or physical processes. In the process, compressed air at elevated temperature and pressure oxidizes the process intermediates and byproducts and removes the colormore » from the wastewater.« less

Space Station Freedom ECLSS: A step toward autonomous regenerative life support systems

NASA Technical Reports Server (NTRS)

Dewberry, Brandon S.

1990-01-01

The Environmental Control and Life Support System (ECLSS) is a Freedom Station distributed system with inherent applicability to extensive automation primarily due to its comparatively long control system latencies. These allow longer contemplation times in which to form a more intelligent control strategy and to prevent and diagnose faults. The regenerative nature of the Space Station Freedom ECLSS will contribute closed loop complexities never before encountered in life support systems. A study to determine ECLSS automation approaches has been completed. The ECLSS baseline software and system processes could be augmented with more advanced fault management and regenerative control systems for a more autonomous evolutionary system, as well as serving as a firm foundation for future regenerative life support systems. Emerging advanced software technology and tools can be successfully applied to fault management, but a fully automated life support system will require research and development of regenerative control systems and models. The baseline Environmental Control and Life Support System utilizes ground tests in development of batch chemical and microbial control processes. Long duration regenerative life support systems will require more active chemical and microbial feedback control systems which, in turn, will require advancements in regenerative life support models and tools. These models can be verified using ground and on orbit life support test and operational data, and used in the engineering analysis of proposed intelligent instrumentation feedback and flexible process control technologies for future autonomous regenerative life support systems, including the evolutionary Space Station Freedom ECLSS.

A MODELING AND SIMULATION LANGUAGE FOR BIOLOGICAL CELLS WITH COUPLED MECHANICAL AND CHEMICAL PROCESSES

PubMed Central

Somogyi, Endre; Glazier, James A.

2017-01-01

Biological cells are the prototypical example of active matter. Cells sense and respond to mechanical, chemical and electrical environmental stimuli with a range of behaviors, including dynamic changes in morphology and mechanical properties, chemical uptake and secretion, cell differentiation, proliferation, death, and migration. Modeling and simulation of such dynamic phenomena poses a number of computational challenges. A modeling language describing cellular dynamics must naturally represent complex intra and extra-cellular spatial structures and coupled mechanical, chemical and electrical processes. Domain experts will find a modeling language most useful when it is based on concepts, terms and principles native to the problem domain. A compiler must then be able to generate an executable model from this physically motivated description. Finally, an executable model must efficiently calculate the time evolution of such dynamic and inhomogeneous phenomena. We present a spatial hybrid systems modeling language, compiler and mesh-free Lagrangian based simulation engine which will enable domain experts to define models using natural, biologically motivated constructs and to simulate time evolution of coupled cellular, mechanical and chemical processes acting on a time varying number of cells and their environment. PMID:29303160

A MODELING AND SIMULATION LANGUAGE FOR BIOLOGICAL CELLS WITH COUPLED MECHANICAL AND CHEMICAL PROCESSES.

PubMed

Somogyi, Endre; Glazier, James A

2017-04-01

Biological cells are the prototypical example of active matter. Cells sense and respond to mechanical, chemical and electrical environmental stimuli with a range of behaviors, including dynamic changes in morphology and mechanical properties, chemical uptake and secretion, cell differentiation, proliferation, death, and migration. Modeling and simulation of such dynamic phenomena poses a number of computational challenges. A modeling language describing cellular dynamics must naturally represent complex intra and extra-cellular spatial structures and coupled mechanical, chemical and electrical processes. Domain experts will find a modeling language most useful when it is based on concepts, terms and principles native to the problem domain. A compiler must then be able to generate an executable model from this physically motivated description. Finally, an executable model must efficiently calculate the time evolution of such dynamic and inhomogeneous phenomena. We present a spatial hybrid systems modeling language, compiler and mesh-free Lagrangian based simulation engine which will enable domain experts to define models using natural, biologically motivated constructs and to simulate time evolution of coupled cellular, mechanical and chemical processes acting on a time varying number of cells and their environment.

