Rotary Bed Reactor for Chemical-Looping Combustion with Carbon Capture. Part 1: Reactor Design and Model Development

KAUST Repository

Zhao, Zhenlong; Chen, Tianjiao; Ghoniem, Ahmed F.

2013-01-01

Chemical-looping combustion (CLC) is a novel and promising technology for power generation with inherent CO2 capture. Currently, almost all of the research has been focused on developing CLC-based interconnected fluidized-bed reactors. In this two

Thermodynamic analysis of in situ gasification-chemical looping combustion (iG-CLC) of Indian coal.

Science.gov (United States)

Suresh, P V; Menon, Kavitha G; Prakash, K S; Prudhvi, S; Anudeep, A

2016-10-01

Chemical looping combustion (CLC) is an inherent CO 2 capture technology. It is gaining much interest in recent years mainly because of its potential in addressing climate change problems associated with CO 2 emissions from power plants. A typical chemical looping combustion unit consists of two reactors-fuel reactor, where oxidation of fuel occurs with the help of oxygen available in the form of metal oxides and, air reactor, where the reduced metal oxides are regenerated by the inflow of air. These oxides are then sent back to the fuel reactor and the cycle continues. The product gas from the fuel reactor contains a concentrated stream of CO 2 which can be readily stored in various forms or used for any other applications. This unique feature of inherent CO 2 capture makes the technology more promising to combat the global climate changes. Various types of CLC units have been discussed in literature depending on the type of fuel burnt. For solid fuel combustion three main varieties of CLC units exist namely: syngas CLC, in situ gasification-CLC (iG-CLC) and chemical looping with oxygen uncoupling (CLOU). In this paper, theoretical studies on the iG-CLC unit burning Indian coal are presented. Gibbs free energy minimization technique is employed to determine the composition of flue gas and oxygen carrier of an iG-CLC unit using Fe 2 O 3 , CuO, and mixed carrier-Fe 2 O 3 and CuO as oxygen carriers. The effect of temperature, suitability of oxygen carriers, and oxygen carrier circulation rate on the performance of a CLC unit for Indian coal are studied and presented. These results are analyzed in order to foresee the operating conditions at which economic and smooth operation of the unit is expected.

Natural Ores as Oxygen Carriers in Chemical Looping Combustion

Energy Technology Data Exchange (ETDEWEB)

Tian, Hanjing; Siriwardane, Ranjani; Simonyi, Thomas; Poston, James

2013-08-01

Chemical looping combustion (CLC) is a combustion technology that utilizes oxygen from oxygen carriers (OC), such as metal oxides, instead of air to combust fuels. The use of natural minerals as oxygen carriers has advantages, such as lower cost and availability. Eight materials, based on copper or iron oxides, were selected for screening tests of CLC processes using coal and methane as fuels. Thermogravimetric experiments and bench-scale fixed-bed reactor tests were conducted to investigate the oxygen transfer capacity, reaction kinetics, and stability during cyclic reduction/oxidation reaction. Most natural minerals showed lower combustion capacity than pure CuO/Fe{sub 2}O{sub 3} due to low-concentrations of active oxide species in minerals. In coal CLC, chryscolla (Cu-based), magnetite, and limonite (Fe-based) demonstrated better reaction performances than other materials. The addition of steam improved the coal CLC performance when using natural ores because of the steam gasification of coal and the subsequent reaction of gaseous fuels with active oxide species in the natural ores. In methane CLC, chryscolla, hematite, and limonite demonstrated excellent reactivity and stability in 50-cycle thermogravimetric analysis tests. Fe{sub 2}O{sub 3}-based ores possess greater oxygen utilization but require an activation period before achieving full performance in methane CLC. Particle agglomeration issues associated with the application of natural ores in CLC processes were also studied by scanning electron microscopy (SEM).

Rotary Bed Reactor for Chemical-Looping Combustion with Carbon Capture. Part 2: Base Case and Sensitivity Analysis

KAUST Repository

Zhao, Zhenlong; Chen, Tianjiao; Ghoniem, Ahmed F.

2013-01-01

Part 1 (10.1021/ef3014103) of this series describes a new rotary reactor for gas-fueled chemical-looping combustion (CLC), in which, a solid wheel with microchannels rotates between the reducing and oxidizing streams. The oxygen carrier (OC) coated

Performance of calcium manganate as oxygen carrier in chemical looping combustion of biochar in a 10 kW pilot

International Nuclear Information System (INIS)

Schmitz, Matthias; Linderholm, Carl Johan

2016-01-01

Highlights: • A manganese-based perovskite material was used as oxygen carrier in chemical looping combustion. • The oxygen carrier’s performance was superior to materials previously tested in this reactor throughout the testing period. • Under stable conditions, oxygen demand was as low as 2.1% with a carbon capture efficiency of up to 98%. • No signs of agglomeration were detected. • Gaseous oxygen was released at all relevant fuel reactor temperatures. - Abstract: Chemical looping combustion (CLC) and chemical looping with oxygen uncoupling (CLOU) are carbon capture technologies which achieve gas separation by means of cycling oxidation and reduction of a solid oxygen carrier. In this study, the performance and CLOU properties of an oxygen carrier with perovskite structure, CaMn_0_._9Mg_0_._1O_3_−_δ_, were investigated in a 10 kW pilot. The fuel consisted of biochar with very low sulphur content. Around 37 h of operation with fuel were carried out in the 10 kW chemical looping combustor. Previous operational experience in this unit has been achieved using different natural minerals as oxygen carrier – mainly ilmenite and manganese ore. Parametric studies performed in this work included variation of fuel flow, solids circulation rate, temperature and fluidization gas in the fuel reactor. The oxygen carrier was exposed to a total 73 h of hot fluidization (T > 600 °C). No hard particle agglomerations were formed during the experiments. An oxygen demand as low as 2.1% could be reached under stable operating conditions, with a carbon capture efficiency of up to 98%. CLOU properties were observed at all fuel reactor temperatures, ensuring stable operation even without steam as gasification agent present in the fuel reactor. The results suggest that CaMn_0_._9Mg_0_._1O_3_−_δ is suitable for the use as oxygen carrier in chemical looping combustion of solid biochar and offers higher gas conversion than previously tested materials without CLOU

Fabrication and processing of next-generation oxygen carrier materials for chemical looping combustion

Energy Technology Data Exchange (ETDEWEB)

Nadarajah, Arunan [Univ. of Toledo, OH (United States)

2017-04-26

Among numerous methods of controlling the global warming effect, Chemical Looping Combustion is known to be the most viable option currently. A key factor to a successful chemical looping process is the presence of highly effective oxygen carriers that enable fuel combustion by going through oxidation and reduction in the presence of air and fuel respectively. In this study, CaMnO_3-δ was used as the base material and doped on the A-site (Sr or La) and B-site (Fe, Ti, Zn and Al) by 10 mol % of dopants. Solid state reaction followed by mechanical extrusion (optimized paste formula) was used as the preparation method A series of novel doped perovskite-type oxygen carrier particles (Ca_xLa (Or Sa)_1-x Mn_1-yByO_3-δ (B-site = Fe, Ti, Al, or Zr)) were synthesized by the proposed extrusion formula. The produced samples were characterized with XRD, SEM, BET and TGA techniques. According to the results obtained from TGA analysis, the oxygen capacity of the samples ranged between 1.2 for CLMZ and 1.75 for CSMF. Reactivity and oxygen uncoupling behaviors of the prepared samples were also evaluated using a fluidized bed chemical looping reactor using methane as the fuel at four different temperatures (800, 850, 900, 950 °C). All of the oxygen carriers showed oxygen uncoupling behavior and they were able to capture and release oxygen. Mass-based conversion of the perovskites was calculated and temperature increase proved to increase the mass-based conversion rate in all of the samples under study. Gas yield was calculated at 950 °C as well, and results showed that CLMZ, CM and CSMF showed 100% gas yields and CLMF and CSMZ showed approximately 85% yield in fluidized bed reactor, which is a high and acceptable quantity. Based on extended reactor tests the modified calcium manganese perovskite structures (CSMF) can be a good candidate for future pilot tests.

Energetic analysis of a syngas-fueled chemical-looping combustion combined cycle with integration of carbon dioxide sequestration

International Nuclear Information System (INIS)

Jiménez Álvaro, Ángel; Paniagua, Ignacio López; Fernández, Celina González; Carlier, Rafael Nieto; Martín, Javier Rodríguez

2014-01-01

Chemical-looping combustion for power generation has significant advantages over conventional combustion. Mainly, it allows an integration of CO 2 capture in the power plant without energy penalty; secondly, a less exergy destruction in the combustion chemical transformation is achieved, leading to a greater overall thermal efficiency. Most efforts have been devoted to systems based on methane as a fuel, although other systems for alternative fuels have can be proposed. This paper focus on the study of the energetic performance of this concept of combustion in a gas turbine combined cycle when synthesis gas is used as fuel. After optimization of some thermodynamic parameters of the cycle, the power plant performance is evaluated under diverse working conditions and compared to a conventional gas turbine system. Energy savings related with CO 2 capture and storage have been quantified. The overall efficiency increase is found to be significant, reaching values of around 5% (even more in some cases). In order to analyze the influence of syngas composition on the results, different H 2 -content fuels are considered. In a context of real urgency to reduce green house gas emissions, this work is intended to contribute to the conceptual development of highly efficient alternative power generation systems. - Highlights: • Analysis of the energetic performance of a CLC (chemical-looping combustion) gas turbine system is done. • Syngas as fuel and iron oxides as oxygen carrier are considered. • Different H 2 -content syngas are under study. • Energy savings accounting CO 2 sequestration and storage are quantified. • A significant increase on thermal efficiency of about 5–6% is found

Thermal and mechanical behaviour of oxygen carrier materials for chemical looping combustion in a packed bed reactor

NARCIS (Netherlands)

Jacobs, M.; Van Noyen, J.; Larring, Y.; McCann, M.; Pishahang, M.; Amini, S.; Ortiz, M.; Galluci, F.; Sint-Annaland, M. V.; Tournigant, D.; Louradour, E.; Snijkers, F.

2015-01-01

Chemical looping combustion (CLC) is a promising carbon capture technology where cyclic reduction and oxidation of a metallic oxide, which acts as a solid oxygen carrier, takes place. With this system, direct contact between air and fuel can be avoided, and so, a concentrated CO2 stream is generated

Alstom's Chemical Looping Combustion Prototype for CO₂ Capture from Existing Pulverized Coal-Fired Power Plants

Energy Technology Data Exchange (ETDEWEB)

Andrus, Jr., Herbert E. [Alstom Power Inc., Windsor, CT (United States); Chiu, John H. [Alstom Power Inc., Windsor, CT (United States); Edberg, Carl D. [Alstom Power Inc., Windsor, CT (United States); Thibeault, Paul R. [Alstom Power Inc., Windsor, CT (United States); Turek, David G. [Alstom Power Inc., Windsor, CT (United States)

2012-09-30

Alstom’s Limestone Chemical Looping (LCL™) process has the potential to capture CO₂ from new and existing coal-fired power plants while maintaining high plant power generation efficiency. This new power plant concept is based on a hybrid combustion- gasification process utilizing high temperature chemical and thermal looping technology. This process could also be potentially configured as a hybrid combustion-gasification process producing a syngas or hydrogen for various applications while also producing a separate stream of CO₂ for use or sequestration. The targets set for this technology is to capture over 90% of the total carbon in the coal at cost of electricity which is less than 20% greater than Conventional PC or CFB units. Previous work with bench scale test and a 65 kWt Process Development Unit Development (PDU) has validated the chemistry required for the chemical looping process and provided for the investigation of the solids transport mechanisms and design requirements. The objective of this project is to continue development of the combustion option of chemical looping (LCL-C™) by designing, building and testing a 3 MWt prototype facility. The prototype includes all of the equipment that is required to operate the chemical looping plant in a fully integrated manner with all major systems in service. Data from the design, construction, and testing will be used to characterize environmental performance, identify and address technical risks, reassess commercial plant economics, and develop design information for a demonstration plant planned to follow the proposed Prototype. A cold flow model of the prototype will be used to predict operating conditions for the prototype and help in operator training. Operation of the prototype will provide operator experience with this new technology and performance data of the LCL-C™ process, which will be applied to the commercial design and economics and plan for a future demonstration

Simulation and validation of chemical-looping combustion using ASPEN plus

Energy Technology Data Exchange (ETDEWEB)

Zhou, Ling [Research Center of Fluid Machinery Engineering and Technology, Jiangsu University, Zhenjiang 212013 (China); Department of Mechanical Engineering and Materials Science, Washington University, St. Louis, MO 63130 (United States); Zhang, Zheming; Agarwal, Ramesh K. [Department of Mechanical Engineering and Materials Science, Washington University, St. Louis, MO 63130 (United States)

2013-07-01

Laboratory-scale experimental studies have demonstrated that Chemical-Looping Combustion (CLC) is an advanced technology which holds great potential for high-efficiency low-cost carbon capture. The generated syngas in CLC is subsequently oxidized to CO2 and H2O by reaction with an oxygen carrier. In this paper, process-level models of CLC are established in ASPEN Plus code for detailed simulations. The entire CLC process, from the beginning of coal gasification to reduction and oxidation of the oxygen carrier is modeled. The heat content of each major component such as fuel and air reactors and air/flue gas heat exchangers is carefully examined. Large amount of energy is produced in the fuel reactor, but energy needs to be supplied to the air reactor. The overall performance and efficiency of the modeled CLC systems are also evaluated.

Reactor design, cold-model experiment and CFD modeling for chemical looping combustion

Energy Technology Data Exchange (ETDEWEB)

Zhang, Shaohua; Ma, Jinchen; Hu, Xintao; Zhao, Haibo; Wang, Baowen; Zheng, Chuguang [Huazhong Univ. of Science and Technology, Wuhan (China). State Key Lab. of Coal Combustion

2013-07-01

Chemical looping combustion (CLC) is an efficient, clean and cheap technology for CO{sub 2} capture, and an interconnected fluidized bed is more appropriate solution for CLC. This paper aims to design a reactor system for CLC, carry out cold-model experiment of the system, and model fuel reactor using commercial CFD software. As for the CLC system, the air reactor (AR) is designed as a fast fluidized bed while the fuel reactor (FR) is a bubbling bed; a cyclone is used for solid separation of the AR exit flow. The AR and FR are separated by two U-type loop seals to remain gas sealed. Considered the chemical kinetics of oxygen carrier, fluid dynamics, pressure balance and mass balance of the system simultaneously, some key design parameters of a CH{sub 4}-fueled and Fe{sub 2}O{sub 3}/Al{sub 2}O{sub 3}-based CLC reactor (thermal power of 50 kWth) are determined, including key geometric parameters (reactor cross-sectional area and reactor height) and operation parameters (bed material quantity, solid circulation rate, apparent gas velocity of each reactor). A cold-model bench having same geometric parameters with its prototype is built up to study the effects of various operation conditions (including gas velocity in the reactors and loop seals, and bed material height, etc.) on the solids circulation rate, gas leakage, and pressure balance. It is witnessed the cold-model system is able to meet special requirements for CLC system such as gas sealing between AR and FR, the circulation rate and particles residence time. Furthermore, the thermal FR reactor with oxygen carrier of Fe{sub 2}O{sub 3}/Al{sub 2}O{sub 3} and fuel of CH{sub 4} is simulated by commercial CFD solver FLUENT. It is found that for the design case the combustion efficiency of CH{sub 4} reaches 88.2%. A few part of methane is unburned due to fast, large bubbles rising through the reactor.

Exergy Analysis of a Syngas-Fueled Combined Cycle with Chemical-Looping Combustion and CO2 Sequestration

Directory of Open Access Journals (Sweden)

Álvaro Urdiales Montesino

2016-08-01

Full Text Available Fossil fuels are still widely used for power generation. Nevertheless, it is possible to attain a short- and medium-term substantial reduction of greenhouse gas emissions to the atmosphere through a sequestration of the CO2 produced in fuels’ oxidation. The chemical-looping combustion (CLC technique is based on a chemical intermediate agent, which gets oxidized in an air reactor and is then conducted to a separated fuel reactor, where it oxidizes the fuel in turn. Thus, the oxidation products CO2 and H2O are obtained in an output flow in which the only non-condensable gas is CO2, allowing the subsequent sequestration of CO2 without an energy penalty. Furthermore, with shrewd configurations, a lower exergy destruction in the combustion chemical transformation can be achieved. This paper focus on a second law analysis of a CLC combined cycle power plant with CO2 sequestration using syngas from coal and biomass gasification as fuel. The key thermodynamic parameters are optimized via the exergy method. The proposed power plant configuration is compared with a similar gas turbine system with a conventional combustion, finding a notable increase of the power plant efficiency. Furthermore, the influence of syngas composition on the results is investigated by considering different H2-content fuels.

Rational Design of Mixed-Metal Oxides for Chemical Looping Combustion of Coal via Coupled Computational-Experimental Studies

Energy Technology Data Exchange (ETDEWEB)

Mishra, Amit [North Carolina State Univ., Raleigh, NC (United States); Li, Fanxing [North Carolina State Univ., Raleigh, NC (United States); Santiso, Erik [North Carolina State Univ., Raleigh, NC (United States)

2017-09-18

Energy and global climate change are two grand challenges to the modern society. An urgent need exists for development of clean and efficient energy conversion processes. The chemical looping strategy, which utilizes regenerable oxygen carriers (OCs) to indirectly convert carbonaceous fuels via redox reactions, is considered to be one of the more promising approaches for CO2 capture by the U.S. Department of Energy (USDOE). To date, most long-term chemical looping operations were conducted using gaseous fuels, even though direct conversion of coal is more desirable from both economics and CO2 capture viewpoints. The main challenges for direct coal conversion reside in the stringent requirements on oxygen carrier performances. In addition, coal char and volatile compounds are more challenging to convert than gaseous fuels. A promising approach for direct conversion of coal is the so called chemical looping with oxygen uncoupling (CLOU) technique. In the CLOU process, a metal oxide that decomposes at the looping temperature, and releases oxygen to the gas phase is used as the OC. The overarching objective of this project was to discover the fundamental principles for rational design and optimization of oxygen carriers (OC) in coal chemical looping combustion (CLC) processes. It directly addresses Topic Area B of the funding opportunity announcement (FOA) in terms of “predictive description of the phase behavior and mechanical properties” of “mixed metal oxide” based OCs and rational development of new OC materials with superior functionality. This was achieved through studies exploring i) iron-containing mixed-oxide composites as oxygen carriers for CLOU, ii) Ca1-xAxMnO3-δ (A = Sr and Ba) as oxygen carriers for CLOU, iii) CaMn1-xBxO3-δ (B=Al, V, Fe, Co, and Ni) as oxygen carrier for CLOU and iv) vacancy creation energy in Mn-containing perovskites as an indicator chemical looping with oxygen uncoupling.

Importance of spinel reaction kinetics in packed-bed chemical looping combustion using a CuO/Al2O3 oxygen carrier

NARCIS (Netherlands)

San Pio, M.A.; Sabatino, F.; Gallucci, F.; van Sint Annaland, M.

2018-01-01

Chemical looping combustion is especially competitive for electrical power generation with integrated CO2 capture when it is operated at high temperatures (1000–1200 °C) and high pressures (15 bar or higher). For these demanding conditions, dynamically operated packed bed reactors have been

CaMn0.875Ti0.125O3 as oxygen carrier for chemical-looping combustion with oxygen uncoupling (CLOU)—Experiments in a continuously operating fluidized-bed reactor system

KAUST Repository

Rydé n, Magnus; Lyngfelt, Anders; Mattisson, Tobias

2011-01-01

Particles of the perovskite material CaMn0.875Ti0.125O3 has been examined as oxygen carrier for chemical-looping with oxygen uncoupling, and for chemical-looping combustion of natural gas, by 70h of experiments in a circulating fluidized-bed reactor

Metal ferrite oxygen carriers for chemical looping combustion of solid fuels

Science.gov (United States)

Siriwardane, Ranjani V.; Fan, Yueying

2017-01-31

The disclosure provides a metal ferrite oxygen carrier for the chemical looping combustion of solid carbonaceous fuels, such as coal, coke, coal and biomass char, and the like. The metal ferrite oxygen carrier comprises MFe.sub.xO.sub.y on an inert support, where MFe.sub.xO.sub.y is a chemical composition and M is one of Mg, Ca, Sr, Ba, Co, Mn, and combinations thereof. For example, MFe.sub.xO.sub.y may be one of MgFe.sub.2O.sub.4, CaFe.sub.2O.sub.4, SrFe.sub.2O.sub.4, BaFe.sub.2O.sub.4, CoFe.sub.2O.sub.4, MnFeO.sub.3, and combinations thereof. The MFe.sub.xO.sub.y is supported on an inert support. The inert support disperses the MFe.sub.xO.sub.y oxides to avoid agglomeration and improve performance stability. In an embodiment, the inert support comprises from about 5 wt. % to about 60 wt. % of the metal ferrite oxygen carrier and the MFe.sub.xO.sub.y comprises at least 30 wt. % of the metal ferrite oxygen carrier. The metal ferrite oxygen carriers disclosed display improved reduction rates over Fe.sub.2O.sub.3, and improved oxidation rates over CuO.

Chemical looping combustion. Fuel conversion with inherent CO2 capture

Energy Technology Data Exchange (ETDEWEB)

Brandvoll, Oeyvind

2005-07-01

Chemical looping combustion (CLC) is a new concept for fuel energy conversion with CO2 capture. In CLC, fuel combustion is split into separate reduction and oxidation processes, in which a solid carrier is reduced and oxidized, respectively. The carrier is continuously recirculated between the two vessels, and hence direct contact between air and fuel is avoided. As a result, a stoichiometric amount of oxygen is transferred to the fuel by a regenerable solid intermediate, and CLC is thus a variant of oxy-fuel combustion. In principle, pure CO2 can be obtained from the reduction exhaust by condensation of the produced water vapour. The thermodynamic potential and feasibility of CLC has been studied by means of process simulations and experimental studies of oxygen carriers. Process simulations have focused on parameter sensitivity studies of CLC implemented in 3 power cycles; CLC-Combined Cycle, CLC-Humid Air Turbine and CLC-Integrated Steam Generation. Simulations indicate that overall fuel conversion ratio, oxidation temperature and operating pressure are among the most important process parameters in CLC. A promising thermodynamic potential of CLC has been found, with efficiencies comparable to, - or better than existing technologies for CO2 capture. The proposed oxygen carrier nickel oxide on nickel spinel (NiONiAl) has been studied in reduction with hydrogen, methane and methane/steam as well as oxidation with dry air. It has been found that at atmospheric pressure and temperatures above 600 deg C, solid reduction with dry methane occurs with overall fuel conversion of 92%. Steam methane reforming is observed along with methane cracking as side reactions, yielding an overall selectivity of 90% with regard to solid reduction. If steam is added to the reactant fuel, coking can be avoided. A methodology for long-term investigation of solid chemical activity in a batch reactor is proposed. The method is based on time variables for oxidation. The results for Ni

Computational fluid dynamics simulation for chemical looping combustion of coal in a dual circulation fluidized bed

International Nuclear Information System (INIS)

Su, Mingze; Zhao, Haibo; Ma, Jinchen

2015-01-01

Highlights: • CFD simulation of a 5 kW_t_h CLC reactor of coal was conducted. • Gas leakage, flow pattern and combustion efficiency of the reactor was analyzed. • Optimal condition was achieved based on operation characteristics understanding. - Abstract: A dual circulation fluidized bed system is widely accepted for chemical looping combustion (CLC) for enriching CO_2 from the utilization of fossil fuels. Due to the limitations of the measurement, the details of multiphase reactive flows in the interconnected fluidized bed reactors are difficult to obtain. Computational Fluid Dynamics (CFD) simulation provides a promising method to understand the hydrodynamics, chemical reaction, and heat and mass transfers in CLC reactors, which are very important for the rational design, optimal operation, and scaling-up of the CLC system. In this work, a 5 kW_t_h coal-fired CLC dual circulation fluidized bed system, which was developed by our research group, was first simulated for understanding gas leakage, flow pattern and combustion efficiency. The simulation results achieved good agreement with the experimental measurements, which validates the simulation model. Subsequently, to improve the combustion efficiency, a new operation condition was simulated by increasing the reactor temperature and decreasing the coal feeding. An improvement in the combustion efficiency was attained, and the simulation results for the new operation condition were also validated by the experimental measurements in the same CLC combustor. All of the above processes demonstrated the validity and usefulness of the simulation results to improve the CLC reactor operation.

Recovery Act: Novel Oxygen Carriers for Coal-fueled Chemical Looping

Energy Technology Data Exchange (ETDEWEB)

Pan, Wei-Ping; Cao, Yan

2012-11-30

Chemical Looping Combustion (CLC) could totally negate the necessity of pure oxygen by using oxygen carriers for purification of CO{sub 2} stream during combustion. It splits the single fuel combustion reaction into two linked reactions using oxygen carriers. The two linked reactions are the oxidation of oxygen carriers in the air reactor using air, and the reduction of oxygen carriers in the fuel reactor using fuels (i.e. coal). Generally metal/metal oxides are used as oxygen carriers and operated in a cyclic mode. Chemical looping combustion significantly improves the energy conversion efficiency, in terms of the electricity generation, because it improves the reversibility of the fuel combustion process through two linked parallel processes, compared to the conventional combustion process, which is operated far away from its thermo-equilibrium. Under the current carbon-constraint environment, it has been a promising carbon capture technology in terms of fuel combustion for power generation. Its disadvantage is that it is less mature in terms of technological commercialization. In this DOE-funded project, accomplishment is made by developing a series of advanced copper-based oxygen carriers, with properties of the higher oxygen-transfer capability, a favorable thermodynamics to generate high purity of CO{sub 2}, the higher reactivity, the attrition-resistance, the thermal stability in red-ox cycles and the achievement of the auto-thermal heat balance. This will be achieved into three phases in three consecutive years. The selected oxygen carriers with final-determined formula were tested in a scaled-up 10kW coal-fueled chemical looping combustion facility. This scaled-up evaluation tests (2-day, 8-hour per day) indicated that, there was no tendency of agglomeration of copper-based oxygen carriers. Only trace-amount of coke or carbon deposits on the copper-based oxygen carriers in the fuel reactor. There was also no evidence to show the sulphidization of oxygen

The energetic performance of a novel hybrid solar thermal and chemical looping combustion plant

International Nuclear Information System (INIS)

Jafarian, Mehdi; Arjomandi, Maziar; Nathan, Graham J.

2014-01-01

Highlights: • A hybrid solar chemical looping combustion power cycle is reported. • The cycle is studied for two configurations, with and without an after-burner. • The oxygen carrier particles are used as storage medium for solar thermal energy. • Total solar shares of 41.4% and 60% are achieved with and without the after-burner. • Efficiencies of 50% and 44.0% are achieved with and without the after-burner. - Abstract: The overall energetic performance of a gas turbine combined cycle powered by a hybrid cycle between a solar thermal and a chemical looping combustion (CLC) system firing methane is reported for two configurations. In one case, the outlet from the air reactor is fed directly to a gas turbine, while in the other an after-burner, also firing methane, is added to increase the gas turbine inlet temperature. The cycle is simulated using Aspen Plus software for the average diurnal profile of normal irradiance for Port Augusta, South Australia. The first law efficiency, total solar absorption efficiency, average and peak fractional power boosts, total solar share, net solar to electrical efficiency, fraction of pressurised CO 2 , incremental CO 2 avoidance and the exergy efficiency for both cycles are reported. The calculations predict a first law efficiency of 50.0% for the cycle employing an after-burner, compared with 44.0% for that without the after-burner. However, this is achieved at the cost of decreasing the solar share from 60.0%, without the after-burner, to 41.4% with it. Also reported is the sensitivity analysis of performance to variations in key operating parameters. The sensitivity analysis shows that further improvements to the performance of the cycle are possible

Integration of solid oxide fuel cell (SOFC) and chemical looping combustion (CLC) for ultra-high efficiency power generation and CO2 production

NARCIS (Netherlands)

Spallina, Vincenzo; Nocerino, Pasquale; Romano, Matteo C.; van Sint Annaland, Martin; Campanari, Stefano; Gallucci, Fausto

2018-01-01

This work presents a thermodynamic analysis of the integration of solid oxide fuel cells (SOFCs) with chemical looping combustion (CLC) in natural gas power plants. The fundamental idea of the proposed process integration is to use a dual fluidized-bed CLC process to complete the oxidation of the

Chemical-looping combustion as a new CO{sub 2} management technology

Energy Technology Data Exchange (ETDEWEB)

Mattisson, Tobias; Lyngfelt, Anders [Chalmers Univ. of Technology, Goeteborg (Sweden). Dept. of Energy and Environment; Zafar, Qamar; Johansson, Marcus [Chalmers Univ. of Technology, Goeteborg (Sweden). Dept. of Chemical and Biological Engineering

2006-05-15

Chemical-looping combustion (CLC) is a combustion technology with inherent separation of the greenhouse gas CO{sub 2}. The technique involves the use of a metal oxide as an oxygen carrier which transfers oxygen from combustion air to the fuel, and hence a direct contact between air and fuel is avoided. Two inter-connected fluidized beds, a fuel reactor and an air reactor, are used in the process. In the fuel reactor, the metal oxide is reduced by the reaction with the fuel and in the air reactor; the reduced metal oxide is oxidized with air. The outlet gas from the fuel reactor consists of CO{sub 2} and H{sub 2}O, and almost pure stream of CO{sub 2} is obtained when water is condensed. Considerable research has been conducted on CLC in the last decade with respect to oxygen carrier development, reactor design, system efficiencies and prototype testing. The technique has been demonstrated successfully with both natural gas and syngas as fuel in continuous prototype reactors based on interconnected fluidized beds within the size range 0.3-50 kW, using different types of oxygen carriers based on the metals Ni, Co, Fe, Cu and Mn. From these tests it can be established that almost complete conversion of the fuel can be obtained and 100% CO{sub 2} capture is possible at a low cost. Further, work is going on to adapt the technique for use with solid fuels and for hydrogen production. This paper presents an overview of the research performed on CLC and highlights the current status of the technology.

A Study on the Role of Reaction Modeling in Multi-phase CFD-based Simulations of Chemical Looping Combustion; Impact du modele de reaction sur les simulations CFD de la combustion en boucle chimique

Energy Technology Data Exchange (ETDEWEB)

Kruggel-Emden, H.; Stepanek, F. [Department of Chemical Engineering, South Kensington Campus, Imperial College London, SW7 2AZ, London (United Kingdom); Kruggel-Emden, H.; Munjiza, A. [Department of Engineering, Queen Mary, University of London, Mile End Road, E1 4NS, London (United Kingdom)

2011-03-15

Chemical Looping Combustion is an energy efficient combustion technology for the inherent separation of carbon dioxide for both gaseous and solid fuels. For scale up and further development of this process multi-phase CFD-based simulations have a strong potential which rely on kinetic models for the solid/gaseous reactions. Reaction models are usually simple in structure in order to keep the computational cost low. They are commonly derived from thermogravimetric experiments. With only few CFD-based simulations performed on chemical looping combustion, there is a lack in understanding of the role and of the sensitivity of the applied chemical reaction model on the outcome of a simulation. The aim of this investigation is therefore the study of three different carrier materials CaSO{sub 4}, Mn{sub 3}O{sub 4} and NiO with the gaseous fuels H{sub 2} and CH{sub 4} in a batch type reaction vessel. Four reaction models namely the linear shrinking core, the spherical shrinking core, the Avrami-Erofeev and a recently proposed multi parameter model are applied and compared on a case by case basis. (authors)

Rotary Bed Reactor for Chemical-Looping Combustion with Carbon Capture. Part 1: Reactor Design and Model Development

KAUST Repository

Zhao, Zhenlong

2013-01-17

Chemical-looping combustion (CLC) is a novel and promising technology for power generation with inherent CO2 capture. Currently, almost all of the research has been focused on developing CLC-based interconnected fluidized-bed reactors. In this two-part series, a new rotary reactor concept for gas-fueled CLC is proposed and analyzed. In part 1, the detailed configuration of the rotary reactor is described. In the reactor, a solid wheel rotates between the fuel and air streams at the reactor inlet and exit. Two purging sectors are used to avoid the mixing between the fuel stream and the air stream. The rotary wheel consists of a large number of channels with copper oxide coated on the inner surface of the channels. The support material is boron nitride, which has high specific heat and thermal conductivity. Gas flows through the reactor at elevated pressure, and it is heated to a high temperature by fuel combustion. Typical design parameters for a thermal capacity of 1 MW have been proposed, and a simplified model is developed to predict the performances of the reactor. The potential drawbacks of the rotary reactor are also discussed. © 2012 American Chemical Society.

Development of Computational Approaches for Simulation and Advanced Controls for Hybrid Combustion-Gasification Chemical Looping

Energy Technology Data Exchange (ETDEWEB)

Joshi, Abhinaya; Lou, Xinsheng; Neuschaefer, Carl; Chaudry, Majid; Quinn, Joseph

2012-07-31

This document provides the results of the project through September 2009. The Phase I project has recently been extended from September 2009 to March 2011. The project extension will begin work on Chemical Looping (CL) Prototype modeling and advanced control design exploration in preparation for a scale-up phase. The results to date include: successful development of dual loop chemical looping process models and dynamic simulation software tools, development and test of several advanced control concepts and applications for Chemical Looping transport control and investigation of several sensor concepts and establishment of two feasible sensor candidates recommended for further prototype development and controls integration. There are three sections in this summary and conclusions. Section 1 presents the project scope and objectives. Section 2 highlights the detailed accomplishments by project task area. Section 3 provides conclusions to date and recommendations for future work.

Use of Hopcalite derived Cu-Mn mixed oxide as Oxygen Carrier for Chemical Looping with Oxygen Uncoupling Process

OpenAIRE

Adánez-Rubio, Iñaki; Abad Secades, Alberto; Gayán Sanz, Pilar; Adánez-Rubio, Imanol; Diego Poza, Luis F. de; Garcia-Labiano, Francisco; Adánez Elorza, Juan

2016-01-01

Chemical-Looping with Oxygen Uncoupling (CLOU) is an alternative Chemical Looping process for the combustion of solid fuels with inherent CO2 capture. The CLOU process needs a material as oxygen carrier with the ability to give gaseous O2 at suitable temperatures for solid fuel combustion, e.g. copper oxide and manganese oxide. In this work, treated commercial Carulite 300® was evaluated as oxygen carrier for CLOU. Carulite 300® is a hopcalite material composed of 29.2 wt.% CuO and 67.4 wt.% ...

A hybrid solar and chemical looping combustion system for solar thermal energy storage

International Nuclear Information System (INIS)

Jafarian, Mehdi; Arjomandi, Maziar; Nathan, Graham J.

2013-01-01

Highlights: ► A novel solar–CLC hybrid system is proposed which integrates a CLC with solar thermal energy. ► The oxygen carrier particles are used as storage medium for thermal energy storage. ► A solar cavity reactor is proposed for fuel reactor. ► The absorbed solar energy is stored in the particles to produce a base heat load. -- Abstract: A novel hybrid of a solar thermal energy and a chemical looping combustion (CLC) system is proposed here, which employs the oxygen carrier particles in a CLC system to provide diurnal thermal energy storage for concentrated solar thermal energy. In taking advantage of the chemical and sensible energy storage systems that are an inherent part of a CLC system, this hybrid offers potential to achieve cost effective, base load power generation for solar energy. In the proposed system, three reservoirs have been added to a conventional CLC system to allow storage of the oxygen carrier particles, while a cavity solar receiver has been chosen for the fuel reactor. The performance of the system is evaluated using ASPEN PLUS software, with the model being validated using independent simulation result reported previously. Operating temperature, solar efficiency, solar fraction, exergy efficiency and the fraction of the solar thermal energy stored for a based load power generation application are reported.

CFD analysis of bubble hydrodynamics in a fuel reactor for a hydrogen-fueled chemical looping combustion system

International Nuclear Information System (INIS)

Harichandan, Atal Bihari; Shamim, Tariq

2014-01-01

Highlights: • Computational study of the fuel reactor of chemical looping combustion technology. • The results yield better understanding of the bubble hydrodynamics in fuel reactor. • Increasing the reactor bed length increases the conversion rate. • Small oxygen carrier particles improves the conversion rate. - Abstract: This study investigates the temporal development of bubble hydrodynamics in the fuel reactor of a hydrogen-fueled chemical looping combustion (CLC) system by using a computational model. The model also investigates the molar fraction of products in gas and solid phases. The study assists in developing a better understanding of the CLC process, which has many advantages such as being a potentially promising candidate for an efficient carbon dioxide capture technology. The study employs the kinetic theory of granular flow. The reactive fluid dynamic system of the fuel reactor is customized by incorporating the kinetics of an oxygen carrier reduction into a commercial computational fluid dynamics (CFD) code. An Eulerian multiphase treatment is used to describe the continuum two-fluid model for both gas and solid phases. CaSO 4 and H 2 are used as an oxygen carrier and a fuel, respectively. The computational results are validated with the experimental and numerical results available in the open literature. The CFD simulations are found to capture the features of the bubble formation, rise and burst in unsteady and quasi-steady states very well. The results show a significant increase in the conversion rate with higher dense bed height, lower bed width, higher free board height and smaller oxygen carrier particles which upsurge an overall performance of the CLC plant

Chemical Looping Combustion of Hematite Ore with Methane and Steam in a Fluidized Bed Reactor

Directory of Open Access Journals (Sweden)

Samuel Bayham

2017-08-01

Full Text Available Chemical looping combustion is considered an indirect method of oxidizing a carbonaceous fuel, utilizing a metal oxide oxygen carrier to provide oxygen to the fuel. The advantage is the significantly reduced energy penalty for separating out the CO2 for reuse or sequestration in a carbon-constrained world. One of the major issues with chemical looping combustion is the cost of the oxygen carrier. Hematite ore is a proposed oxygen carrier due to its high strength and resistance to mechanical attrition, but its reactivity is rather poor compared to tailored oxygen carriers. This problem is further exacerbated by methane cracking, the subsequent deposition of carbon and the inability to transfer oxygen at a sufficient rate from the core of the particle to the surface for fuel conversion to CO2. Oxygen needs to be readily available at the surface to prevent methane cracking. The purpose of this work was to demonstrate the use of steam to overcome this issue and improve the conversion of the natural gas to CO2, as well as to provide data for computational fluid dynamics (CFD validation. The steam will gasify the deposited carbon to promote the methane conversion. This work studies the performance of hematite ore with methane and steam mixtures in a 5 cm fluidized bed up to approximately 140 kPa. Results show an increased conversion of methane in the presence of steam (from 20–45% without steam to 60–95% up to a certain point, where performance decreases. Adding steam allows the methane conversion to carbon dioxide to be similar to the overall methane conversion; it also helped to prevent carbon accumulation from occurring on the particle. In general, the addition of steam to the feed gas increased the methane conversion. Furthermore, the addition of steam caused the steam methane reforming reaction to form more hydrogen and carbon monoxide at higher steam and methane concentrations, which was not completely converted at higher concentrations and

Process/Equipment Co-Simulation on Syngas Chemical Looping Process

Energy Technology Data Exchange (ETDEWEB)

Zeng, Liang; Zhou, Qiang; Fan, Liang-Shih

2012-09-30

The chemical looping strategy for fossil energy applications promises to achieve an efficient energy conversion system for electricity, liquid fuels, hydrogen and/or chemicals generation, while economically separate CO{sub 2} by looping reaction design in the process. Chemical looping particle performance, looping reactor engineering, and process design and applications are the key drivers to the success of chemical looping process development. In order to better understand and further scale up the chemical looping process, issues such as cost, time, measurement, safety, and other uncertainties need to be examined. To address these uncertainties, advanced reaction/reactor modeling and process simulation are highly desired and the modeling efforts can accelerate the chemical looping technology development, reduce the pilot-scale facility design time and operating campaigns, as well as reduce the cost and technical risks. The purpose of this work is thus to conduct multiscale modeling and simulations on the key aspects of chemical looping technology, including particle reaction kinetics, reactor design and operation, and process synthesis and optimization.