Selective Catalytic Synthesis Using the Combination of Carbon Dioxide and Hydrogen: Catalytic Chess at the Interface of Energy and Chemistry.

PubMed

Klankermayer, Jürgen; Wesselbaum, Sebastian; Beydoun, Kassem; Leitner, Walter

2016-06-20

The present Review highlights the challenges and opportunities when using the combination CO2 /H2 as a C1 synthon in catalytic reactions and processes. The transformations are classified according to the reduction level and the bond-forming processes, covering the value chain from high volume basic chemicals to complex molecules, including biologically active substances. Whereas some of these concepts can facilitate the transition of the energy system by harvesting renewable energy into chemical products, others provide options to reduce the environmental impact of chemical production already in today's petrochemical-based industry. Interdisciplinary fundamental research from chemists and chemical engineers can make important contributions to sustainable development at the interface of the energetic and chemical value chain. The present Review invites the reader to enjoy this exciting area of "catalytic chess" and maybe even to start playing some games in her or his laboratory. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A simple analytical model for signal amplification by reversible exchange (SABRE) process.

PubMed

Barskiy, Danila A; Pravdivtsev, Andrey N; Ivanov, Konstantin L; Kovtunov, Kirill V; Koptyug, Igor V

2016-01-07

We demonstrate an analytical model for the description of the signal amplification by reversible exchange (SABRE) process. The model relies on a combined analysis of chemical kinetics and the evolution of the nuclear spin system during the hyperpolarization process. The presented model for the first time provides rationale for deciding which system parameters (i.e. J-couplings, relaxation rates, reaction rate constants) have to be optimized in order to achieve higher signal enhancement for a substrate of interest in SABRE experiments.

Controls on the Environmental Fate of Compounds Controlled by Coupled Hydrologic and Reactive Processes

NASA Astrophysics Data System (ADS)

Hixson, J.; Ward, A. S.; McConville, M.; Remucal, C.

2017-12-01

Current understanding of how compounds interact with hydrologic processes or reactive processes have been well established. However, the environmental fate for compounds that interact with hydrologic AND reactive processes is not well known, yet critical in evaluating environmental risk. Evaluations of risk are often simplified to homogenize processes in space and time and to assess processes independently of one another. However, we know spatial heterogeneity and time-variable reactivities complicate predictions of environmental transport and fate, and is further complicated by the interaction of these processes, limiting our ability to accurately predict risk. Compounds that interact with both systems, such as photolytic compounds, require that both components are fully understood in order to predict transport and fate. Release of photolytic compounds occurs through both unintentional releases and intentional loadings. Evaluating risks associated with unintentional releases and implementing best management practices for intentional releases requires an in-depth understanding of the sensitivity of photolytic compounds to external controls. Lampricides, such as 3-trifluoromethyl-4-nitrophenol (TFM), are broadly applied in the Great Lakes system to control the population of invasive sea lamprey. Over-dosing can yield fish kills and other detrimental impacts. Still, planning accounts for time of passage and dilution, but not the interaction of the physical and chemical systems (i.e., storage in the hyporheic zone and time-variable decay rates). In this study, we model a series of TFM applications to test the efficacy of dosing as a function of system characteristics. Overall, our results demonstrate the complexity associated with photo-sensitive compounds through stream-hyporheic systems, and highlight the need to better understand how physical and chemical systems interact to control transport and fate in the environment.