Design and evaluation of an IGCC power plant using iron-based syngas chemical-looping (SCL) combustion

International Nuclear Information System (INIS)

Sorgenfrei, Max; Tsatsaronis, George

2014-01-01

Highlights: • A new concept for power generation including carbon capture was found. • The air reactor temperature significantly influences the net efficiency. • The use of a CO 2 turbine decreases the net efficiency. • Compared to a conventional IGCC with 90% CO 2 capture the net efficiency increases. - Abstract: Chemical-looping combustion (CLC) is a novel and promising combustion technology with inherent separation of the greenhouse gas CO 2 . This paper focuses on the design and thermodynamic evaluation of an integrated gasification combined-cycle (IGCC) process using syngas chemical looping (SCL) combustion for generating electricity. The syngas is provided by coal gasification; the gas from the gasifier is cleaned using high-temperature gas desulfurization (HGD). In this study, the oxygen carrier iron oxide (Fe 2 O 3 ) is selected to oxidize the syngas in a multistage moving-bed reactor. The resulting reduced iron particles then consist of FeO and Fe 3 O 4 . To create a closed-cycle operation, these particles are partially re-oxidized with steam in a fluidized-bed regenerator to pure Fe 3 O 4 and then fully re-oxidized in a fluidized-bed air combustor to Fe 2 O 3 . One advantage of this process is the co-production of hydrogen diluted with water vapor within the steam regenerator. Both the HGD and CLC systems are not under commercial operation so far. This mixture is fed to a gas turbine for the purpose of generating electricity. The gas turbine is expected to exhibit low NO x emissions due to the high ratio of water in the combustion chamber. Cooling the flue gas in the HRSG condenses the water vapor to yield high-purity CO 2 for subsequent compression and disposal. To evaluate the net efficiency, two conventional syngas gasifiers are considered, namely the BGL slagging gasifier and the Shell entrained-flow gasifier. The option of using a CO 2 turbine after the SCL-fuel reactor is also investigated. A sensitivity analysis is performed on the SCL

Calcium and chemical looping technology for power generation and carbon dioxide (CO2) capture solid oxygen- and CO2-carriers

CERN Document Server

Fennell, Paul

2015-01-01

Calcium and Chemical Looping Technology for Power Generation and Carbon Dioxide (CO2) Capture reviews the fundamental principles, systems, oxygen carriers, and carbon dioxide carriers relevant to chemical looping and combustion. Chapters review the market development, economics, and deployment of these systems, also providing detailed information on the variety of materials and processes that will help to shape the future of CO2 capture ready power plants. Reviews the fundamental principles, systems, oxygen carriers, and carbon dioxide carriers relevant to calcium and chemical loopingProvi

Simulations of a Circulating Fluidized Bed Chemical Looping Combustion System Utilizing Gaseous Fuel; Simulation de la combustion en boucle chimique d'une charge gazeuse dans un lit fluidise circulant

Energy Technology Data Exchange (ETDEWEB)

Mahalatkar, K.; Kuhlman, J. [West Virginia University, Dept. of Mechanical and Aerospace Engineering, Morgantown, WV, 26506 (United States); Mahalatkar, K. [ANSYS Inc., 3647 Collins Ferry Road Suite A, Morgantown, WV, 26505 (United States); Kuhlman, J.; Huckaby, E.D.; O' Brien, T. [National Energy Technology Laboratory, 3610 Collins Ferry Road, Morgantown, WV, 26507 (United States)

2011-03-15

Numerical studies using Computational Fluid Dynamics (CFD) have been carried out for a complete circulating fluidized bed chemical looping combustor described in the literature (Abad et al., 2006 Fuel 85, 1174-1185). There have been extensive experimental studies in Chemical Looping Combustion (CLC), however CFD simulations of this concept are quite limited. The CLC experiments that were simulated used methane as fuel. A 2-D continuum model was used to describe both the gas and solid phases. Detailed sub-models to account for fluid-particle and particle-particle interaction forces were included. Global models of fuel and carrier chemistry were utilized. The results obtained from CFD were compared with experimental outlet species concentrations, solid circulation rates, solid mass distribution in the reactors, and leakage and dilution rates. The transient CFD simulations provided a reasonable match with the reported experimental data. (authors)

CaMn0.875Ti0.125O3 as oxygen carrier for chemical-looping combustion with oxygen uncoupling (CLOU)—Experiments in a continuously operating fluidized-bed reactor system

KAUST Repository

Rydén, Magnus

2011-03-01

Particles of the perovskite material CaMn0.875Ti0.125O3 has been examined as oxygen carrier for chemical-looping with oxygen uncoupling, and for chemical-looping combustion of natural gas, by 70h of experiments in a circulating fluidized-bed reactor system. For the oxygen uncoupling experiments, it was found that the particles released O2 in gas phase at temperatures above 720°C when the fuel reactor was fluidized with CO2. The effect increased with increased temperature, and with the O2 partial pressure in the air reactor. At 950°C, the O2 concentration in the outlet from the fuel reactor was in the order of 4.0vol%, if the particles were oxidized in air. For the chemical-looping combustion experiments the combustion efficiency with standard process parameters was in the order of 95% at 950°C, using 1000kg oxygen carrier per MW natural gas, of which about 30% was located in the fuel reactor. Reducing the fuel flow so that 1900kg oxygen carrier per MW natural gas was used improved the combustion efficiency to roughly 99.8%. The particles retained their physical properties, reactivity with CH4 and ability to release gas-phase O2 reasonably well throughout the testing period and there were no problems with the fluidization or formation of solid carbon in the reactor. X-ray diffraction showed that the particles underwent changes in their phase composition though. © 2010 Elsevier Ltd.

Chemical-looping combustion in a reverse-flow fixed bed reactor

International Nuclear Information System (INIS)

Han, Lu; Bollas, George M.

2016-01-01

A reverse-flow fixed bed reactor concept for CLC (chemical-looping combustion) is explored. The limitations of conventional fixed bed reactors, as applied to CLC, are overcome by reversing the gas flow direction periodically to enhance the mixing characteristics of the bed, thus improving oxygen carrier utilization and energy efficiency with respect to power generation. The reverse-flow reactor is simulated by a dusty-gas model and compared with an equivalent fixed bed reactor without flow reversal. Dynamic optimization is used to calculate conditions at which each reactor operates at maximum energy efficiency. Several cases studies illustrate the benefits of reverse-flow operation for the CLC with CuO and NiO oxygen carriers and methane and syngas fuels. The results show that periodic reversal of the flow during reduction improves the contact between the fuel and unconverted oxygen carrier, enabling the system to suppress unwanted catalytic reactions and axial temperature and conversion gradients. The operational scheme presented reduces the fluctuations of temperature during oxidation and increases the high-temperature heat produced by the process. CLC in a reverse-flow reactor has the potential to achieve higher energy efficiency than conventional fixed bed CLC reactors, when integrated with a downstream gas turbine of a combined cycle power plant. - Highlights: • Reverse-flow fixed bed CLC reactors for combined cycle power systems. • Dynamic optimization tunes operation of batch and transient CLC systems. • The reverse-flow CLC system provides stable turbine-ready gas stream. • Reverse-flow CLC fixed bed reactor has superior CO 2 capture and thermal efficiency.

Chemical looping reactor system design double loop circulating fluidized bed (DLCFB)

Energy Technology Data Exchange (ETDEWEB)

Bischi, Aldo

2012-05-15

Chemical looping combustion (CLC) is continuously gaining more importance among the carbon capture and storage (CCS) technologies. It is an unmixed combustion process which takes place in two steps. An effective way to realize CLC is to use two interconnected fluidized beds and a metallic powder circulating among them, acting as oxygen carrier. The metallic powder oxidizes at high temperature in one of the two reactors, the air reactor (AR). It reacts in a highly exothermic reaction with the oxygen of the injected fluidising air. Afterwards the particles are sent to the other reactor where the fuel is injected, the fuel reactor (FR). There, they transport heat and oxygen necessary for the reaction with the injected fuel to take place. At high temperatures, the particle's oxygen reacts with the fuel producing Co2 and steam, and the particles are ready to start the loop again. The overall reaction, the sum of the enthalpy changes of the oxygen carrier oxidation and reduction reactions, is the same as for the conventional combustion. Two are the key features, which make CLC promising both for costs and capture efficiency. First, the high inherent irreversibility of the conventional combustion is avoided because the energy is utilized stepwise. Second, the Co2 is intrinsically separated within the process; so there is in principle no need either of extra carbon capture devices or of expensive air separation units to produce oxygen for oxy-combustion. A lot of effort is taking place worldwide on the development of new chemical looping oxygen carrier particles, reactor systems and processes. The current work is focused on the reactor system: a new design is presented, for the construction of an atmospheric 150kWth prototype working with gaseous fuel and possibly with inexpensive oxygen carriers derived from industrial by-products or natural minerals. It consists of two circulating fluidized beds capable to operate in fast fluidization regime; this will increase the

Analysis of exergy loss of gasoline surrogate combustion process based on detailed chemical kinetics

International Nuclear Information System (INIS)

Sun, Hongjie; Yan, Feng; Yu, Hao; Su, W.H.

2015-01-01

Highlights: • We explored the exergy loss sources of gasoline engine like combustion process. • The model combined non-equilibrium thermodynamics with detailed chemical kinetics. • We explored effects of initial conditions on exergy loss of combustion process. • Exergy loss decreases 15% of fuel chemical exergy by design of initial conditions. • Correspondingly, the second law efficiency increases from 38.9% to 68.9%. - Abstract: Chemical reaction is the most important source of combustion irreversibility in premixed conditions, but details of the exergy loss mechanisms have not been explored yet. In this study numerical analysis based on non-equilibrium thermodynamics combined with detailed chemical kinetics is conducted to explore the exergy loss mechanism of gasoline engine like combustion process which is simplified as constant volume combustion. The fuel is represented by the common accepted gasoline surrogates which consist of four components: iso-octane (57%), n-heptane (16%), toluene (23%), and 2-pentene (4%). We find that overall exergy loss is mainly composed of three peaks along combustion generated from chemical reactions in three stages, the conversion from large fuel molecules into small molecules (as Stage 1), the H 2 O 2 loop-related reactions (as Stage 2), and the violent oxidation reactions of CO, H, and O (as Stage 3). The effects of individual combustion boundaries, including temperature, pressure, equivalence ratio, oxygen concentration, on combustion exergy loss have been widely investigated. The combined effects of combustion boundaries on the total loss of gasoline surrogates are also investigated. We find that in a gasoline engine with a compression ratio of 10, the total loss can be reduced from 31.3% to 24.3% using lean combustion. The total loss can be further reduced to 22.4% by introducing exhaust gas recirculation and boosting the inlet charge. If the compression ratio is increased to 17, the total loss can be decreased to

A reduced fidelity model for the rotary chemical looping combustion reactor

KAUST Repository

Iloeje, Chukwunwike O.

2017-01-11

The rotary chemical looping combustion reactor has great potential for efficient integration with CO capture-enabled energy conversion systems. In earlier studies, we described a one-dimensional rotary reactor model, and used it to demonstrate the feasibility of continuous reactor operation. Though this detailed model provides a high resolution representation of the rotary reactor performance, it is too computationally expensive for studies that require multiple model evaluations. Specifically, it is not ideal for system-level studies where the reactor is a single component in an energy conversion system. In this study, we present a reduced fidelity model (RFM) of the rotary reactor that reduces computational cost and determines an optimal combination of variables that satisfy reactor design requirements. Simulation results for copper, nickel and iron-based oxygen carriers show a four-order of magnitude reduction in simulation time, and reasonable prediction accuracy. Deviations from the detailed reference model predictions range from 3% to 20%, depending on oxygen carrier type and operating conditions. This study also demonstrates how the reduced model can be modified to deal with both optimization and design oriented problems. A parametric study using the reduced model is then applied to analyze the sensitivity of the optimal reactor design to changes in selected operating and kinetic parameters. These studies show that temperature and activation energy have a greater impact on optimal geometry than parameters like pressure or feed fuel fraction for the selected oxygen carrier materials.

Coal gasification integration with solid oxide fuel cell and chemical looping combustion for high-efficiency power generation with inherent CO2 capture

International Nuclear Information System (INIS)

Chen, Shiyi; Lior, Noam; Xiang, Wenguo

2015-01-01

Highlights: • A novel power system integrating coal gasification with SOFC and chemical looping combustion. • The plant net power efficiency reaches 49.8% with complete CO 2 separation. • Energy and exergy analysis of the entire plant is conducted. • Sensitivity analysis shows a nearly constant power output when SOFC temperature and pressure vary. • NiO oxygen carrier shows higher plant efficiency than using Fe 2 O 3 and CuO. - Abstract: Since solid oxide fuel cells (SOFC) produce electricity with high energy conversion efficiency, and chemical looping combustion (CLC) is a process for fuel conversion with inherent CO 2 separation, a novel combined cycle integrating coal gasification, solid oxide fuel cell, and chemical looping combustion was configured and analyzed. A thermodynamic analysis based on energy and exergy was performed to investigate the performance of the integrated system and its sensitivity to major operating parameters. The major findings include that (1) the plant net power efficiency reaches 49.8% with ∼100% CO 2 capture for SOFC at 900 °C, 15 bar, fuel utilization factor = 0.85, fuel reactor temperature = 900 °C and air reactor temperature = 950 °C, using NiO as the oxygen carrier in the CLC unit. (2) In this parameter neighborhood the fuel utilization factor, the SOFC temperature and SOFC pressure have small effects on the plant net power efficiency because changes in pressure and temperature that increase the power generation by the SOFC tend to decrease the power generation by the gas turbine and steam cycle, and v.v.; an advantage of this system characteristic is that it maintains a nearly constant power output even when the temperature and pressure vary. (3) The largest exergy loss is in the gasification process, followed by those in the CO 2 compression and the SOFC. (4) Compared with the CLC Fe 2 O 3 and CuO oxygen carriers, NiO results in higher plant net power efficiency. To the authors’ knowledge, this is the first

Chemical Pollution from Combustion of Modern Spacecraft Materials

Science.gov (United States)

Mudgett, Paul D.

2013-01-01

Fire is one of the most critical contingencies in spacecraft and any closed environment including submarines. Currently, NASA uses particle based technology to detect fires and hand-held combustion product monitors to track the clean-up and restoration of habitable cabin environment after the fire is extinguished. In the future, chemical detection could augment particle detection to eliminate frequent nuisance false alarms triggered by dust. In the interest of understanding combustion from both particulate and chemical generation, NASA Centers have been collaborating on combustion studies at White Sands Test Facility using modern spacecraft materials as fuels, and both old and new technology to measure the chemical and particulate products of combustion. The tests attempted to study smoldering pyrolysis at relatively low temperatures without ignition to flaming conditions. This paper will summarize the results of two 1-week long tests undertaken in 2012, focusing on the chemical products of combustion. The results confirm the key chemical products are carbon monoxide (CO), hydrogen cyanide (HCN), hydrogen fluoride (HF) and hydrogen chloride (HCl), whose concentrations depend on the particular material and test conditions. For example, modern aerospace wire insulation produces significant concentration of HF, which persists in the test chamber longer than anticipated. These compounds are the analytical targets identified for the development of new tunable diode laser based hand-held monitors, to replace the aging electrochemical sensor based devices currently in use on the International Space Station.

Combustion flame-plasma hybrid reactor systems, and chemical reactant sources

Science.gov (United States)

Kong, Peter C

2013-11-26

Combustion flame-plasma hybrid reactor systems, chemical reactant sources, and related methods are disclosed. In one embodiment, a combustion flame-plasma hybrid reactor system comprising a reaction chamber, a combustion torch positioned to direct a flame into the reaction chamber, and one or more reactant feed assemblies configured to electrically energize at least one electrically conductive solid reactant structure to form a plasma and feed each electrically conductive solid reactant structure into the plasma to form at least one product is disclosed. In an additional embodiment, a chemical reactant source for a combustion flame-plasma hybrid reactor comprising an elongated electrically conductive reactant structure consisting essentially of at least one chemical reactant is disclosed. In further embodiments, methods of forming a chemical reactant source and methods of chemically converting at least one reactant into at least one product are disclosed.

Viability of fuel switching of a gas-fired power plant operating in chemical looping combustion mode

International Nuclear Information System (INIS)

Basavaraja, R.J.; Jayanti, S.

2015-01-01

CLC (chemical looping combustion) promises to be a more efficient way of CO 2 capture than conventional oxy-fuel combustion or post-combustion absorption. While much work has been done on CLC in the past two decades, the issue of multi-fuel compatibility has not been addressed sufficiently, especially with regard to plant layout and reactor design. In the present work, it is shown that this is non-trivial in the case of a CLC-based power plant. The underlying factors have been examined in depth and design criteria for fuel compatibility have been formulated. Based on these, a layout has been developed for a power plant which can run with either natural gas or syngas without requiring equipment changes either on the steam side or on the furnace side. The layout accounts for the higher CO 2 compression costs associated with the use of syngas in place of natural gas. The ideal thermodynamic cycle efficiency, after accounting for the energy penalty of CO 2 compression, is 43.11% and 41.08%, when a supercritical steam cycle is used with natural gas and syngas, respectively. It is shown that fuel switching can be enabled by incorporating the compatibility conditions at the design stage itself. - Highlights: • Concept of fuel sensitivity of plant layout with carbon capture and sequestration. • Power plant layout for natural gas and syngas as fuels. • Criteria for compatibility of air and fuel reactors for dual fuel mode operation. • Layout of a plant for carbon-neutral or carbon negative power generation

Experimental investigation of the chemical looping method on a 1 MW pilot plant; Experimentelle Untersuchung des Chemical Looping Verfahrens an einer 1 MW Versuchsanlage

Energy Technology Data Exchange (ETDEWEB)

Orth, Matthias

2014-08-27

Attempting to counteract the consequences of climate change, leading industrial nations have agreed on reducing their CO{sub 2} emissions significantly. To reach these reduction goals, it is essential to reduce the CO{sub 2} emissions in the field of energy conversion. This PHD thesis covers the field of chemical looping combustion, a technology that uses fossil fuels for energy conversion with inherent capture of CO{sub 2}. Since the research regarding chemical looping had so far focused mainly on lab scale or small scale experiments, a 1 MW pilot plant has been erected at Technische Universitaet Darmstadt in order to investigate the process in a semi-industrial scale and to check the process efficiency with commercially usable equipment. This pilot consists of two interconnected fluidized bed reactors and has an overall height of more than 11 m. In this thesis, some experiments with ilmenite - used as the oxygen carrier - are explained. Furthermore, the design, erection and commissioning of the pilot plant are presented as well as the results of the first test campaigns. The evaluation of the latter proves that the process can be handled in the design configuration and that CO{sub 2} can be safely captured in a pilot plant of this scale.

Thermal and mechanical behaviour of oxygen carrier materials for chemical looping combustion in a packed bed reactor

International Nuclear Information System (INIS)

Jacobs, M.; Van Noyen, J.; Larring, Y.; Mccann, M.; Pishahang, M.; Amini, S.; Ortiz, M.; Galluci, F.; Sint-Annaland, M.V.; Tournigant, D.; Louradour, E.; Snijkers, F.

2015-01-01

Highlights: • Ilmenite-based oxygen carriers were developed for packed-bed chemical looping. • Addition of Mn_2O_3 increased mechanical strength and microstructure of the carriers. • Oxygen carriers were able to withstand creep and thermal cycling up to 1200 °C. • Ilmenite-based granules are a promising shape for packed-bed reactor conditions. - Abstract: Chemical looping combustion (CLC) is a promising carbon capture technology where cyclic reduction and oxidation of a metallic oxide, which acts as a solid oxygen carrier, takes place. With this system, direct contact between air and fuel can be avoided, and so, a concentrated CO_2 stream is generated after condensation of the water in the exit gas stream. An interesting reactor system for CLC is a packed bed reactor as it can have a higher efficiency compared to a fluidized bed concept, but it requires other types of oxygen carrier particles. The particles must be larger to avoid a large pressure drop in the reactor and they must be mechanically strong to withstand the severe reactor conditions. Therefore, oxygen carriers in the shape of granules and based on the mineral ilmenite were subjected to thermal cycling and creep tests. The mechanical strength of the granules before and after testing was investigated by crush tests. In addition, the microstructure of these oxygen particles was studied to understand the relationship between the physical properties and the mechanical performance. It was found that the granules are a promising shape for a packed bed reactor as no severe degradation in strength was noticed upon thermal cycling and creep testing. Especially, the addition of Mn_2O_3 to the ilmenite, which leads to the formation of an iron–manganese oxide, seems to results in stronger granules than the other ilmenite-based granules.

Chemical kinetics and combustion modeling

Energy Technology Data Exchange (ETDEWEB)

Miller, J.A. [Sandia National Laboratories, Livermore, CA (United States)

1993-12-01

The goal of this program is to gain qualitative insight into how pollutants are formed in combustion systems and to develop quantitative mathematical models to predict their formation rates. The approach is an integrated one, combining low-pressure flame experiments, chemical kinetics modeling, theory, and kinetics experiments to gain as clear a picture as possible of the process in question. These efforts are focused on problems involved with the nitrogen chemistry of combustion systems and on the formation of soot and PAH in flames.

A reduced fidelity model for the rotary chemical looping combustion reactor

International Nuclear Information System (INIS)

Iloeje, Chukwunwike O.; Zhao, Zhenlong; Ghoniem, Ahmed F.

2017-01-01

Highlights: • Methodology for developing a reduced fidelity rotary CLC reactor model is presented. • The reduced model determines optimal reactor configuration that meets design and operating requirements. • A 4-order of magnitude reduction in computational cost is achieved with good prediction accuracy. • Sensitivity studies demonstrate importance of accurate kinetic parameters for reactor optimization. - Abstract: The rotary chemical looping combustion reactor has great potential for efficient integration with CO_2 capture-enabled energy conversion systems. In earlier studies, we described a one-dimensional rotary reactor model, and used it to demonstrate the feasibility of continuous reactor operation. Though this detailed model provides a high resolution representation of the rotary reactor performance, it is too computationally expensive for studies that require multiple model evaluations. Specifically, it is not ideal for system-level studies where the reactor is a single component in an energy conversion system. In this study, we present a reduced fidelity model (RFM) of the rotary reactor that reduces computational cost and determines an optimal combination of variables that satisfy reactor design requirements. Simulation results for copper, nickel and iron-based oxygen carriers show a four-order of magnitude reduction in simulation time, and reasonable prediction accuracy. Deviations from the detailed reference model predictions range from 3% to 20%, depending on oxygen carrier type and operating conditions. This study also demonstrates how the reduced model can be modified to deal with both optimization and design oriented problems. A parametric study using the reduced model is then applied to analyze the sensitivity of the optimal reactor design to changes in selected operating and kinetic parameters. These studies show that temperature and activation energy have a greater impact on optimal geometry than parameters like pressure or feed fuel

Analysis of thermally coupled chemical looping combustion-based power plants with carbon capture

KAUST Repository

Iloeje, Chukwunwike

2015-04-01

© 2015 Elsevier Ltd. A number of CO2 capture-enabled power generation technologies have been proposed to address the negative environmental impact of CO2 emission. One important barrier to adopting these technologies is the associated energy penalty. Chemical-looping Combustion (CLC) is an oxy-combustion technology that can significantly lower this penalty. It utilizes an oxygen carrier to transfer oxygen from air/oxidizing stream in an oxidation reactor to the fuel in a reduction reactor. Conventional CLC reactor designs employ two separate reactors, with metal/metal oxide particles circulating pneumatically in-between. One of the key limitations of these designs is the entropy generation due to reactor temperature difference, which lowers the cycle efficiency. Zhao et al. (Zhao et al., 2014; Zhao and Ghoniem, 2014) proposed a new CLC rotary reactor design, which overcomes this limitation. This reactor consists of a single rotating wheel with micro-channels designed to maintain thermal equilibrium between the fuel and air sides. This study uses three thermodynamic models of increasing fidelity to demonstrate that the internal thermal coupling in the rotary CLC reactor creates the potential for improved cycle efficiency. A theoretical availability model and an ideal thermodynamic cycle model are used to define the efficiency limits of CLC systems, illustrate the impact of reactor thermal coupling and discuss relevant criteria. An Aspen Plus® model of a regenerative CLC cycle is then used to show that this thermal coupling raises the cycle efficiency by up to 2% points. A parametric study shows that efficiency varies inversely with pressure, with a maximum of 51% at 3bar, 1000C and 60% at 4bar, 1400C. The efficiency increases with CO2 fraction at high pressure ratios but exhibits a slight inverse dependence at low pressure ratios. The parametric study shows that for low purge steam demand, steam generation improves exhaust heat recovery and increases efficiency

Closed loop solar chemical heat pipe

International Nuclear Information System (INIS)

Levy, M.; Levitan, R.; Rosin, H.; Rubin, R.

1991-01-01

The system used for the closed loop operation of the solar chemical heat pipe comprises a reformer, heated by the solar furnace, a methanator and a storage assembly containing a compressor and storage cylinders. (authors). 7 figs

Combustion driven NF3 chemical laser

International Nuclear Information System (INIS)

1975-01-01

Stable, inert, non-corrosive nitrogen trifluoride gas and an inorganic source of hydrogen or deuterium gas are used as reactants in a compact combustion driven chemical laser. Nitrogen trifluoride is introduced into the combustion chamber of a chemical laser together with a hydrogen source selected from hydrogen, hydrazine, ammonia, acetylene, or benzene and the deuterated isotopes thereof and an optional inert diluent gas wherein the nitrogen trifluoride and the hydrogen- or deuterium-source gas hypergolically reacted upon heating to initiation temperature. Dissociated products from the reaction pass into a laser cavity at supersonic velocities where they are reacted with a source gas which is the isotopic opposite of the gas introduced into the combustor and which has been heated by regenerative cooling. Excited molecules of hydrogen fluoride or deuterium fluoride produce laser radiation which leaves the optical resonator cavity transversely to the flow of gases

Theoretical Adiabatic Temperature and Chemical Composition of Sodium Combustion Flame

International Nuclear Information System (INIS)

Okano, Yasushi; Yamaguchi, Akira

2003-01-01

Sodium fire safety analysis requires fundamental combustion properties, e.g., heat of combustion, flame temperature, and composition. We developed the GENESYS code for a theoretical investigation of sodium combustion flame.Our principle conclusions on sodium combustion under atmospheric air conditions are (a) the maximum theoretical flame temperature is 1950 K, and it is not affected by the presence of moisture; the uppermost limiting factor is the chemical instability of the condensed sodium-oxide products under high temperature; (b) the main combustion product is liquid Na 2 O in dry air condition and liquid Na 2 O with gaseous NaOH in moist air; and (c) the chemical equilibrium prediction of the residual gaseous reactants in the flame is indispensable for sodium combustion modeling

Operation of the NETL Chemical Looping Reactor with Natural Gas and a Novel Copper-Iron Material

Energy Technology Data Exchange (ETDEWEB)

Bayham, Sanuel [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Straub, Doug [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Weber, Justin [National Energy Technology Lab. (NETL), Morgantown, WV (United States)

2017-02-01

As part of the U.S. Department of Energy’s Advanced Combustion Program, the National Energy Technology Laboratory’s Research and Innovation Center (NETL R&IC) is investigating the feasibility of a novel combustion concept in which the GHG emissions can be significantly reduced. This concept involves burning fuel and air without mixing these two reactants. If this concept is technically feasible, then CO₂ emissions can be significantly reduced at a much lower cost than more conventional approaches. This indirect combustion concept has been called Chemical Looping Combustion (CLC) because an intermediate material (i.e., a metaloxide) is continuously cycled to oxidize the fuel. This CLC concept is the focus of this research and will be described in more detail in the following sections.

Combustion behaviour of ultra clean coal obtained by chemical demineralisation

Energy Technology Data Exchange (ETDEWEB)

F. Rubiera; A. Arenillas; B. Arias; J.J. Pis; I. Suarez-Ruiz; K.M. Steel; J.W. Patrick [Instituto Nacional del Carbon, CSIC, Oviedo (Spain)

2003-10-01

The increasing environmental concern caused by the use of fossil fuels and the concomitant need for improved combustion efficiency is leading to the development of new coal cleaning and utilisation processes. However, the benefits achieved by the removal of most mineral matter from coal either by physical or chemical methods can be annulled if poor coal combustibility characteristics are attained. In this work a high volatile bituminous coal with 6% ash content was subjected to chemical demineralisation via hydrofluoric and nitric acid leaching, the ash content of the clean coal was reduced to 0.3%. The original and treated coals were devolatilised in a drop tube furnace and the structure and morphology of the resultant chars was analysed by optical and scanning electron microscopies. The reactivity characteristics of the chars were studied by isothermal combustion tests in air at different temperatures in a thermogravimetric system. Comparison of the combustion behaviour and pollutant emissions of both coals was conducted in a drop tube furnace operating at 1000{sup o}C. The results of this work indicate that the char obtained from the chemically treated coal presents very different structure, morphology and reactivity behaviour than the char from the original coal. The changes induced by the chemical treatment increased the combustion efficiency determined in the drop tube furnace, in fact higher burnout levels were obtained for the demineralised coal.

Reduced Chemical Kinetic Mechanisms for JP-8 Combustion

National Research Council Canada - National Science Library

Montgomery, Christopher J; Cannon, S. M; Mawid, M. A; Sekar, B

2002-01-01

Using CARM (Computer Aided Reduction Method), a computer program that automates the mechanism reduction process, six different reduced chemical kinetic mechanisms for JP-8 combustion have been generated...

Off-design performance of a chemical looping combustion (CLC) combined cycle: effects of ambient temperature

Science.gov (United States)

Chi, Jinling; Wang, Bo; Zhang, Shijie; Xiao, Yunhan

2010-02-01

The present work investigates the influence of ambient temperature on the steady-state off-design thermodynamic performance of a chemical looping combustion (CLC) combined cycle. A sensitivity analysis of the CLC reactor system was conducted, which shows that the parameters that influence the temperatures of the CLC reactors most are the flow rate and temperature of air entering the air reactor. For the ambient temperature variation, three off-design control strategies have been assumed and compared: 1) without any Inlet Guide Vane (IGV) control, 2) IGV control to maintain air reactor temperature and 3) IGV control to maintain constant fuel reactor temperature, aside from fuel flow rate adjusting. Results indicate that, compared with the conventional combined cycle, due to the requirement of pressure balance at outlet of the two CLC reactors, CLC combined cycle shows completely different off-design thermodynamic characteristics regardless of the control strategy adopted. For the first control strategy, temperatures of the two CLC reactors both rise obviously as ambient temperature increases. IGV control adopted by the second and the third strategy has the effect to maintain one of the two reactors' temperatures at design condition when ambient temperature is above design point. Compare with the second strategy, the third would induce more severe decrease of efficiency and output power of the CLC combined cycle.

Rotary Bed Reactor for Chemical-Looping Combustion with Carbon Capture. Part 2: Base Case and Sensitivity Analysis

KAUST Repository

Zhao, Zhenlong

2013-01-17

Part 1 (10.1021/ef3014103) of this series describes a new rotary reactor for gas-fueled chemical-looping combustion (CLC), in which, a solid wheel with microchannels rotates between the reducing and oxidizing streams. The oxygen carrier (OC) coated on the surfaces of the channels periodically adsorbs oxygen from air and releases it to oxidize the fuel. A one-dimensional model is also developed in part 1 (10.1021/ef3014103). This paper presents the simulation results based on the base-case design parameters. The results indicate that both the fuel conversion efficiency and the carbon separation efficiency are close to unity. Because of the relatively low reduction rate of copper oxide, fuel conversion occurs gradually from the inlet to the exit. A total of 99.9% of the fuel is converted within 75% of the channel, leading to 25% redundant length near the exit, to ensure robustness. In the air sector, the OC is rapidly regenerated while consuming a large amount of oxygen from air. Velocity fluctuations are observed during the transition between sectors because of the complete reactions of OCs. The gas temperature increases monotonically from 823 to 1315 K, which is mainly determined by the solid temperature, whose variations with time are limited within 20 K. The overall energy in the solid phase is balanced between the reaction heat release, conduction, and convective cooling. In the sensitivity analysis, important input parameters are identified and varied around their base-case values. The resulting changes in the model-predicted performance revealed that the most important parameters are the reduction kinetics, the operating pressure, and the feed stream temperatures. © 2012 American Chemical Society.

Simulation of the Fuel Reactor of a Coal-Fired Chemical Looping Combustor

Science.gov (United States)

Mahalatkar, Kartikeya; O'Brien, Thomas; Huckaby, E. David; Kuhlman, John

2009-06-01

Responsible carbon management (CM) will be required for the future utilization of coal for power generation. CO2 separation is the more costly component of CM, not sequestration. Most methods of capture require a costly process of gas separation to obtain a CO2-rich gas stream. However, recently a process termed Chemical Looping Combustion (CLC) has been proposed, in which an oxygen-carrier is used to provide the oxygen for combustion. This process quite naturally generates a separate exhaust gas stream containing mainly H2O and CO2 but requires two reaction vessels, an Air Reactor (AR) and a Fuel Reactor (FR). The carrier (M for metal, the usual carrier) is oxidized in the AR. This highly exothermic process provides heat for power generation. The oxidized carrier (MO) is separated from this hot, vitiated air stream and transported to the FR where it oxidizes the hydrocarbon fuel, yielding an exhaust gas stream of mainly H2O and CO2. This process is usually slightly endothermic so that the carrier must also transport the necessary heat of reaction. The reduced carrier (M) is then returned to the air reactor for regeneration, hence the term "looping." The net chemical reaction and energy release is identical to that of conventional combustion of the fuel. However, CO2 separation is easily achieved, the only operational penalty being the slight pressure losses required to circulate the carrier. CLC requires many unit operations involving gas-solid or granular flow. To utilize coal in the fuel reactor, in either a moving bed or bubbling fluidized bed, the granular flow is especially critical. The solid coal fuel must be heated by the recycled metal oxide, driving off moisture and volatile material. The remaining char must be gasified by H2O (or CO2), which is recycled from the product stream. The gaseous product of these reactions must then contact the MO before leaving the bed to obtain complete conversion to H2O and CO2. Further, the reduced M particles must be

Analysis of energy cascade utilization in a chemically recuperated scramjet with indirect combustion

International Nuclear Information System (INIS)

Qin, Jiang; Cheng, Kunlin; Zhang, Silong; Zhang, Duo; Bao, Wen; Han, Jiecai

2016-01-01

The working process of scramjet with regenerative cooling, which was actually the chemical recuperation process, was analyzed in view of energy cascade utilization. The indirect combustion was realized through pyrolysis reaction of fuel. The relative yields of thermal exergy obtained by indirect combustion have been predicted both assuming an ideal pyrolysis reaction and using the experimental results of thermal pyrolysis of n-decane. The results showed that the influence mechanism of regenerative cooling improved the scramjet engine performance by the energy cascade utilization, and the combustion process was supposed to be designed with the cooling process together to utilize the chemical energy of fuel in a more effective way. A maximum value of 11% of the relative yield was obtained with the ideal pyrolysis reaction while a value less than 3% existed in the thermal pyrolysis experiments because of the domination of chemical kinetics rather than chemical thermodynamics in the real experiments. In spite of the difference between the ideal and the present experimental results, the indirect combustion was prospective to achieve a better energy cascade utilization in a chemically recuperated scramjet if the pyrolysis reaction was further optimized. The results in this paper were beneficial for the performance optimization of a regenerative cooling scramjet. - Highlights: • A new method of energy cascade utilization in a chemically recuperated scramjet. • 11% exergy loss is reduced by ideal pyrolysis reaction with indirect combustion. • Regenerative cooling with chemical recuperation can improve engine performance.

Gas-solids kinetics of CuO/Al2O3 as an oxygen carrier for high-pressure chemical looping processes : the influence of the total pressure

NARCIS (Netherlands)

San Pio Bordeje, M.A.; Gallucci, F.; Roghair, I.; van Sint Annaland, M.

2017-01-01

Copper oxide on alumina is often used as oxygen carrier for chemical looping combustion owing to its very high reduction rates at lower temperatures and its very good mechanical and chemical stability at not too high temperatures. In this work, the redox kinetics of CuO/Al2O3 have been studied at

Analysis of Combined Cycle Power Plants with Chemical Looping Reforming of Natural Gas and Pre-Combustion CO2 Capture

Directory of Open Access Journals (Sweden)

Shareq Mohd Nazir

2018-01-01

Full Text Available In this paper, a gas-fired combined cycle power plant subjected to a pre-combustion CO2 capture method has been analysed under different design conditions and different heat integration options. The power plant configuration includes the chemical looping reforming (CLR of natural gas (NG, water gas shift (WGS process, CO2 capture and compression, and a hydrogen fuelled combined cycle to produce power. The process is denoted as a CLR-CC process. One of the main parameters that affects the performance of the process is the pressure for the CLR. The process is analysed at different design pressures for the CLR, i.e., 5, 10, 15, 18, 25 and 30 bar. It is observed that the net electrical efficiency increases with an increase in the design pressure in the CLR. Secondly, the type of steam generated from the cooling of process streams also effects the net electrical efficiency of the process. Out of the five different cases including the base case presented in this study, it is observed that the net electrical efficiency of CLR-CCs can be improved to 46.5% (lower heating value of NG basis by producing high-pressure steam through heat recovery from the pre-combustion process streams and sending it to the Heat Recovery Steam Generator in the power plant.

Simulations of a Circulating Fluidized Bed Chemical Looping Combustion System Utilizing Gaseous Fuel Simulation de la combustion en boucle chimique d’une charge gazeuse dans un lit fluidisé circulant

Directory of Open Access Journals (Sweden)

Mahalatkar K.

2011-05-01

Full Text Available Numerical studies using Computational Fluid Dynamics (CFD have been carried out for a complete circulating fluidized bed chemical looping combustor described in the literature (Abad et al., 2006 Fuel 85, 1174-1185. There have been extensive experimental studies in Chemical Looping Combustion (CLC, however CFD simulations of this concept are quite limited. The CLC experiments that were simulated used methane as fuel. A 2-D continuum model was used to describe both the gas and solid phases. Detailed sub-models to account for fluid-particle and particleparticle interaction forces were included. Global models of fuel and carrier chemistry were utilized. The results obtained from CFD were compared with experimental outlet species concentrations, solid circulation rates, solid mass distribution in the reactors, and leakage and dilution rates. The transient CFD simulations provided a reasonable match with the reported experimental data. Des études numériques de simulation des écoulements (CFD ont été réalisées sur un lit fluidisé circulant opérant en combustion par boucle chimique (CLC décrit dans la littérature (Abad et al., 2006 Fuel 85, 1174-1185. Si de nombreuses études expérimentales ont été conduites pour étudier le procédé CLC, les études concernant la simulation des écoulements par CFD de ce concept sont très limitées. Le système de combustion en boucle chimique simulé dans cette étude concerne la combustion d’une charge gazeuse (méthane. Un modèle 2-D à deux phases continues a été utilisé pour décrire les phases gaz et solide avec des sous-modèles détaillés pour décrire les forces d’interactions entre fluideparticule et particule-particule. Des modèles cinétiques globaux ont été intégrés pour décrire les réactions de combustion et de transformation du matériau transporteur d’oxygène. Les résultats obtenus par CFD ont été comparés aux concentrations expérimentales mesurées des diff

Experimental investigation of the chemical looping method on a 1 MW pilot plant

International Nuclear Information System (INIS)

Orth, Matthias

2014-01-01

Attempting to counteract the consequences of climate change, leading industrial nations have agreed on reducing their CO 2 emissions significantly. To reach these reduction goals, it is essential to reduce the CO 2 emissions in the field of energy conversion. This PHD thesis covers the field of chemical looping combustion, a technology that uses fossil fuels for energy conversion with inherent capture of CO 2 . Since the research regarding chemical looping had so far focused mainly on lab scale or small scale experiments, a 1 MW pilot plant has been erected at Technische Universitaet Darmstadt in order to investigate the process in a semi-industrial scale and to check the process efficiency with commercially usable equipment. This pilot consists of two interconnected fluidized bed reactors and has an overall height of more than 11 m. In this thesis, some experiments with ilmenite - used as the oxygen carrier - are explained. Furthermore, the design, erection and commissioning of the pilot plant are presented as well as the results of the first test campaigns. The evaluation of the latter proves that the process can be handled in the design configuration and that CO 2 can be safely captured in a pilot plant of this scale.

Experimentelle Untersuchung des Chemical Looping Verfahrens an einer 1 MW Versuchsanlage

OpenAIRE

Orth, Matthias

2014-01-01

Im Zeichen des Klimawandels haben sich führende Industrienationen geeinigt, ihre jeweiligen CO2-Emissionen signifikant zu senken. Diese Reduktionsziele können nur erreicht werden, wenn die Emissionen bei der Energieerzeugung deutlich gesenkt werden. In der vorliegenden Arbeit wird das sogenannte Chemical Looping Verfahren untersucht, bei dem Energie aus fossilen Energieträgern gewonnen und das dabei entstehende CO2 abgeschieden wird. Die aktuelle Forschung im Bereich Chemical Looping konzentr...

Chemical Kinetic Modeling of 2-Methylhexane Combustion

KAUST Repository

Mohamed, Samah Y.

2015-03-30

Accurate chemical kinetic combustion models of lightly branched alkanes (e.g., 2-methylalkanes) are important for investigating the combustion behavior of diesel, gasoline, and aviation fuels. Improving the fidelity of existing kinetic models is a necessity, as new experiments and advanced theories show inaccuracy in certain portions of the models. This study focuses on updating thermodynamic data and kinetic model for a gasoline surrogate fuel, 2-methylhexane, with recently published group values and rate rules. These update provides a better agreement with rapid compression machine measurements of ignition delay time, while also strengthening the fundamental basis of the model.

Design of a rotary reactor for chemical-looping combustion. Part 1: Fundamentals and design methodology

KAUST Repository

Zhao, Zhenlong

2014-04-01

Chemical-looping combustion (CLC) is a novel and promising option for several applications including carbon capture (CC), fuel reforming, H 2 generation, etc. Previous studies demonstrated the feasibility of performing CLC in a novel rotary design with micro-channel structures. In the reactor, a solid wheel rotates between the fuel and air streams at the reactor inlet, and depleted air and product streams at exit. The rotary wheel consists of a large number of micro-channels with oxygen carriers (OC) coated on the inner surface of the channel walls. In the CC application, the OC oxidizes the fuel while the channel is in the fuel zone to generate undiluted CO2, and is regenerated while the channel is in the air zone. In this two-part series, the effect of the reactor design parameters is evaluated and its performance with different OCs is compared. In Part 1, the design objectives and criteria are specified and the key parameters controlling the reactor performance are identified. The fundamental effects of the OC characteristics, the design parameters, and the operating conditions are studied. The design procedures are presented on the basis of the relative importance of each parameter, enabling a systematic methodology of selecting the design parameters and the operating conditions with different OCs. Part 2 presents the application of the methodology to the designs with the three commonly used OCs, i.e., nickel, copper, and iron, and compares the simulated performances of the designs. © 2013 Elsevier Ltd. All rights reserved.

Chemical kinetics and combustion modelling with CFX 4

Energy Technology Data Exchange (ETDEWEB)

Stopford, P [AEA Technology, Computational Fluid Dynamics Services Harwell, Oxfordshire (United Kingdom)

1998-12-31

The presentation describes some recent developments in combustion and kinetics models used in the CFX software of AEA Technology. Three topics are highlighted: the development of coupled solvers in a traditional `SIMPLE`-based CFD code, the use of detailed chemical kinetics mechanism via `look-up` tables and the application of CFD to large-scale multi-burner combustion plant. The aim is identify those physical approximations and numerical methods that are likely to be most useful in the future and those areas where further developments are required. (author) 6 refs.

Chemical kinetics and combustion modelling with CFX 4

Energy Technology Data Exchange (ETDEWEB)

Stopford, P. [AEA Technology, Computational Fluid Dynamics Services Harwell, Oxfordshire (United Kingdom)

1997-12-31

The presentation describes some recent developments in combustion and kinetics models used in the CFX software of AEA Technology. Three topics are highlighted: the development of coupled solvers in a traditional `SIMPLE`-based CFD code, the use of detailed chemical kinetics mechanism via `look-up` tables and the application of CFD to large-scale multi-burner combustion plant. The aim is identify those physical approximations and numerical methods that are likely to be most useful in the future and those areas where further developments are required. (author) 6 refs.

Comparison of different chemical kinetic mechanisms of methane combustion in an internal combustion engine configuration

OpenAIRE

Ennetta Ridha; Hamdi Mohamed; Said Rachid

2008-01-01

Three chemical kinetic mechanisms of methane combustion were tested and compared using the internal combustion engine model of Chemkin 4.02 [1]: one-step global reaction mechanism, four-step mechanism, and the standard detailed scheme GRIMECH 3.0. This study shows good concordances, especially between the four-step and the detailed mechanisms in the prediction of temperature and main species profiles. But reduced schemes were incapables to predict pollutant emissions in an internal combustion...