Autonomous chemical and biological miniature wireless-sensor

NASA Astrophysics Data System (ADS)

Goldberg, Bar-Giora

2005-05-01

The presentation discusses a new concept and a paradigm shift in biological, chemical and explosive sensor system design and deployment. From large, heavy, centralized and expensive systems to distributed wireless sensor networks utilizing miniature platforms (nodes) that are lightweight, low cost and wirelessly connected. These new systems are possible due to the emergence and convergence of new innovative radio, imaging, networking and sensor technologies. Miniature integrated radio-sensor networks, is a technology whose time has come. These network systems are based on large numbers of distributed low cost and short-range wireless platforms that sense and process their environment and communicate data thru a network to a command center. The recent emergence of chemical and explosive sensor technology based on silicon nanostructures, coupled with the fast evolution of low-cost CMOS imagers, low power DSP engines and integrated radio chips, has created an opportunity to realize the vision of autonomous wireless networks. These threat detection networks will perform sophisticated analysis at the sensor node and convey alarm information up the command chain. Sensor networks of this type are expected to revolutionize the ability to detect and locate biological, chemical, or explosive threats. The ability to distribute large numbers of low-cost sensors over large areas enables these devices to be close to the targeted threats and therefore improve detection efficiencies and enable rapid counter responses. These sensor networks will be used for homeland security, shipping container monitoring, and other applications such as laboratory medical analysis, drug discovery, automotive, environmental and/or in-vivo monitoring. Avaak"s system concept is to image a chromatic biological, chemical and/or explosive sensor utilizing a digital imager, analyze the images and distribute alarm or image data wirelessly through the network. All the imaging, processing and communications would take place within the miniature, low cost distributed sensor platforms. This concept however presents a significant challenge due to a combination and convergence of required new technologies, as mentioned above. Passive biological and chemical sensors with very high sensitivity and which require no assaying are in development using a technique to optically and chemically encode silicon wafers with tailored nanostructures. The silicon wafer is patterned with nano-structures designed to change colors ad patterns when exposed to the target analytes (TICs, TIMs, VOC). A small video camera detects the color and pattern changes on the sensor. To determine if an alarm condition is present, an on board DSP processor, using specialized image processing algorithms and statistical analysis, determines if color gradient changes occurred on the sensor array. These sensors can detect several agents simultaneously. This system is currently under development by Avaak, with funding from DARPA through an SBIR grant.

MOLECULAR BONDING SYSTEM - INNOVATIVE TECHNOLOGY EVALUATION REPORT

EPA Science Inventory

This document presents an evaluation of the Molecular Bonding System (MBS) and its ability to chemically stabilize three metals-contaminated wstes/soils during a SITe demo. The MBS process treated approximately 500 tons each of soil/Fill, Slag, and Miscellaneous Smelter Waste wit...

Integrated Multimedia Modeling System Response to Regional Land Management Change

EPA Science Inventory

A multi-media system of nitrogen and co-pollutant models describing critical physical and chemical processes that cascade synergistically and competitively through the environment, the economy and society has been developed at the USEPA Office of research and development. It is ...

Radiation Induced Chemistry of Icy Surfaces: Laboratory Simulations

NASA Technical Reports Server (NTRS)

Gudipati, Murthy S.; Lignell, Antti; Li, Irene; Yang, Rui; Jacovi, Ronen

2011-01-01

We will discuss laboratory experiments designed to enhance our understanding the chemical processes on icy solar system bodies, enable interpretation of in-situ and remote-sensing data, and help future missions to icy solar system bodies, such as comets, Europa, Ganymede, Enceladus etc.

Inhibition of the Thyroid Hormone Pathway in Xenopus by Mercaptobenzothiazole

EPA Science Inventory

Amphibian metamorphosis is a thyroid hormone-dependent process that provides a potential model system to assess chemicals for their ability to disrupt the hypothalamic-pituitary-thyroid (HPT) axis. Several studies have demonstrated the sensitivity of this system to a variety of ...

Chemically Derivatized Semiconductor Photoelectrodes.

ERIC Educational Resources Information Center

Wrighton, Mark S.

1983-01-01

Deliberate modification of semiconductor photoelectrodes to improve durability and enhance rate of desirable interfacial redox processes is discussed for a variety of systems. Modification with molecular-based systems or with metals/metal oxides yields results indicating an important role for surface modification in devices for fundamental study…

Modeling of wastewater treatment system of car parks from petroleum products

NASA Astrophysics Data System (ADS)

Savdur, S. N.; Stepanova, Yu V.; Kodolova, I. A.; Fesina, E. L.