Operation of the NETL Chemical Looping Reactor with Natural Gas and a Novel Copper-Iron Material

Energy Technology Data Exchange (ETDEWEB)

Straub, Douglas [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Bayham, Samuel [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Weber, Justin [National Energy Technology Lab. (NETL), Morgantown, WV (United States)

2017-02-21

The proposed Clean Power Plan requires CO₂ emission reductions of 30% by 2030 and further reductions are targeted by 2050. The current strategies to achieve the 30% reduction targets do not include options for coal. However, the 2016 Annual Energy Outlook suggests that coal will continue to provide more electricity than renewable sources for many regions of the country in 2035. Therefore, cost effective options to reduce greenhouse gas emissions from fossil fuel power plants are vital in order to achieve greenhouse gas reduction targets beyond 2030. As part of the U.S. Department of Energy’s Advanced Combustion Program, the National Energy Technology Laboratory’s Research and Innovation Center (NETL R&IC) is investigating the feasibility of a novel combustion concept in which the GHG emissions can be significantly reduced. This concept involves burning fuel and air without mixing these two reactants. If this concept is technically feasible, then CO₂ emissions can be significantly reduced at a much lower cost than more conventional approaches. This indirect combustion concept has been called Chemical Looping Combustion (CLC) because an intermediate material (i.e., a metal-oxide) is continuously cycled to oxidize the fuel. This CLC concept is the focus of this research and will be described in more detail in the following sections. The solid material that is used to transport oxygen is called an oxygen carrier material. The cost, durability, and performance of this material is a key issue for the CLC technology. Researchers at the NETL R&IC have developed an oxygen carrier material that consists of copper, iron, and alumina. This material has been tested extensively using lab scale instruments such as thermogravimetric analysis (TGA), scanning electron microscopy (SEM), mechanical attrition (ASTM D5757), and small fluidized bed reactor tests. This report will describe the results from a realistic, circulating, proof-of-concept test that was

Chemical Kinetic Models for Advanced Engine Combustion

Energy Technology Data Exchange (ETDEWEB)

Pitz, William J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Mehl, Marco [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Westbrook, Charles K. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2014-10-22

The objectives for this project are as follows: Develop detailed chemical kinetic models for fuel components used in surrogate fuels for compression ignition (CI), homogeneous charge compression ignition (HCCI) and reactivity-controlled compression-ignition (RCCI) engines; and Combine component models into surrogate fuel models to represent real transportation fuels. Use them to model low-temperature combustion strategies in HCCI, RCCI, and CI engines that lead to low emissions and high efficiency.

Analysis of the chemical equilibrium of combustion at constant volume

Directory of Open Access Journals (Sweden)

Marius BREBENEL

2014-04-01

Full Text Available Determining the composition of a mixture of combustion gases at a given temperature is based on chemical equilibrium, when the equilibrium constants are calculated on the assumption of constant pressure and temperature. In this paper, an analysis of changes occurring when combustion takes place at constant volume is presented, deriving a specific formula of the equilibrium constant. The simple reaction of carbon combustion in pure oxygen in both cases (constant pressure and constant volume is next considered as example of application, observing the changes occurring in the composition of the combustion gases depending on temperature.

Rapid computation of chemical equilibrium composition - An application to hydrocarbon combustion

Science.gov (United States)

Erickson, W. D.; Prabhu, R. K.

1986-01-01

A scheme for rapidly computing the chemical equilibrium composition of hydrocarbon combustion products is derived. A set of ten governing equations is reduced to a single equation that is solved by the Newton iteration method. Computation speeds are approximately 80 times faster than the often used free-energy minimization method. The general approach also has application to many other chemical systems.

Thermogravimetric Analysis of Modified Hematite by Methane (CH{sub 4}) for Chemical-Looping Combustion: A Global Kinetics Mechanism

Energy Technology Data Exchange (ETDEWEB)

Monazam, Esmail R; Breault, Ronald W; Siriwardane, Ranjani; Miller, Duane D

2013-10-01

Iron oxide (Fe{sub 2}O{sub 3}) or in its natural form (hematite) is a potential material to capture CO{sub 2} through the chemical-looping combustion (CLC) process. It is known that magnesium (Mg) is an effective methyl cleaving catalyst and as such it has been combined with hematite to assess any possible enhancement to the kinetic rate for the reduction of Fe{sub 2}O{sub 3} with methane. Therefore, in order to evaluate its effectiveness as a hematite additive, the behaviors of Mg-modified hematite samples (hematite –5% Mg(OH){sub 2}) have been analyzed with regard to assessing any enhancement to the kinetic rate process. The Mg-modified hematite was prepared by hydrothermal synthesis. The reactivity experiments were conducted in a thermogravimetric analyzer (TGA) using continuous stream of CH{sub 4} (5, 10, and 20%) at temperatures ranging from 700 to 825 {degrees}C over ten reduction cycles. The mass spectroscopy analysis of product gas indicated the presence of CO{sub 2}, H{sub 2}O, H{sub 2} and CO in the gaseous product. The kinetic data at reduction step obtained by isothermal experiments could be well fitted by two parallel rate equations. The modified hematite samples showed higher reactivity as compared to unmodified hematite samples during reduction at all investigated temperatures.

Three loop HTL perturbation theory at finite temperature and chemical potential

Energy Technology Data Exchange (ETDEWEB)

Strickland, Michael [Department of Physics, Kent State University, Kent, OH 44242 (United States); Andersen, Jens O. [Department of Physics, Norwegian University of Science and Technology, N-7491 Trondheim (Norway); Bandyopadhyay, Aritra; Haque, Najmul; Mustafa, Munshi G. [Theory Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700064 (India); Su, Nan [Faculty of Physics, University of Bielefeld, D-33615 Bielefeld (Germany)

2014-11-15

In this proceedings contribution we present a recent three-loop hard-thermal-loop perturbation theory (HTLpt) calculation of the thermodynamic potential for a finite temperature and chemical potential system of quarks and gluons. We compare the resulting pressure, trace anomaly, and diagonal/off-diagonal quark susceptibilities with lattice data. We show that there is good agreement between the three-loop HTLpt analytic result and available lattice data.

Solar chemical heat pipe in a closed loop

International Nuclear Information System (INIS)

Levy, M.

1990-06-01

The work on the solar CO 2 reforming of methane was completed. A computer program was developed for simulation of the whole process. The calculations agree reasonably well with the experimental results. The work was written up and submitted for publication in Solar Energy. A methanator was built and tested first with a CO/H 2 mixture from cylinders, and then with the products of the solar reformer. The loop was then closed by recirculating the products from the methanator into the solar reformer. Nine closed loop cycles were performed, so far, with the same original gas mixture. This is the first time that a closed loop solar chemical heat pipe was operated anywhere in the world. (author). 13 refs., 12 figs., 3 tabs

The fate of sulphur in the Cu-based Chemical Looping with Oxygen Uncoupling (CLOU) Process

International Nuclear Information System (INIS)

Adánez-Rubio, Iñaki; Abad, Alberto; Gayán, Pilar; García-Labiano, Francisco; Diego, Luis F. de; Adánez, Juan

2014-01-01

Highlights: • 15 h of CLOU experiments using lignite were carried out in a continuously unit. • The sulphur split between fuel- and air-reactor streams in the process was analysed. • Most of the sulphur introduced with the fuel exits as SO 2 at the fuel-reactor. • The use of a carbon separation system to reduce the S emission was evaluated. • Coals with high S content can be burnt in a CLOU process with a Cu-based material. - Abstract: The Chemical Looping with Oxygen Uncoupling (CLOU) process is a type of Chemical Looping Combustion (CLC) technology that allows the combustion of solid fuels with air, as with conventional combustion, through the use of oxygen carriers that release gaseous oxygen inside the fuel reactor. The aim of this work was to study the behaviour of the sulphur present in fuel during CLOU combustion. Experiments using lignite as fuel were carried out in a continuously operated 1.5 kW th CLOU unit during more than 15 h. Particles containing 60 wt.% CuO on MgAl 2 O 4 , prepared by spray drying, were used as the oxygen carrier in the CLOU process. The temperature in the fuel reactor varied between 900 and 935 °C. CO 2 capture, combustion efficiency and the sulphur split between fuel and air reactor streams in the process were analysed. Complete combustion of the fuel to CO 2 and H 2 O was found in all experiments. Most of the sulphur introduced with the fuel exited as SO 2 at the fuel reactor outlet, although a small amount of SO 2 was measured at the air reactor outlet. The SO 2 concentration in the air reactor exit flow decreased as the temperature in the fuel reactor increased. A carbon capture efficiency of 97.6% was achieved at 935 °C, with 87.9 wt.% of the total sulphur exiting as SO 2 in the fuel reactor. Both the reactivity and oxygen transport capacity of the oxygen carrier were unaffected during operation with a high sulphur content fuel, and agglomeration problems did not occur. Predictions were calculated regarding the use

Nonlinear model predictive control for chemical looping process

Science.gov (United States)

Joshi, Abhinaya; Lei, Hao; Lou, Xinsheng

2017-08-22

A control system for optimizing a chemical looping ("CL") plant includes a reduced order mathematical model ("ROM") that is designed by eliminating mathematical terms that have minimal effect on the outcome. A non-linear optimizer provides various inputs to the ROM and monitors the outputs to determine the optimum inputs that are then provided to the CL plant. An estimator estimates the values of various internal state variables of the CL plant. The system has one structure adapted to control a CL plant that only provides pressure measurements in the CL loops A and B, a second structure adapted to a CL plant that provides pressure measurements and solid levels in both loops A, and B, and a third structure adapted to control a CL plant that provides full information on internal state variables. A final structure provides a neural network NMPC controller to control operation of loops A and B.

Hydrogen production from natural gas using an iron-based chemical looping technology: Thermodynamic simulations and process system analysis

International Nuclear Information System (INIS)

Kathe, Mandar V.; Empfield, Abbey; Na, Jing; Blair, Elena; Fan, Liang-Shih

2016-01-01

Highlights: • Design of iron-based chemical looping process using moving bed for H_2 from CH_4. • Auto-thermal operation design using thermodynamic rationale for 90% carbon capture. • Cold gas efficiency: 5% points higher than Steam Methane Reforming baseline case. • Net thermal efficiency: 6% points higher than Steam Methane Reforming baseline case. • Sensitivity analysis: Energy recovery scheme, operating pressure, no carbon capture. - Abstract: Hydrogen (H_2) is a secondary fuel derived from natural gas. Currently, H_2 serves as an important component in refining operations, fertilizer production, and is experiencing increased utilization in the transportation industry as a clean combustion fuel. In recent years, industry and academia have focused on developing technology that reduces carbon emissions. As a result, there has been an increase in the technological developments for producing H_2 from natural gas. These technologies aim to minimize the cost increment associated with clean energy production. The natural gas processing chemical looping technology, developed at The Ohio State University (OSU), employs an iron-based oxygen carrier and a novel gas–solid counter-current moving bed reactor for H_2 production. Specifically, this study examines the theoretical thermodynamic limits for full conversion of natural gas through iron-based oxygen carrier reactions with methane (CH_4), by utilizing simulations generated with ASPEN modeling software. This study initially investigates the reducer and the oxidizer thermodynamic phase diagrams then derives an optimal auto-thermal operating condition for the complete loop simulation. This complete loop simulation is initially normalized for analysis on the basis of one mole of carbon input from natural gas. The H_2 production rate is then scaled to match that of the baseline study, using a full-scale ASPEN simulation for computing cooling loads, water requirements and net parasitic energy consumption. The

The redox reaction kinetics of Sinai ore for chemical looping combustion applications

International Nuclear Information System (INIS)

Ksepko, Ewelina; Babiński, Piotr; Nalbandian, Lori

2017-01-01

Highlights: • Redox reaction kinetics of Fe-Mn-rich Sinai ore was determined by TGA. • The most suitable model for reduction was D3, while R3 for oxidation. • Activation energies 35.3 and 16.70 kJ/mole were determined for reduction and oxidation. • Repetitive redox reactions favor the formation of spinel phases in Sinai ore. • Multiple redox cycles induce formation of extensive porosity of the particles. - Abstract: The objective of this work was to study the use of Sinai ore, a Fe–Mn-based ore from Egypt, as a low-cost oxygen carrier (OC) in Chemical Looping Combustion (CLC). The Sinai ore was selected because it possesses relatively high amounts of iron and manganese oxides. Furthermore, those oxides have low cost, very favorable environmental and thermodynamic properties for the CLC process. The performance of the Sinai ore as an OC in CLC was compared to that of ilmenite (Norway Tellnes mine), the most extensively studied naturally occurring Fe-based mineral. The kinetics of the reduction and oxidation reactions with the two minerals were studied using a thermogravimetric analyzer (TGA). Experiments were conducted under isothermal conditions, with multiple redox cycles, at temperatures between 750 and 950 °C. For the reduction and oxidation reactions, different concentrations of CH_4 (10–25 vol.%) and O_2 (5–20 vol.%) were applied, respectively. The kinetic parameters, such as the activation energy (E_a), pre-exponential factor (A_0), and reaction order (n), were determined for the redox reactions. Furthermore, models of the redox reactions were selected by means of a model-fitting method. For the Sinai ore, the D3 model (3-dimensional diffusion) was suitable for modeling reduction reaction kinetics. The calculated E_a was 35.3 kJ/mole, and the reaction order was determined to be approximately 0.76. The best fit for the oxidation reaction was obtained for the R3 model (shrinking core). The oxidation (regeneration) reaction E_a was equal to 16

Chemical and ecotoxicological characterization of ashes obtained from sewage sludge combustion in a fluidised-bed reactor.

Science.gov (United States)

Lapa, N; Barbosa, R; Lopes, M H; Mendes, B; Abelha, P; Boavida, D; Gulyurtlu, I; Oliveira, J Santos

2007-08-17

In 1999, the DEECA/INETI and the UBiA/FCT/UNL started a researching project on the partition of heavy metals during the combustion of stabilised sewage sludge (Biogran), in a fluidised-bed reactor, and on the quality of the bottom ashes and fly ashes produced. This project was entitled Bimetal and was funded by the Portuguese Foundation for Science and Technology. In this paper only the results on the combustion of Biogran are reported. The combustion process was performed in two different trials, in which different amounts of sewage sludge and time of combustion were applied. Several ash samples were collected from the bed (bottom ashes) and from two cyclones (first cyclone and second cyclone ashes). Sewage sludge, bed material (sand) and ash samples were submitted to the leaching process defined in the European leaching standard EN 12457-2. The eluates were characterized for a set of inorganic chemical species. The ecotoxicological levels of the eluates were determined for two biological indicators (Vibrio fischeri and Daphnia magna). The results were compared with the limit values of the CEMWE French Regulation. The samples were also ranked according to an index based on the chemical characterization of the eluates. It was observed an increase of the concentration of metals along the combustion system. The ashes trapped in the second cyclone, for both combustion trials, showed the highest concentration of metals in the eluates. Chemically, the ashes of the second cyclone were the most different ones. In the ecotoxicological point of view, the ecotoxicity levels of the eluates of the ashes, for both combustion cycles, did not follow the same pattern as observed for the chemical characterization. The ashes of the first cyclone showed the highest ecotoxicity levels for V. fischeri and D. magna. This difference on chemical and ecotoxicological results proves the need for performing both chemical and ecotoxicological characterizations of the sub-products of such type

Chemical and ecotoxicological characterization of ashes obtained from sewage sludge combustion in a fluidised-bed reactor

Energy Technology Data Exchange (ETDEWEB)

Lapa, N. [Environmental Biotechnology Researching Unit (UBiA), Faculty of Science and Technology (FCT), New University of Lisbon - UNL, Ed. Departamental, piso 3, gabinete 377, Quinta da Torre, 2829-516 Caparica (Portugal)]. E-mail: ncsn@fct.unl.pt; Barbosa, R. [Environmental Biotechnology Researching Unit (UBiA), Faculty of Science and Technology (FCT), New University of Lisbon - UNL, Ed. Departamental, piso 3, gabinete 377, Quinta da Torre, 2829-516 Caparica (Portugal); Lopes, M.H. [National Institute of Engineering, Technology and Innovation (INETI), Department of Energetic Engineering and Environmental Control (DEECA). Edificio J, Estrada do Paco do Lumiar, 22, 1649-038 Lisbon (Portugal); Mendes, B. [Environmental Biotechnology Researching Unit (UBiA), Faculty of Science and Technology (FCT), New University of Lisbon - UNL, Ed. Departamental, piso 3, gabinete 377, Quinta da Torre, 2829-516 Caparica (Portugal); Abelha, P. [National Institute of Engineering, Technology and Innovation (INETI), Department of Energetic Engineering and Environmental Control (DEECA). Edificio J, Estrada do Paco do Lumiar, 22, 1649-038 Lisbon (Portugal); Gulyurtlu, I. [National Institute of Engineering, Technology and Innovation (INETI), Department of Energetic Engineering and Environmental Control (DEECA). Edificio J, Estrada do Paco do Lumiar, 22, 1649-038 Lisbon (Portugal); Santos Oliveira, J. [Environmental Biotechnology Researching Unit (UBiA), Faculty of Science and Technology (FCT), New University of Lisbon - UNL, Ed. Departamental, piso 3, gabinete 377, Quinta da Torre, 2829-516 Caparica (Portugal)

2007-08-17

In 1999, the DEECA/INETI and the UBiA/FCT/UNL started a researching project on the partition of heavy metals during the combustion of stabilised sewage sludge (Biogran[reg]), in a fluidised-bed reactor, and on the quality of the bottom ashes and fly ashes produced. This project was entitled Bimetal and was funded by the Portuguese Foundation for Science and Technology. In this paper only the results on the combustion of Biogran[reg]) are reported. The combustion process was performed in two different trials, in which different amounts of sewage sludge and time of combustion were applied. Several ash samples were collected from the bed (bottom ashes) and from two cyclones (first cyclone and second cyclone ashes). Sewage sludge, bed material (sand) and ash samples were submitted to the leaching process defined in the European leaching standard EN 12457-2. The eluates were characterized for a set of inorganic chemical species. The ecotoxicological levels of the eluates were determined for two biological indicators (Vibrio fischeri and Daphnia magna). The results were compared with the limit values of the CEMWE French Regulation. The samples were also ranked according to an index based on the chemical characterization of the eluates. It was observed an increase of the concentration of metals along the combustion system. The ashes trapped in the second cyclone, for both combustion trials, showed the highest concentration of metals in the eluates. Chemically, the ashes of the second cyclone were the most different ones. In the ecotoxicological point of view, the ecotoxicity levels of the eluates of the ashes, for both combustion cycles, did not follow the same pattern as observed for the chemical characterization. The ashes of the first cyclone showed the highest ecotoxicity levels for V. fischeri and D. magna. This difference on chemical and ecotoxicological results proves the need for performing both chemical and ecotoxicological characterizations of the sub

Chemical and ecotoxicological characterization of ashes obtained from sewage sludge combustion in a fluidised-bed reactor

International Nuclear Information System (INIS)

Lapa, N.; Barbosa, R.; Lopes, M.H.; Mendes, B.; Abelha, P.; Gulyurtlu, I.; Santos Oliveira, J.

2007-01-01

In 1999, the DEECA/INETI and the UBiA/FCT/UNL started a researching project on the partition of heavy metals during the combustion of stabilised sewage sludge (Biogran[reg]), in a fluidised-bed reactor, and on the quality of the bottom ashes and fly ashes produced. This project was entitled Bimetal and was funded by the Portuguese Foundation for Science and Technology. In this paper only the results on the combustion of Biogran[reg]) are reported. The combustion process was performed in two different trials, in which different amounts of sewage sludge and time of combustion were applied. Several ash samples were collected from the bed (bottom ashes) and from two cyclones (first cyclone and second cyclone ashes). Sewage sludge, bed material (sand) and ash samples were submitted to the leaching process defined in the European leaching standard EN 12457-2. The eluates were characterized for a set of inorganic chemical species. The ecotoxicological levels of the eluates were determined for two biological indicators (Vibrio fischeri and Daphnia magna). The results were compared with the limit values of the CEMWE French Regulation. The samples were also ranked according to an index based on the chemical characterization of the eluates. It was observed an increase of the concentration of metals along the combustion system. The ashes trapped in the second cyclone, for both combustion trials, showed the highest concentration of metals in the eluates. Chemically, the ashes of the second cyclone were the most different ones. In the ecotoxicological point of view, the ecotoxicity levels of the eluates of the ashes, for both combustion cycles, did not follow the same pattern as observed for the chemical characterization. The ashes of the first cyclone showed the highest ecotoxicity levels for V. fischeri and D. magna. This difference on chemical and ecotoxicological results proves the need for performing both chemical and ecotoxicological characterizations of the sub

Kinetics of the reduction of hematite (Fe{sub 2}O{sub 3}) by methane (CH{sub 4}) during chemical looping combustion: A global mechanism

Energy Technology Data Exchange (ETDEWEB)

Monazam, Esmail R; Breault, Ronald W; Siriwardane, Ranjani; Richards, George; Carpenter, Stephen

2013-10-01

Chemical-looping combustion (CLC) has emerged as a promising technology for fossil fuel combustion which produces a sequestration ready concentrated CO{sub 2} stream in power production. A CLC system is composed with two reactors, an air and a fuel reactor. An oxygen carrier such as hematite (94%Fe{sub 2}O{sub 3}) circulates between the reactors, which transfers the oxygen necessary for the fuel combustion from the air to the fuel. An important issue for the CLC process is the selection of metal oxide as oxygen carrier, since it must retain its reactivity through many cycles. The primary objective of this work is to develop a global mechanism with respective kinetics rate parameters such that CFD simulations can be performed for large systems. In this study, thermogravimetric analysis (TGA) of the reduction of hematite (Fe{sub 2}O{sub 3}) in a continuous stream of CH{sub 4} (15, 20, and 35%) was conducted at temperatures ranging from 700 to 825{degrees}C over ten reduction cycles. The mass spectroscopy analysis of product gas indicated the presence of CO{sub 2} and H{sub 2}O at the early stage of reaction and H{sub 2} and CO at the final stage of reactions. A kinetic model based on two parallel reactions, 1) first-order irreversible rate kinetics and 2) Avrami equation describing nucleation and growth processes, was applied to the reduction data. It was found, that the reaction rates for both reactions increase with, both, temperature and the methane concentration in inlet gas.

Effect of surface Fe-S hybrid structure on the activity of the perfect and reduced α-Fe2O3(001) for chemical looping combustion

Science.gov (United States)

Xiao, Xianbin; Qin, Wu; Wang, Jianye; Li, Junhao; Dong, Changqing

2018-05-01

Sulfurization of the gradually reduced Fe2O3 surfaces is inevitable while Fe2O3 is used as an oxygen carrier (OC) for coal chemical looping combustion (CLC), which will result in formation of Fe-S hybrid structure on the surfaces. The Fe-S hybrid structure will directly alter the reactivity of the surfaces. Therefore, detailed properties of Fe-S hybrid structure over the perfect and reduced Fe2O3(001) surfaces, and its effect on the interfacial interactions, including CO oxidization and decomposition on the surfaces, were investigated by using density functional theory (DFT) calculations. The S atom prefers to chemically bind to Fe site with electron transfer from the surfaces to the S atom, and a deeper reduction of Fe2O3(001) leads to an increasing interaction between S and Fe. The formation of Fe-S hybrid structure alters the electronic properties of the gradually reduced Fe2O3(001) surfaces, promoting CO oxidation on the surfaces ranging from Fe2O3 to FeO, but depressing carbon deposition on the surfaces ranging from FeO to Fe. The sulfurized FeO acts as a watershed to realize relatively high CO oxidation rate and low carbon deposition. Results provided a fundamental understanding for controlling and optimizing the CLC processes.

Mechanism of Methane Chemical Looping Combustion with Hematite Promoted with CeO ₂

Energy Technology Data Exchange (ETDEWEB)

Miller, Duane D.; Siriwardane, Ranjani

2013-08-15

Chemical looping combustion (CLC) is a promising technology for fossil fuel combustion that produces sequestration-ready CO{sub 2} stream, reducing the energy penalty of CO{sub 2} separation from flue gases. An effective oxygen carrier for CLC will readily react with the fuel gas and will be reoxidized upon contact with oxygen. This study investigated the development of a CeO{sub 2}-promoted Fe{sub 2}O{sub 3}-hematite oxygen carrier suitable for the methane CLC process. Composition of CeO{sub 2} is between 5 and 25 wt % and is lower than what is generally used for supports in Fe{sub 2}O{sub 3} carrier preparations. The incorporation of CeO{sub 2} to the natural ore hematite strongly modifies the reduction behavior in comparison to that of CeO{sub 2} and hematite alone. Temperature-programmed reaction studies revealed that the addition of even 5 wt % CeO{sub 2} enhances the reaction capacity of the Fe{sub 2}O{sub 3} oxygen carrier by promoting the decomposition and partial oxidation of methane. Fixed-bed reactor data showed that the 5 wt % cerium oxides with 95 wt % iron oxide produce 2 times as much carbon dioxide in comparison to the sum of carbon dioxide produced when the oxides were tested separately. This effect is likely due to the reaction of CeO{sub 2} with methane forming intermediates, which are reactive for extracting oxygen from Fe{sub 2}O{sub 3} at a considerably faster rate than the rate of the direct reaction of Fe{sub 2}O{sub 3} with methane. These studies reveal that 5 wt % CeO{sub 2}/Fe{sub 2}O{sub 3} gives stable conversions over 15 reduction/oxidation cycles. Lab-scale reactor studies (pulsed mode) suggest the methane reacts initially with CeO{sub 2} lattice oxygen to form partial oxidation products (CO + H{sub 2}), which continue to react with oxygen from neighboring Fe{sub 2}O{sub 3}, leading to its complete oxidation to form CO{sub 2}. The reduced cerium oxide promotes the methane decomposition reaction to form C + H{sub 2}, which continue to

Challenges in simulation of chemical processes in combustion furnaces

Energy Technology Data Exchange (ETDEWEB)

Hupa, M.; Kilpinen, P. [Aabo Akademi, Turku (Finland)

1996-12-31

The presentation gives an introduction to some of the present issues and problems in treating the complex chemical processes in combustion. The focus is in the coupling of the hydrocarbon combustion process with nitrogen oxide formation and destruction chemistry in practical furnaces or flames. Detailed kinetic modelling based on schemes of elementary reactions are shown to be a useful novel tool for identifying and studying the key reaction paths for nitrogen oxide formation and destruction in various systems. The great importance of the interaction between turbulent mixing and combustion chemistry is demonstrated by the sensitivity of both methane oxidation chemistry and fuel nitrogen conversion chemistry to the reactor and mixing pattern chosen for the kinetic calculations. The fluidized bed combustion (FBC) nitrogen chemistry involves several important heterogeneous reactions. Particularly the char in the bed plays an essential role. Recent research has advanced rapidly and the presentation proposes an overall picture of the fuel nitrogen reaction routes in circulating FBC conditions. (author)

Challenges in simulation of chemical processes in combustion furnaces

Energy Technology Data Exchange (ETDEWEB)

Hupa, M; Kilpinen, P [Aabo Akademi, Turku (Finland)

1997-12-31

The presentation gives an introduction to some of the present issues and problems in treating the complex chemical processes in combustion. The focus is in the coupling of the hydrocarbon combustion process with nitrogen oxide formation and destruction chemistry in practical furnaces or flames. Detailed kinetic modelling based on schemes of elementary reactions are shown to be a useful novel tool for identifying and studying the key reaction paths for nitrogen oxide formation and destruction in various systems. The great importance of the interaction between turbulent mixing and combustion chemistry is demonstrated by the sensitivity of both methane oxidation chemistry and fuel nitrogen conversion chemistry to the reactor and mixing pattern chosen for the kinetic calculations. The fluidized bed combustion (FBC) nitrogen chemistry involves several important heterogeneous reactions. Particularly the char in the bed plays an essential role. Recent research has advanced rapidly and the presentation proposes an overall picture of the fuel nitrogen reaction routes in circulating FBC conditions. (author)

Prediction of Combustion Instability with Detailed Chemical Kinetics

Science.gov (United States)

2014-12-01

of combustion instability. The mechanisms used for methane oxidation are the GRI 1.2 set that comprises of 32 chemical species and 177 reactions. All...with a single step global reaction and the GRI -1.2 kinetics mechanism which contains 177 reactions. The paper is organized as follows, Section II...flame speeds10. GRI -1.2 is a more complete set of hydrocarbon reactions consisting of 177 reactions involving 32 species and was optimized for natural

An optimized chemical kinetic mechanism for HCCI combustion of PRFs using multi-zone model and genetic algorithm

International Nuclear Information System (INIS)

Neshat, Elaheh; Saray, Rahim Khoshbakhti

2015-01-01

Highlights: • A new chemical kinetic mechanism for PRFs HCCI combustion is developed. • New mechanism optimization is performed using genetic algorithm and multi-zone model. • Engine-related combustion and performance parameters are predicted accurately. • Engine unburned HC and CO emissions are predicted by the model properly. - Abstract: Development of comprehensive chemical kinetic mechanisms is required for HCCI combustion and emissions prediction to be used in engine development. The main purpose of this study is development of a new chemical kinetic mechanism for primary reference fuels (PRFs) HCCI combustion, which can be applied to combustion models to predict in-cylinder pressure and exhaust CO and UHC emissions, accurately. Hence, a multi-zone model is developed for HCCI engine simulation. Two semi-detailed chemical kinetic mechanisms those are suitable for premixed combustion are used for n-heptane and iso-octane HCCI combustion simulation. The iso-octane mechanism contains 84 species and 484 reactions and the n-heptane mechanism contains 57 species and 296 reactions. A simple interaction between iso-octane and n-heptane is considered in new mechanism. The multi-zone model is validated using experimental data for pure n-heptane and iso-octane. A new mechanism is prepared by combination of these two mechanisms for n-heptane and iso-octane blended fuel, which includes 101 species and 594 reactions. New mechanism optimization is performed using genetic algorithm and multi-zone model. Mechanism contains low temperature heat release region, which decreases with increasing octane number. The results showed that the optimized chemical kinetic mechanism is capable of predicting engine-related combustion and performance parameters. Also after implementing the optimized mechanism, engine unburned HC and CO emissions predicted by the model are in good agreement with the corresponding experimental data

Chemical Kinetics of Hydrocarbon Ignition in Practical Combustion Systems

International Nuclear Information System (INIS)

Westbrook, C.K.

2000-01-01

Chemical kinetic factors of hydrocarbon oxidation are examined in a variety of ignition problems. Ignition is related to the presence of a dominant chain branching reaction mechanism that can drive a chemical system to completion in a very short period of time. Ignition in laboratory environments is studied for problems including shock tubes and rapid compression machines. Modeling of the laboratory systems are used to develop kinetic models that can be used to analyze ignition in practical systems. Two major chain branching regimes are identified, one consisting of high temperature ignition with a chain branching reaction mechanism based on the reaction between atomic hydrogen with molecular oxygen, and the second based on an intermediate temperature thermal decomposition of hydrogen peroxide. Kinetic models are then used to describe ignition in practical combustion environments, including detonations and pulse combustors for high temperature ignition, and engine knock and diesel ignition for intermediate temperature ignition. The final example of ignition in a practical environment is homogeneous charge, compression ignition (HCCI) which is shown to be a problem dominated by the kinetics intermediate temperature hydrocarbon ignition. Model results show why high hydrocarbon and CO emissions are inevitable in HCCI combustion. The conclusion of this study is that the kinetics of hydrocarbon ignition are actually quite simple, since only one or two elementary reactions are dominant. However, there are many combustion factors that can influence these two major reactions, and these are the features that vary from one practical system to another

Chemical Distances for Percolation of Planar Gaussian Free Fields and Critical Random Walk Loop Soups

Science.gov (United States)

Ding, Jian; Li, Li

2018-06-01

We initiate the study on chemical distances of percolation clusters for level sets of two-dimensional discrete Gaussian free fields as well as loop clusters generated by two-dimensional random walk loop soups. One of our results states that the chemical distance between two macroscopic annuli away from the boundary for the random walk loop soup at the critical intensity is of dimension 1 with positive probability. Our proof method is based on an interesting combination of a theorem of Makarov, isomorphism theory, and an entropic repulsion estimate for Gaussian free fields in the presence of a hard wall.

Chemical source characterization of residential wood combustion emissions in Denver, Colorado; Bakersfield, California; and Mammoth Lakes, California

International Nuclear Information System (INIS)

Houck, J.E.; Goulet, J.M.; Chow, J.C.; Watson, J.G.

1989-01-01

The chemical composition of residential wood combustion particulate emissions was determined for fireplaces and woodstoves. Burn rates, burn patterns, wood burning appliances, and cordwood types characteristic of Denver, Colorado; Bakersfield, California; and Mammoth Lakes, California, were used during sample collection. Samples were collected using a dilution/cooling system to ensure that condensible compounds were captured. Analyses for 44 chemical species were conducted. Source profiles for use in chemical mass balance (CMB) modeling were calculated from the analytical data. The principal chemical species comprising the profiles were organic compounds and elemental carbon. The minor chemical species were sulfur, chlorine, potassium, sodium, calcium, zinc, nitrate, and ammonium. Virtually all potassium was in a water-soluble form, and sulfur emissions between fireplaces and woodstoves were noted. Area-specific source profiles for fireplaces, woodstoves, and overall residential wood combustion are presented

Heat Integration of the Water-Gas Shift Reaction System for Carbon Sequestration Ready IGCC Process with Chemical Looping

Energy Technology Data Exchange (ETDEWEB)

Juan M. Salazara; Stephen E. Zitney; Urmila M. Diwekara

2010-01-01

Integrated gasification combined cycle (IGCC) technology has been considered as an important alternative for efficient power systems that can reduce fuel consumption and CO2 emissions. One of the technological schemes combines water-gas shift reaction and chemical-looping combustion as post gasification techniques in order to produce sequestration-ready CO2 and potentially reduce the size of the gas turbine. However, these schemes have not been energetically integrated and process synthesis techniques can be applied to obtain an optimal flowsheet. This work studies the heat exchange network synthesis (HENS) for the water-gas shift reaction train employing a set of alternative designs provided by Aspen energy analyzer (AEA) and combined in a process superstructure that was simulated in Aspen Plus (AP). This approach allows a rigorous evaluation of the alternative designs and their combinations avoiding all the AEA simplifications (linearized models of heat exchangers). A CAPE-OPEN compliant capability which makes use of a MINLP algorithm for sequential modular simulators was employed to obtain a heat exchange network that provided a cost of energy that was 27% lower than the base case. Highly influential parameters for the pos gasification technologies (i.e. CO/steam ratio, gasifier temperature and pressure) were calculated to obtain the minimum cost of energy while chemical looping parameters (oxidation and reduction temperature) were ensured to be satisfied.

Model experiments on simulation of the WWER water-chemical conditions at loop facilities of the MIR reactor

International Nuclear Information System (INIS)

Benderskaya, O.S.; Zotov, E.A.; Kuprienko, V.A.; Ovchinnikov, V.A.

1999-01-01

The experiments on simulation of the WWER type reactors water-chemical conditions have been started at the State Scientific Center RIAR. These experiments are being conducted at the multi-loop research MIR reactor at the PVK-2 loop facility. The dosage stand was created. It allows introduction of boric acid, potassium and lithium hydroxides, ammonia solutions and gaseous hydrogen. Corrosion tests of the Russian E-635 and E-110 alloys are being conducted at the PVK-2 loop under the WWER water-chemical conditions. If necessary, fuel elements are periodically extracted from the reactor to perform visual examination, to measure their length, diameter, to remove the deposits from the claddings, to measure the burnup and to distribute the fission products over the fuel element by gamma-spectrometry. The chemical analytical 'on line' equipment produced by the ORBISPHERE Laboratory (Switzerland) will be commissioned in the nearest future to measure concentration of the dissolved hydrogen and oxygen as well as pH and specific conductivity. The objective of the report is to familiarize the participants of the IAEA Technical Committee with the capabilities of performing the model water-chemical experiments under the MIR reactor loop facility conditions. (author)

Process integration of chemical looping combustion with oxygen uncoupling in a coal-fired power plant

International Nuclear Information System (INIS)

Spinelli, Maurizio; Peltola, Petteri; Bischi, Aldo; Ritvanen, Jouni; Hyppänen, Timo; Romano, Matteo C.

2016-01-01

High-temperature solid looping processes for CCS (carbon capture and storage) represent a class of promising technologies that enables CO2 capture with relatively low net efficiency penalties. The novel concept of the CLOU (Chemical Looping with Oxygen Uncoupling) process is based on a system of two interconnected fluidized bed reactors that operate at atmospheric pressure. In the fuel reactor, the capability of certain metal oxides to spontaneously release molecular oxygen at high temperatures is exploited to promote the direct conversion of coal in an oxygen-rich atmosphere. As a novel CO_2 capture concept, the CLOU process requires the optimization of design and operation parameters, which may substantially influence the total power plant performance. This study approaches this issue by performing joint simulations of CLOU reactors using a 1.5D model and a steam cycle power plant. A sensitivity analysis has been performed to investigate the performance and main technical issues that are related to the integration of a CLOU island in a state-of-the-art USC (ultra-supercritical) power plant. In particular, the effect of the key process parameters has been evaluated. Superior performance has been estimated for the power plant, with electrical efficiencies of approximately 42% and more than 95% CO2 avoided. - Highlights: • Process modeling and simulation of CLOU integrated in USC coal power plant carried out. • Comprehensive sensitivity analysis on Cu-based CLOU process performed. • Electrical efficiencies of 42% and more than 95% CO_2 avoided obtained. • Reactor size and operating conditions suitable for industrial applications.

Chemical Looping Gasification for Hydrogen Enhanced Syngas Production with In-Situ CO₂ Capture

Energy Technology Data Exchange (ETDEWEB)

Kathe, Mandar [Ohio State University, Columbus, OH (United States); Xu, Dikai [Ohio State University, Columbus, OH (United States); Hsieh, Tien-Lin [Ohio State University, Columbus, OH (United States); Simpson, James [Ohio State University, Columbus, OH (United States); Statnick, Robert [Ohio State University, Columbus, OH (United States); Tong, Andrew [Ohio State University, Columbus, OH (United States); Fan, Liang-Shih [Ohio State University, Columbus, OH (United States)

2014-12-31

This document is the final report for the project titled “Chemical Looping Gasification for Hydrogen Enhanced Syngas Production with In-Situ CO₂ Capture” under award number FE0012136 for the performance period 10/01/2013 to 12/31/2014.This project investigates the novel Ohio State chemical looping gasification technology for high efficiency, cost efficiency coal gasification for IGCC and methanol production application. The project developed an optimized oxygen carrier composition, demonstrated the feasibility of the concept and completed cold-flow model studies. WorleyParsons completed a techno-economic analysis which showed that for a coal only feed with carbon capture, the OSU CLG technology reduced the methanol required selling price by 21%, lowered the capital costs by 28%, increased coal consumption efficiency by 14%. Further, using the Ohio State Chemical Looping Gasification technology resulted in a methanol required selling price which was lower than the reference non-capture case.

CSP-based chemical kinetics mechanisms simplification strategy for non-premixed combustion: An application to hybrid rocket propulsion

KAUST Repository

Ciottoli, Pietro P.

2017-08-14

A set of simplified chemical kinetics mechanisms for hybrid rocket applications using gaseous oxygen (GOX) and hydroxyl-terminated polybutadiene (HTPB) is proposed. The starting point is a 561-species, 2538-reactions, detailed chemical kinetics mechanism for hydrocarbon combustion. This mechanism is used for predictions of the oxidation of butadiene, the primary HTPB pyrolysis product. A Computational Singular Perturbation (CSP) based simplification strategy for non-premixed combustion is proposed. The simplification algorithm is fed with the steady-solutions of classical flamelet equations, these being representative of the non-premixed nature of the combustion processes characterizing a hybrid rocket combustion chamber. The adopted flamelet steady-state solutions are obtained employing pure butadiene and gaseous oxygen as fuel and oxidizer boundary conditions, respectively, for a range of imposed values of strain rate and background pressure. Three simplified chemical mechanisms, each comprising less than 20 species, are obtained for three different pressure values, 3, 17, and 36 bar, selected in accordance with an experimental test campaign of lab-scale hybrid rocket static firings. Finally, a comprehensive strategy is shown to provide simplified mechanisms capable of reproducing the main flame features in the whole pressure range considered.

Combustion chemical vapor desposited coatings for thermal barrier coating systems

Energy Technology Data Exchange (ETDEWEB)

Hampikian, J.M.; Carter, W.B. [Georgia Institute of Technology, Atlanta, GA (United States)

1995-10-01

The new deposition process, combustion chemical vapor deposition, shows a great deal of promise in the area of thermal barrier coating systems. This technique produces dense, adherent coatings, and does not require a reaction chamber. Coatings can therefore be applied in the open atmosphere. The process is potentially suitable for producing high quality CVD coatings for use as interlayers between the bond coat and thermal barrier coating, and/or as overlayers, on top of thermal barrier coatings.

An Integrated Photoelectrochemical-Chemical Loop for Solar-Driven Overall Splitting of Hydrogen Sulfide

DEFF Research Database (Denmark)

Zong, Xu; Han, Jingfeng; Seger, Brian

2014-01-01

Abundant and toxic hydrogen sulfide (H2S) from industry and nature has been traditionally considered a liability. However, it represents a potential resource if valuable H-2 and elemental sulfur can be simultaneously extracted through a H2S splitting reaction. Herein a photochemical-chemical loop...... simulated solar light. This new conceptual design will not only provide a possible route for using solar energy to convert H2S into valuable resources, but also sheds light on some challenging photochemical reactions such as CH4 activation and CO2 reduction.......Abundant and toxic hydrogen sulfide (H2S) from industry and nature has been traditionally considered a liability. However, it represents a potential resource if valuable H-2 and elemental sulfur can be simultaneously extracted through a H2S splitting reaction. Herein a photochemical-chemical loop...... linked by redox couples such as Fe2+/Fe3+ and I-/I-3(-) for photoelectrochemical H-2 production and H2S chemical absorption redox reactions are reported. Using functionalized Si as photoelectrodes, H2S was successfully split into elemental sulfur and H-2 with high stability and selectivity under...