2018-05-01

The paper discusses the technological complex of wastewater treatment of car parks from petroleum products. Based on the review of the main modeling methods of discrete-continuous chemical and engineering processes, it substantiates expediency of using the theory of Petri nets (PN) for modeling the process of wastewater treatment of car parks from petroleum products. It is proposed to use a modification of Petri nets which is focused on modeling and analysis of discrete-continuous chemical and engineering processes by prioritizing transitions, timing marks in positions and transitions. A model in the form of modified Petri nets (MPN) is designed. A software package to control the process for wastewater treatment is designed by means of SCADA TRACE MODE.

Closed-Loop Multitarget Optimization for Discovery of New Emulsion Polymerization Recipes

PubMed Central

2015-01-01

Self-optimization of chemical reactions enables faster optimization of reaction conditions or discovery of molecules with required target properties. The technology of self-optimization has been expanded to discovery of new process recipes for manufacture of complex functional products. A new machine-learning algorithm, specifically designed for multiobjective target optimization with an explicit aim to minimize the number of “expensive” experiments, guides the discovery process. This “black-box” approach assumes no a priori knowledge of chemical system and hence particularly suited to rapid development of processes to manufacture specialist low-volume, high-value products. The approach was demonstrated in discovery of process recipes for a semibatch emulsion copolymerization, targeting a specific particle size and full conversion. PMID:26435638

Organic microchemical performance of solvent resistant polycarbosilane based microreactor.

PubMed

Yoon, Tae-Ho; Jung, Sang-Hee; Kim, Dong-Pyo

2011-05-01

We report the successful fabrication of preceramic polymer allylhydridopolycarbosilane (AHPCS) derived microchannels with excellent organic solvent resistance and optical transparency via economic imprinting process, followed by UV and post thermal curing process at 160 degrees C for 3 h. The microchemical performance of the fabricated microreactors was evaluated by choosing two model micro chemical reactions under organic solvent conditions; syntheses of 2-aminothiazole in DMF and dimethylpyrazole in THF, and compared with glass-based microreactor having identical dimensions and batch system with analogy. It is clear that AHPCS derived microreactor showed excellent solvent resistance and chemical stability compare with glass derived microreactor made by high cost of photolithography and thermal bonding process. The novel preceramic polymer derived microreactors showed reliable mechanical and chemical stability and conversion yields compare with that of glass derived microreactors, which is very promising for developing an integrated microfluidics by adopting available microstructuring techniques of the polymers.

Characterization of landfill leachates by molecular size distribution, biodegradability, and inert chemical oxygen demand.

PubMed

Amaral, Míriam C S; Ferreira, Cynthia F A; Lange, Liséte Celina; Aquino, Sérgio F

2009-05-01

This work presents results from a detailed characterization of landfill leachates of different ages from a landfill in a major Brazilian city. This characterization consists of determining the molecular size distribution and the inert chemical oxygen demand (COD) and the biodegradability of both aerobic and anaerobic processes. Results show that leachate with a high COD concentration leachate has low biodegradability. A significant fraction of the COD is not characterized as protein, carbohydrate, or lipids, which reinforces the hypothesis that the remaining fraction was present in all leachate fractions (less than 1 kDa; between 1 and 10 kDa; between 10 and 100 kDa; and greater than 100 kDa) and is refractory. These results suggest that leachates with such characteristics require treatment systems that use physical-chemical processes as a pre- or post-treatment step to biological processes.

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.…

Implementing a Systematic Process for Rapidly Embedding Sustainability within Chemical Engineering Education: A Case Study of James Cook University, Australia

ERIC Educational Resources Information Center

Sheehan, Madoc; Schneider, Phil; Desha, Cheryl

2012-01-01

Sustainability has emerged as a primary context for engineering education in the 21st Century, particularly the sub-discipline of chemical engineering. However, there is confusion over how to go about integrating sustainability knowledge and skills systemically within bachelor degrees. This paper addresses this challenge, using a case study of an…

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