On mathematical modeling and numerical simulation of chemical kinetics in turbulent lean premixed combustion

Energy Technology Data Exchange (ETDEWEB)

Lilleberg, Bjorn

2011-07-01

This thesis investigates turbulent reacting lean premixed flows with detailed treatment of the chemistry. First, the fundamental equations which govern laminar and turbulent reacting flows are presented. A perfectly stirred reactor numerical code is developed to investigate the role of unmixedness and chemical kinetics in driving combustion instabilities. This includes both global single-step and detailed chemical kinetic mechanisms. The single-step mechanisms predict to some degree a similar behavior as the detailed mechanisms. However, it is shown that simple mechanisms can by themselves introduce instabilities. Magnussens Eddy Dissipation Concept (EDC) for turbulent combustion is implemented in the open source CFD toolbox OpenFOAM R for treatment of both fast and detailed chemistry. RANS turbulence models account for the turbulent compressible flow. A database of pre-calculated chemical time scales, which contains the influence of chemical kinetics, is coupled to EDC with fast chemistry to account for local extinction in both diffusion and premixed flames. Results are compared to fast and detailed chemistry calculations. The inclusion of the database shows significantly better results than the fast chemistry calculations while having a comparably small computational cost. Numerical simulations of four piloted lean premixed jet flames falling into the 'well stirred reactor/broken reaction zones' regime, with strong finite-rate chemistry effects, are performed. Measured and predicted scalars compare well for the two jets with the lowest velocities. The two jets with the highest velocities experience extinction and reignition, and the simulations are able to capture the decrease and increase of the OH mass fractions, but the peak values are higher than in the experiments. Also numerical simulations of a lean premixed lifted jet flame with high sensitivity to turbulence modeling and chemical kinetics are performed. Limitations of the applied turbulence and

Reduced chemical kinetic mechanisms for NOx emission prediction in biomass combustion

DEFF Research Database (Denmark)

Houshfar, Ehsan; Skreiberg, Øyvind; Glarborg, Peter

2012-01-01

Because of the complex composition of biomass, the chemical mechanism contains many different species and therefore a large number of reactions. Although biomass gas‐phase combustion is fairly well researched and understood, the proposed mechanisms are still complex and need very long computational...... time and powerful hardware resources. A reduction of the mechanism for biomass volatile oxidation has therefore been performed to avoid these difficulties. The selected detailed mechanism in this study contains 81 species and 703 elementary reactions. Necessity analysis is used to determine which...... reactions and chemical species, that is, 35 species and 198 reactions, corresponding to 72% reduction in the number of reactions and, therefore, improving the computational time considerably. Yet, the model based on the reduced mechanism predicts correctly concentrations of NOx and CO that are essentially...

Physical and chemical effects of low octane gasoline fuels on compression ignition combustion

KAUST Repository

Badra, Jihad

2016-09-30

Gasoline compression ignition (GCI) engines running on low octane gasoline fuels are considered an attractive alternative to traditional spark ignition engines. In this study, three fuels with different chemical and physical characteristics have been investigated in single cylinder engine running in GCI combustion mode at part-load conditions both experimentally and numerically. The studied fuels are: Saudi Aramco light naphtha (SALN) (Research octane number (RON) = 62 and final boiling point (FBP) = 91 °C), Haltermann straight run naphtha (HSRN) (RON = 60 and FBP = 140 °C) and a primary reference fuel (PRF65) (RON = 65 and FBP = 99 °C). Injection sweeps, where the start of injection (SOI) is changed between −60 and −11 CAD aTDC, have been performed for the three fuels. Full cycle computational fluid dynamics (CFD) simulations were executed using PRFs as chemical surrogates for the naphtha fuels. Physical surrogates based on the evaporation characteristics of the naphtha streams have been developed and their properties have been implemented in the engine simulations. It was found that the three fuels have similar combustion phasings and emissions at the conditions tested in this work with minor differences at SOI earlier than −30 CAD aTDC. These trends were successfully reproduced by the CFD calculations. The chemical and physical effects were further investigated numerically. It was found that the physical characteristics of the fuel significantly affect the combustion for injections earlier than −30 CAD aTDC because of the low evaporation rates of the fuel because of the higher boiling temperature of the fuel and the colder in-cylinder air during injection. © 2016 Elsevier Ltd

Chemical Kinetic Study of Nitrogen Oxides Formation Trends in Biodiesel Combustion

Directory of Open Access Journals (Sweden)

Junfeng Yang

2012-01-01

Full Text Available The use of biodiesel in conventional diesel engines results in increased NOx emissions; this presents a barrier to the widespread use of biodiesel. The origins of this phenomenon were investigated using the chemical kinetics simulation tool: CHEMKIN-2 and the CFD KIVA3V code, which was modified to account for the physical properties of biodiesel and to incorporate semidetailed mechanisms for its combustion and the formation of emissions. Parametric ϕ-T maps and 3D engine simulations were used to assess the impact of using oxygen-containing fuels on the rate of NO formation. It was found that using oxygen-containing fuels allows more O2 molecules to present in the engine cylinder during the combustion of biodiesel, and this may be the cause of the observed increase in NO emissions.

An Experimental and Chemical Kinetics Study of the Combustion of Syngas and High Hydrogen Content Fuels

Energy Technology Data Exchange (ETDEWEB)

Santoro, Robers [Pennsylvania State Univ., State College, PA (United States); Dryer, Frederick [Princeton Univ., NJ (United States); Ju, Yiguang [Princeton Univ., NJ (United States)

2013-09-30

An integrated and collaborative effort involving experiments and complementary chemical kinetic modeling investigated the effects of significant concentrations of water and CO2 and minor contaminant species (methane [CH4], ethane [C2H6], NOX, etc.) on the ignition and combustion of HHC fuels. The research effort specifically addressed broadening the experimental data base for ignition delay, burning rate, and oxidation kinetics at high pressures, and further refinement of chemical kinetic models so as to develop compositional specifications related to the above major and minor species. The foundation for the chemical kinetic modeling was the well validated mechanism for hydrogen and carbon monoxide developed over the last 25 years by Professor Frederick Dryer and his co-workers at Princeton University. This research furthered advance the understanding needed to develop practical guidelines for realistic composition limits and operating characteristics for HHC fuels. A suite of experiments was utilized that that involved a high-pressure laminar flow reactor, a pressure-release type high-pressure combustion chamber and a high-pressure turbulent flow reactor.

Study of physico-chemical release of uranium and plutonium oxides during the combustion of polycarbonate and of ruthenium during the combustion of solvents used in the reprocessing of nuclear fuel

International Nuclear Information System (INIS)

Bouilloux, L.

1998-01-01

The level of consequences concerning a fire in a nuclear facility is in part estimated by the quantities and the physico-chemical forms of radioactive compounds that may be emitted out of the facility. It is therefore necessary to study the contaminant release from the fire. Because of the multiplicity of the scenarios, two research subjects were retained. The first one concerns the study of the uranium or plutonium oxides chemical release during the combustion of the polycarbonate glove box sides. The second one is about the physico chemical characterisation of the ruthenium release during the combustion of an organic solvent mixture (tributyl phosphate-dodecane) used for the nuclear fuel reprocessing. Concerning the two research subjects, the chemical release, i.e. means the generation of contaminant compounds gaseous in the fire, was modelled using thermodynamical simulations. Experiments were done in order to determine the ruthenium release factor during solvent combustion. A cone calorimeter was used for small scale experiments. These results were then validated by large scale tests under conditions close to the industrial process. Thermodynamical simulations, for the two scenarios studied. Furthermore, the experiments on solvent combustion allowed the determination of a suitable ruthenium release factor. Finally, the mechanism responsible of the ruthenium release has been found. (author)

Analysis of Chemical Reaction Kinetics Behavior of Nitrogen Oxide During Air-staged Combustion in Pulverized Boiler

Directory of Open Access Journals (Sweden)

Jun-Xia Zhang

2016-03-01

Full Text Available Because the air-staged combustion technology is one of the key technologies with low investment running costs and high emission reduction efficiency for the pulverized boiler, it is important to reveal the chemical reaction kinetics mechanism for developing various technologies of nitrogen oxide reduction emissions. At the present work, a three-dimensional mesh model of the large-scale four corner tangentially fired boiler furnace is established with the GAMBIT pre-processing of the FLUENT software. The partial turbulent premixed and diffusion flame was simulated for the air-staged combustion processing. Parameters distributions for the air-staged and no the air-staged were obtained, including in-furnace flow field, temperature field and nitrogen oxide concentration field. The results show that the air-staged has more regular velocity field, higher velocity of flue gas, higher turbulence intensity and more uniform temperature of flue gas. In addition, a lower negative pressure zone and lower O2 concentration zone is formed in the main combustion zone, which is conducive to the NO of fuel type reduced to N2, enhanced the effect of NOx reduction. Copyright © 2016 BCREC GROUP. All rights reserved Received: 5th November 2015; Revised: 14th January 2016; Accepted: 16th January 2016  How to Cite: Zhang, J.X., Zhang, J.F. (2016. Analysis of Chemical Reaction Kinetics Behavior of Nitrogen Oxide During Air-staged Combustion in Pulverized Boiler. Bulletin of Chemical Reaction Engineering & Catalysis, 11 (1: 100-108. (doi:10.9767/bcrec.11.1.431.100-108 Permalink/DOI: http://dx.doi.org/10.9767/bcrec.11.1.431.100-108

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

Science.gov (United States)

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 (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.

Morphology evolution and nanostructure of chemical looping transition metal oxide materials upon redox processes

International Nuclear Information System (INIS)

Qin, Lang; Cheng, Zhuo; Guo, Mengqing; Fan, Jonathan A.; Fan, Liang-Shih

2017-01-01

Transition metal are heavily used in chemical looping technologies because of their high oxygen carrying capacity and high thermal reactivity. These oxygen activities result in the oxide formation and oxygen vacancy formation that affect the nanoscale crystal phase and morphology within these materials and their subsequent bulk chemical behavior. In this study, two selected earlier transition metals manganese and cobalt as well as two selected later transition metals copper and nickel that are important to chemical looping reactions are investigated when they undergo cyclic redox reactions. We found Co microparticles exhibited increased CoO impurity presence when oxidized to Co_3O_4 upon cyclic oxidation; CuO redox cycles prefer to be limited to a reduced form of Cu_2O and an oxidized form of CuO; Mn microparticles were oxidized to a mixed phases of MnO and Mn_3O_4, which causes delamination during oxidation. For Ni microparticles, a dense surface were observed during the redox reaction. The atomistic thermodynamics methods and density functional theory (DFT) calculations are carried out to elucidate the effect of oxygen dissociation and migration on the morphological evolution of nanostructures during the redox processes. Our results indicate that the earlier transition metals (Mn and Co) tend to have stronger interaction with O_2 than the later transition metals (Ni and Cu). Also, our modified Brønsted−Evans−Polanyi (BEP) relationship for reaction energies and total reaction barriers reveals that reactions of earlier transition metals are more exergonic and have lower oxygen dissociation barriers than those of later transition metals. In addition, it was found that for these transition metal oxides the oxygen vacancy formation energies increase with the depth. The oxide in the higher oxidation state of transition metal has lower vacancy formation energy, which can facilitate forming the defective nanostructures. The fundamental understanding of these metal

Process design of a hydrogen production plant from natural gas with CO2 capture based on a novel Ca/Cu chemical loop

International Nuclear Information System (INIS)

Martínez, I.; Romano, M.C.; Fernández, J.R.; Chiesa, P.; Murillo, R.; Abanades, J.C.

2014-01-01

Highlights: • Process design of a H 2 production plant based on a novel Ca/Cu looping process is presented. • CuO reduction with syngas provides energy for CaCO 3 calcination. • The effect of operating conditions on plant performance indexes is analysed. • Carbon capture efficiencies of around 94% are obtained. • Around 6% points of equivalent H 2 efficiency improvement on conventional reforming. - Abstract: A detailed and comprehensive design of a H 2 production plant based on a novel Ca/Cu chemical looping process is presented in this work. This H 2 production process is based on the sorption-enhanced reforming concept using natural gas together with a CaO/CaCO 3 chemical loop. A second Cu/CuO loop is incorporated to supply energy for the calcination of the CaCO 3 via the reduction of CuO with a fuel gas. A comprehensive energy integration description of the different gas streams available in the plant is provided to allow a thermodynamic assessment of the process and to highlight its advantages and drawbacks. Hydrogen equivalent efficiencies of up to 77% are feasible with this novel Ca/Cu looping process, using an active reforming catalyst based on Pt, high oxidation temperatures and moderate gas velocities in the fixed bed system, which are around 6% points above the efficiency of a reference H 2 production plant based on conventional steam reforming including CO 2 capture with MDEA. Non-converted carbon compounds in the reforming stage are removed as CO 2 in the calcination stage of the Ca/Cu looping process, which will be compressed and sent for storage. Carbon capture efficiencies of around 94% can be obtained with this Ca/Cu looping process, which are significantly higher than those obtained in the reference plant that uses MDEA absorption (around 85%). Additional advantages, such as its compact design and the use of cheaper materials compared to other commercial processes for H 2 production with CO 2 capture, confirm the potential of the Ca

Oxidation and Reduction of Iron-Titanium Oxides in Chemical Looping Combustion: A Phase-Chemical Description Oxydation et réduction des minerais de fer-titane dans la combustion en boucle chimique

Directory of Open Access Journals (Sweden)

den Hoed P.

2011-05-01

Full Text Available Ilmenite (FeTiO3 is being explored as an oxygen carrier in chemical looping processes. Its reduction and oxidation are described by the system Fe-Fe2O3-TiO2-Ti2O3. The phase diagram at 1 000°C, presented here, offers a useful tool for predicting reactions and their products. We see that Fe2TiO5 (pseudobrookite and TiO2 (rutile form a stable phase assemblage following the oxidation of FeTiO3 (ilmenite in air. The subsequent reduction of Fe2TiO5 at oxygen partial pressures of 10-15.5atm stabilizes Fe1.02Ti0.98O3, a solid solution of ilmenite. Further reduction will produce metallic iron, which compromises the integrity of the oxygen carrier for chemical looping processes. We speculate that the reduction of Fe-Ti oxides in several practical instances does not reach completion (and equilibrium under the imposed atmospheres operating in fuel reactors. L’ilménite (FeTiO3 est considéré comme un transporteur d’oxygène potentiel pour les procédés en boucle chimique. Ses mécanismes de réduction et d’oxydation sont décrits à travers le système Fe-Fe2O3-TiO2-TiO3. Le diagramme de phase à 1 000°C, présenté ici, est un outil utile pour prédire les réactions et les produits. Nous constatons que Fe2TiO5 (pseudobrookite et TiO2 (rutile forment un assemblage de phase stable après oxydation de l’ilménite (FeTiO3 dans l’air. La réduction subséquente de Fe2TiO5 à la pression partielle de 10−15,5atm stabilise vers Fe1.02Ti0.98O3, une solution solide d’ilménite. Une réduction plus poussée va produire du fer métallique et compromettre l’intégrité du transporteur d’oxygène dans la boucle chimique. Il est probable que la réduction des oxydes Fe-Ti ne soit pas, en pratique, complète et n’atteigne pas l’équilibre dans les conditions rencontrées en opération dans les réacteurs de réduction.

Perturbative study of the QCD phase diagram for heavy quarks at nonzero chemical potential: Two-loop corrections

Science.gov (United States)

Maelger, J.; Reinosa, U.; Serreau, J.

2018-04-01

We extend a previous investigation [U. Reinosa et al., Phys. Rev. D 92, 025021 (2015), 10.1103/PhysRevD.92.025021] of the QCD phase diagram with heavy quarks in the context of background field methods by including the two-loop corrections to the background field effective potential. The nonperturbative dynamics in the pure-gauge sector is modeled by a phenomenological gluon mass term in the Landau-DeWitt gauge-fixed action, which results in an improved perturbative expansion. We investigate the phase diagram at nonzero temperature and (real or imaginary) chemical potential. Two-loop corrections yield an improved agreement with lattice data as compared to the leading-order results. We also compare with the results of nonperturbative continuum approaches. We further study the equation of state as well as the thermodynamic stability of the system at two-loop order. Finally, using simple thermodynamic arguments, we show that the behavior of the Polyakov loops as functions of the chemical potential complies with their interpretation in terms of quark and antiquark free energies.

Apparatus and method for solid fuel chemical looping combustion

Science.gov (United States)

Siriwardane, Ranjani V; Weber, Justin M

2015-04-14

The disclosure provides an apparatus and method utilizing fuel reactor comprised of a fuel section, an oxygen carrier section, and a porous divider separating the fuel section and the oxygen carrier section. The porous divider allows fluid communication between the fuel section and the oxygen carrier section while preventing the migration of solids of a particular size. Maintaining particle segregation between the oxygen carrier section and the fuel section during solid fuel gasification and combustion processes allows gases generated in either section to participate in necessary reactions while greatly mitigating issues associated with mixture of the oxygen carrier with char or ash products. The apparatus and method may be utilized with an oxygen uncoupling oxygen carrier such as CuO, Mn.sub.3O.sub.4, or Co.sub.3O.sub.4, or utilized with a CO/H.sub.2 reducing oxygen carrier such as Fe.sub.2O.sub.3.

Introduction to chemical kinetics

CERN Document Server

Soustelle, Michel

2013-01-01

This book is a progressive presentation of kinetics of the chemical reactions. It provides complete coverage of the domain of chemical kinetics, which is necessary for the various future users in the fields of Chemistry, Physical Chemistry, Materials Science, Chemical Engineering, Macromolecular Chemistry and Combustion. It will help them to understand the most sophisticated knowledge of their future job area. Over 15 chapters, this book present the fundamentals of chemical kinetics, its relations with reaction mechanisms and kinetic properties. Two chapters are then devoted to experimental re

Investigation of hydrogen generation in a three reactor chemical looping reforming process

International Nuclear Information System (INIS)

Khan, Mohammed N.; Shamim, Tariq

2016-01-01

Highlights: • Three-reactor based chemical looping reforming system for hydrogen production. • Investigation of operating parameters using a system-level model. • Optimum operating conditions for hydrogen production are identified. • Different operating parameters affect the reactor temperatures differently. - Abstract: Chemical looping reforming (CLR) is a relatively new method to produce hydrogen (H_2) and is also used as an energy conversion method for solid, liquid or gaseous fuels. There are various advantages of this method such as inherent carbon dioxide (CO_2) capture, minimal NOx emissions and the H_2 production. In this process, there is no direct contact between the fuel and oxidizer. This method utilizes oxygen from an oxygen carrier which may be a transition metal. The idea is to split the combustion process into three separate sub-processes by employing three separate reactors: air reactor where the oxygen carrier is oxidized by air, fuel reactor where natural gas is oxidized to produce a stream of CO_2 and H_2O and steam reactor where the steam is reduced to produce H_2. In this study, a thermodynamic model with iron oxides as oxygen carrier has been developed using Aspen Plus by employing conservation of mass and energy for all the components of the CLR system. The developed model was employed to investigate the effect of various operating parameters such as mass flow rates of air, fuel, steam and oxygen carrier and fraction of inert material on H_2 and CO_2 production and key reactor temperatures. The results show that the H_2 production increases with the increase in air, fuel and steam flow rates up to a certain limit and stays constant for higher flow rates. The CO_2 production follows a similar trend. Similarly, the H_2 production also increases with the increase in oxide flow rate and fraction of inert material up to a particular value, but then decrease for higher oxide flow rates and inert fractions. Reactor temperatures were also

Physico-chemical and optical properties of combustion-generated particles from coal-fired power plant, automobile and ship engine and charcoal kiln.

Science.gov (United States)

Kim, Hwajin

2015-04-01

Similarities and differences in physico-chemical and optical properties of combustion generated particles from various sources were investigated. Coal-fired power plant, charcoal kiln, automobile and ship engine were major sources, representing combustions of coal, biomass and two different types of diesel, respectively. Scanning electron microscopy (SEM), high resolution transmission electron microscopy (HRTEM) and energy-dispersive X-ray spectroscopy (EDX) equipped with both SEM and HRTEM were used for physico-chemical analysis. Light absorbing properties were assessed using a spectrometer equipped with an integrating sphere. Particles generated from different combustion sources and conditions demonstrate great variability in their morphology, structure and composition. From coal-fired power plant, both fly ash and flue gas were mostly composed of heterogeneously mixed mineral ash spheres, suggesting that the complete combustion was occurred releasing carbonaceous species out at high temperature (1200-1300 °C). Both automobile and ship exhausts from diesel combustions show typical features of soot: concentric circles comprised of closely-packed graphene layers. However, heavy fuel oil (HFO) combusted particles from ship exhaust demonstrate more complex compositions containing different morphology of particles other than soot, e.g., spherical shape of char particles composed of minerals and carbon. Even for the soot aggregates, particles from HFO burning have different chemical compositions; carbon is dominated but Ca (29.8%), S (28.7%), Na(1%), and Mg(1%) are contained, respectively which were not found from particles of automobile emission. This indicates that chemical compositions and burning conditions are significant to determine the fate of particles. Finally, from biomass burning, amorphous and droplet-like carbonaceous particles with no crystallite structure are observed and they are generally formed by the condensation of low volatile species at low

Comparison of Iron and Tungsten Based Oxygen Carriers for Hydrogen Production Using Chemical Looping Reforming

Science.gov (United States)

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.

Design of a rotary reactor for chemical-looping combustion. Part 2: Comparison of copper-, nickel-, and iron-based oxygen carriers

KAUST Repository

Zhao, Zhenlong

2014-04-01

Chemical-looping combustion (CLC) is a novel and promising option for several applications including carbon capture (CC), fuel reforming, H 2 generation, etc. Previous studies demonstrated the feasibility of performing CLC in a novel rotary design with micro-channel structures. Part 1 of this series studied the fundamentals of the reactor design and proposed a comprehensive design procedure, enabling a systematic methodology of designing and evaluating the rotary CLC reactor with different OCs and operating conditions. This paper presents the application of the methodology to the designs with three commonly used OCs, i.e., copper, nickel, and iron. The physical properties and the reactivities of the three OCs are compared at operating conditions suitable for the rotary CLC. Nickel has the highest reduction rate, but relatively slow oxidation reactivity while the iron reduction rate is most sensitive to the fuel concentration. The design parameters and the operating conditions for the three OCs are selected, following the strategies proposed in Part 1, and the performances are evaluated using a one-dimensional plug-flow model developed previously. The simulations show that for all OCs, complete fuel conversion and high carbon separation efficiency can be achieved at periodic stationary state with reasonable operational stabilities. The nickel-based design includes the smallest dimensions because of its fast reduction rate. The operation of nickel case is mainly limited to the slow oxidation rate, and hence a relatively large share of air sector is used. The iron-based design has the largest size, due to its slow reduction reactivity near the exit or in the fuel purge sector where the fuel concentration is low. The gas flow temperature increases monotonically for all the cases, and is mainly determined by the solid temperature. In the periodic state, the local temperature variation is within 40 K and the thermal distortion is limited. The design of the rotary CLC is

The chemical transformation of calcium in Shenhua coal during combustion in a muffle furnace

Energy Technology Data Exchange (ETDEWEB)

Tian, Sida [North China Electric Power Univ., Beijing (China). School of Energy, Power and Mechanical Engineering; Ministry of Education, Beijing (China). Key Lab. of Condition Monitoring and Control for Power Plant Equipment; Zhuo, Yuqun; Chen, Changhe [Tsinghua Univ., Beijing (China). Dept. of Thermal Engineering; Ministry of Education, Beijing (China). Key Lab. for Thermal Science and Power Engineering; Shu, Xinqian [China Univ. of Mining and Technology, Beijing (China). School of Chemical and Environmental Engineering

2013-07-01

The chemical reaction characteristics of calcium in three samples of Shenhua coal, i.e. raw sample, hydrochloric acid washed sample and hydrochloric acid washed light fraction, during combustion in a muffle furnace have been investigated in this paper. Ca is bound by calcite and organic matter in Shenhua coal. X ray diffraction (XRD) phase analysis has been conducted to these samples' combustion products obtained by heating at different temperatures. It has been found that the organically-bound calcium could easily react with clays and transform into gehlenite and anorthite partially if combusted under 815 C, whilst the excluded minerals promoted the conversion of gehlenite to anorthite. Calcite in Shenhua coal decomposed into calcium oxide and partially transformed into calcium sulfate under 815 C, and formed gehlenite and anorthite under 1,050 C. Calcite and other HCl-dissolved minerals in Shenhua coal were responsible mainly for the characteristic that the clay minerals in Shenhua coal hardly became mullite during combustion.

Modeling of turbulent chemical reaction

Science.gov (United States)

Chen, J.-Y.

1995-01-01

Viewgraphs are presented on modeling turbulent reacting flows, regimes of turbulent combustion, regimes of premixed and regimes of non-premixed turbulent combustion, chemical closure models, flamelet model, conditional moment closure (CMC), NO(x) emissions from turbulent H2 jet flames, probability density function (PDF), departures from chemical equilibrium, mixing models for PDF methods, comparison of predicted and measured H2O mass fractions in turbulent nonpremixed jet flames, experimental evidence of preferential diffusion in turbulent jet flames, and computation of turbulent reacting flows.

Chemical looping reforming in packed-bed reactors : modelling, experimental validation and large-scale reactor design

NARCIS (Netherlands)

Spallina, V.; Marinello, B.; Gallucci, F.; Romano, M.C.; van Sint Annaland, M.

This paper addresses the experimental demonstration and model validation of chemical looping reforming in dynamically operated packed-bed reactors for the production of H2 or CH3OH with integrated CO2 capture. This process is a combination of auto-thermal and steam methane reforming and is carried

Chemical Processes Related to Combustion in Fluidised Bed

Energy Technology Data Exchange (ETDEWEB)

Steenari, Britt-Marie; Lindqvist, Oliver [Chalmers Univ. of Technology, Goeteborg (Sweden). Dept. of Environmental Inorganic Chemistry

2002-12-01

with evaluation of other biomass ash particles and, as an extension, the speciation of Cu and Zn will be studied as well. Ash fractions from combustion of MSW in a BFB boiler have been investigated regarding composition and leaching properties, i.e. environmental impact risks. The release of salts from the cyclone ash fraction can be minimised by the application of a simple washing process, thus securing that the leaching of soluble substances stays within the regulative limits. The MSW ash - water systems contain some interesting chemical issues, such as the interactions between Cr(VI) and reducing substances like Al-metal. The understanding of such chemical processes is important since it gives a possibility to predict effects of a change in ash composition. An even more detailed understanding of interactions between a solution containing ions and particle surfaces can be gained by theoretical modelling. In this project (and with additional unding from Aangpannefoereningens Forskningsstiftelse) a theoretical description of ion-ion interactions and the solid-liquid-interface has been developed. Some related issues are also included in this report. The publication of a paper on the reactions of ammonia in the presence of a calcining limestone surface is one of them. A review paper on the influence of combustion conditions on the properties of fly ash and its applicability as a cement replacement in concrete is another. The licentiate thesis describing the sampling and measurement of Cd in flue gas is also included since it was finalised during the present period. A co-operation project involving the Geology Dept. at Goeteborg Univ. and our group is briefly discussed. This project concerns the utilisation of granules produced from wood ash and dolomite as nutrient source for forest soil. Finally, the plans for our flue gas simulator facility are discussed.

The Physical/Chemical Closed-Loop Life Support Research Project

Science.gov (United States)

Bilardo, Vincent J., Jr.

1990-01-01

The various elements of the Physical/Chemical Closed-Loop Life Support Research Project (P/C CLLS) are described including both those currently funded and those planned for implementation at ARC and other participating NASA field centers. The plan addresses the entire range of regenerative life support for Space Exploration Initiative mission needs, and focuses initially on achieving technology readiness for the Initial Lunar Outpost by 1995-97. Project elements include water reclamation, air revitalization, solid waste management, thermal and systems control, and systems integration. Current analysis estimates that each occupant of a space habitat will require a total of 32 kg/day of supplies to live and operate comfortably, while an ideal P/C CLLS system capable of 100 percent reclamation of air and water, but excluding recycling of solid wastes or foods, will reduce this requirement to 3.4 kg/day.

Numerical investigation of a straw combustion boiler – Part I: Modelling of the thermo-chemical conversion of straw

Directory of Open Access Journals (Sweden)

Dernbecher Andrea

2016-01-01

Full Text Available In the framework of a European project, a straw combustion boiler in conjunction with an organic Rankine cycle is developed. One objective of the project is the enhancement of the combustion chamber by numerical methods. A comprehensive simulation of the combustion chamber is prepared, which contains the necessary submodels for the thermo-chemical conversion of straw and for the homogeneous gas phase reactions. Part I introduces the modelling approach for the thermal decomposition of the biomass inside the fuel bed, whereas part II deals with the simulation of the gas phase reactions in the freeboard.

Coupling of high temperature nuclear reactor with chemical plant by means of steam loop with heat pump

Directory of Open Access Journals (Sweden)

Kopeć Mariusz

2017-01-01

Full Text Available High temperature nuclear reactors (HTR can be used as an excellent, emission-free source of technological heat for various industrial applications. Their outlet helium temperature (700°-900°C allows not only for heat supply to all processes below 600°C (referred to as “steam class”, but also enables development of clean nuclear-assisted hydrogen production or coal liquefaction technologies with required temperatures up to 900°C (referred to as “chemical class”. This paper presents the results of analyses done for various configurations of the steam transport loop coupled with the high-temperature heat pump designed for “chemical class” applications. The advantages and disadvantages as well as the key issues are discussed in comparison with alternative solutions, trying to answer the question whether the system with the steam loop and the hightemperature heat pump is viable and economically justified.

Theoretical study of stability and reaction mechanism of CuO supported on ZrO{sub 2} during chemical looping combustion

Energy Technology Data Exchange (ETDEWEB)

Wang, Minjun; Liu, Jing, E-mail: liujing27@mail.hust.edu.cn; Shen, Fenghua; Cheng, Hao; Dai, Jinxin; Long, Yan

2016-03-30

Graphical abstract: - Highlights: • The stability and reaction mechanism of CuO supported on ZrO{sub 2} were studied by DFT. • ZrO{sub 2} provides a high resistance to CuO sintering. • ZrO{sub 2} promotes the activity of CuO for CO oxidation in fuel reactor. • The energy barriers are low enough for CuO/ZrO{sub 2} oxidation reaction in air reactor. - Abstract: The addition of inert support is important for the Cu-based oxygen carrier used in chemical looping combustion (CLC). The effects of the ZrO{sub 2} support on the stability and reactivity of Cu-based oxygen carrier were investigated using the density functional theory (DFT). First, the sintering inhibition mechanism of ZrO{sub 2} that support active CuO was investigated. The optimized Cu{sub 4}O{sub 4}/ZrO{sub 2} structure showed a strong interaction occurred between the Cu{sub 4}O{sub 4} cluster and ZrO{sub 2}(1 0 1) surface. The interaction prevented the migration and agglomeration of CuO. Next, the adsorption of CO on Cu{sub 4}O{sub 4}/ZrO{sub 2} and the mechanism of the CuO/ZrO{sub 2} reduction by CO were studied. CO mainly chemisorbed on the Cu site and ZrO{sub 2} acted as an electron donor in the adsorption system. The energy barrier of CuO/ZrO{sub 2} reduction by CO (0.79 eV) was much lower than that of the pure CuO cluster (1.44 eV), indicating that ZrO{sub 2} had a positive effect on CuO/ZrO{sub 2} reduction by CO. After CO was oxidized in the fuel reactor, the CuO was reduced into Cu. The adsorption of O{sub 2} on Cu{sub 2}/ZrO{sub 2} and the most likely pathway of Cu{sub 2}/ZrO{sub 2} oxidation by O{sub 2} were investigated. The adsorption of O{sub 2} was found a strong chemisorption behavior. The energy barriers were low enough for the Cu-based oxygen carrier oxidation reaction.

Syngas Generation from Methane Using a Chemical-Looping Concept: A Review of Oxygen Carriers

Directory of Open Access Journals (Sweden)

Kongzhai Li

2013-01-01

Full Text Available Conversion of methane to syngas using a chemical-looping concept is a novel method for syngas generation. This process is based on the transfer of gaseous oxygen source to fuel (e.g., methane by means of a cycling process using solid oxides as oxygen carriers to avoid direct contact between fuel and gaseous oxygen. Syngas is produced through the gas-solid reaction between methane and solid oxides (oxygen carriers, and then the reduced oxygen carriers can be regenerated by a gaseous oxidant, such as air or water. The oxygen carrier is recycled between the two steps, and the syngas with a ratio of H2/CO = 2.0 can be obtained successively. Air is used instead of pure oxygen allowing considerable cost savings, and the separation of fuel from the gaseous oxidant avoids the risk of explosion and the dilution of product gas with nitrogen. The design and elaboration of suitable oxygen carriers is a key issue to optimize this method. As one of the most interesting oxygen storage materials, ceria-based and perovskite oxides were paid much attention for this process. This paper briefly introduced the recent research progresses on the oxygen carriers used in the chemical-looping selective oxidation of methane (CLSOM to syngas.

Chemical sciences, annual report 1993

International Nuclear Information System (INIS)

1994-10-01

The Chemical Sciences Division (CSD) is one of eleven research Divisions of the Lawrence Berkeley Laboratory, a DOE National Laboratory. In FY 1993, the Division made considerable progress on developing two end-stations and a beamline to advance combustion dynamics at the Advanced Light Source (ALS). In support of DOE's national role in combustion research and chemical science, the beamline effort will enable researchers from around the world to make fundamental advances in understanding the structure and reactivity of critical reaction intermediates and transients, and in understanding the dynamics of elementary chemical reactions. The Division has continued to place a strong emphasis on full compliance with environmental health and safety guidelines and regulations and has made progress in technology transfer to industry. Finally, the Division has begun a new program in advanced battery research and development that should help strengthen industrial competitiveness both at home and abroad

Chemical sciences, annual report 1993

Energy Technology Data Exchange (ETDEWEB)

1994-10-01

The Chemical Sciences Division (CSD) is one of eleven research Divisions of the Lawrence Berkeley Laboratory, a DOE National Laboratory. In FY 1993, the Division made considerable progress on developing two end-stations and a beamline to advance combustion dynamics at the Advanced Light Source (ALS). In support of DOE`s national role in combustion research and chemical science, the beamline effort will enable researchers from around the world to make fundamental advances in understanding the structure and reactivity of critical reaction intermediates and transients, and in understanding the dynamics of elementary chemical reactions. The Division has continued to place a strong emphasis on full compliance with environmental health and safety guidelines and regulations and has made progress in technology transfer to industry. Finally, the Division has begun a new program in advanced battery research and development that should help strengthen industrial competitiveness both at home and abroad.

Chemical Absorption Materials

DEFF Research Database (Denmark)

Thomsen, Kaj

2011-01-01

Chemical absorption materials that potentially can be used for post combustion carbon dioxide capture are discussed. They fall into five groups, alkanolamines, alkali carbonates, ammonia, amino acid salts, and ionic liquids. The chemistry of the materials is discussed and advantages and drawbacks...

Modelling of Combustion and Pollutant Formation in a Large, Two-Stroke Marine Diesel Engine using Integrated CFD-Skeletal Chemical Mechanism

DEFF Research Database (Denmark)

Pang, Kar Mun; Karvounis, Nikolas; Schramm, Jesper

In this reported work, simulation studies of in-cylinder diesel combustion and pollutant formation processesin a two-stroke, low-speed uniflow-scavenged marine diesel engine are presented. Numerical computation is performed by integrating chemical kinetics into CFD computations. In order...... to minimize the computational runtime, an in-house skeletal n-heptane chemical mechanism is coupled with the CFD model. This surrogate fuel model comprises 89 reactions with 32 species essential to diesel ignition/combustion processes as well as the formation of soot precursors and nitrogen monoxide (NO......). Prior to the marine engine simulation,coupling of the newly developed surrogate fuel model and a revised multi-step soot model [1] is validated on the basis of optical diagnostics measurement obtained at varying ambient pressure levels [2]. It is demonstrated that the variation of ignition delay times...

Femtosecond laser control of chemical reactions

CSIR Research Space (South Africa)

Du Plessis, A

2010-08-31

Full Text Available Femtosecond laser control of chemical reactions is made possible through the use of pulse-shaping techniques coupled to a learning algorithm feedback loop – teaching the laser pulse to control the chemical reaction. This can result in controllable...

Chemical reactor for converting a first material into a second material

Science.gov (United States)

Kong, Peter C

2012-10-16

A chemical reactor and method for converting a first material into a second material is disclosed and wherein the chemical reactor is provided with a feed stream of a first material which is to be converted into a second material; and wherein the first material is combusted in the chemical reactor to produce a combustion flame, and a resulting gas; and an electrical arc is provided which is passed through or superimposed upon the combustion flame and the resulting gas to facilitate the production of the second material.

Mechanistic studies of chemical looping desulfurization of Mn-based oxides using in situ X-ray absorption spectroscopy

International Nuclear Information System (INIS)

König, C.F.J.; Nachtegaal, M.; Seemann, M.; Clemens, F.; Garderen, N. van; Biollaz, S.M.A.; Schildhauer, T.J.

2014-01-01

Highlights: • Mn sorbents remove H 2 S from hot syngas in chemical looping desulfurization process. • State of Mn followed by in situ X-ray absorption spectroscopy and mass spectrometry. • Two-step mechanism explains the formation of SO 2 under reducing conditions. - Abstract: Cleaning of producer gas from biomass gasification is required for further processing, e.g. to avoid catalyst poisoning in subsequent conversion steps. High-temperature gas cleaning, of which sulfur removal is an important part, is a promising way to improve the overall efficiency of biomass conversion. In a high temperature “chemical looping desulfurization” process, a sorbent material, here manganese oxide, is cycled between producer gas from the gasifier to remove sulfur species, and an oxidizing atmosphere, in which the sulfur species are released as SO 2 . Alternatively, the use of such material as reactive bed material could be integrated into an allothermal dual fluidized bed gasifier. In a laboratory reactor, we subjected manganese-based materials to a periodically changing gas atmosphere, simulating a “chemical looping desulfurization” reactor. The “fuel reactor” gas contained H 2 , CO, CH 4 and H 2 S, similar as in the producer gas, and the “oxidizing reactor” contained diluted O 2 . Mass spectrometry showed that most of the H 2 S is taken up by the sample in the “fuel reactor” part, while also some unwanted SO 2 is generated in the “fuel reactor” part. Most of the sulfur is released in the oxidizing reactor. Simultaneous in situ X-ray absorption spectroscopy (XAS) of the Mn materials during different stages of the chemical looping desulfurization process showed that the initial Mn 3 O 4 is transformed in the presence of H 2 S to MnS via a MnO intermediate in the fuel reactor. Oxygen from the reduction of Mn 3 O 4 oxidizes some H 2 S to the undesired SO 2 in the fuel reactor. Upon exposure to O 2 , MnS is again oxidized to Mn 3 O 4 via MnO, releasing SO

Chemical Biodynamics Division. Annual report 1979

Energy Technology Data Exchange (ETDEWEB)

1980-08-01

The Chemical Biodynamics Division of LBL continues to conduct basic research on the dynamics of living cells and on the interaction of radiant energy with organic matter. Many aspects of this basic research are related to problems of environmental and health effects of fossil fuel combustion, solar energy conversion and chemical/ viral carcinogenesis.

Flows and chemical reactions in homogeneous mixtures

CERN Document Server

Prud'homme, Roger

2013-01-01

Flows with chemical reactions can occur in various fields such as combustion, process engineering, aeronautics, the atmospheric environment and aquatics. The examples of application chosen in this book mainly concern homogeneous reactive mixtures that can occur in propellers within the fields of process engineering and combustion: - propagation of sound and monodimensional flows in nozzles, which may include disequilibria of the internal modes of the energy of molecules; - ideal chemical reactors, stabilization of their steady operation points in the homogeneous case of a perfect mixture and c

Energetic study of combustion instabilities and genetic optimisation of chemical kinetics; Etude energetique des instabilites thermo-acoustiques et optimisation genetique des cinetiques reduites

Energy Technology Data Exchange (ETDEWEB)

Martin, Ch.E.

2005-12-15

Gas turbine burners are now widely operated in lean premixed combustion mode. This technology has been introduced in order to limit pollutants emissions (especially the NO{sub x}), and thus comply with environment norms. Nevertheless, the use of lean premixed combustion decreases the stability margin of the flames. The flames are then more prone to be disturbed by flow disturbances. Combustion instabilities are then a major problem of concern for modern gas turbine conception. Some active control systems have been used to ensure stability of gas turbines retro-fitted to lean premixed combustion. The current generation of gas turbines aims to get rid of these control devices getting stability by a proper design. To do so, precise and adapted numerical tools are needed even it is impossible at the moment to guarantee the absolute stability of a combustion chamber at the design stage. Simulation tools for unsteady combustion are now able to compute the whole combustion chamber. Its intrinsic precision, allows the Large Eddy Simulation (LES) to take into account numerous phenomena involved in combustion instabilities. Chemical modelling is an important element for the precision of reactive LES. This study includes the description of an optimisation tools for the reduced chemical kinetics. The capacity of the LES to capture combustion instabilities in gas turbine chamber is also demonstrated. The acoustic energy analysis points out that the boundary impedances of the combustion systems are of prime importance for their stability. (author)

Chemical process control using Mat lab

International Nuclear Information System (INIS)

Kang, Sin Chun; Kim, Raeh Yeon; Kim, Yang Su; Oh, Min; Yeo, Yeong Gu; Jung, Yeon Su

2001-07-01

This book is about chemical process control, which includes the basis of process control with conception, function, composition of system and summary, change of laplace and linearization, modeling of chemical process, transfer function and block diagram, the first dynamic property of process, the second dynamic property of process, the dynamic property of combined process, control structure of feedback on component of control system, the dynamic property of feedback control loop, stability of closed loop control structure, expression of process, modification and composition of controller, analysis of vibration response and adjustment controller using vibration response.

Analysis on reduced chemical kinetic model of N-heptane for HCCI combustion. Paper no. IGEC-1-072

International Nuclear Information System (INIS)

Yao, M.; Zheng, Z.

2005-01-01

Because of high complexity coupled with multidimensional fluid dynamics, it is difficult to apply detailed chemical kinetic model to simulate practical engines. A reduced model of n-heptane has been developed on the basic of detailed mechanism by sensitivity analysis and reaction path analysis of every stage of combustion. The new reduced mechanism consists of 35 species and 41 reactions, and it is effective in engine condition. The results show that it gives predictions similar to the detailed model in ignition timing, in-cylinder temperature and pressure. Furthermore, the reduced mechanism can be used to simulate boundary condition of partial combustion in good agreement with the detailed mechanism. (author)

Combustion engineering

CERN Document Server

Ragland, Kenneth W

2011-01-01

Introduction to Combustion Engineering The Nature of Combustion Combustion Emissions Global Climate Change Sustainability World Energy Production Structure of the Book   Section I: Basic Concepts Fuels Gaseous Fuels Liquid Fuels Solid Fuels Problems Thermodynamics of Combustion Review of First Law Concepts Properties of Mixtures Combustion StoichiometryChemical EnergyChemical EquilibriumAdiabatic Flame TemperatureChemical Kinetics of CombustionElementary ReactionsChain ReactionsGlobal ReactionsNitric Oxide KineticsReactions at a Solid SurfaceProblemsReferences  Section II: Combustion of Gaseous and Vaporized FuelsFlamesLaminar Premixed FlamesLaminar Flame TheoryTurbulent Premixed FlamesExplosion LimitsDiffusion FlamesGas-Fired Furnaces and BoilersEnergy Balance and EfficiencyFuel SubstitutionResidential Gas BurnersIndustrial Gas BurnersUtility Gas BurnersLow Swirl Gas BurnersPremixed-Charge Engine CombustionIntroduction to the Spark Ignition EngineEngine EfficiencyOne-Zone Model of Combustion in a Piston-...

Study of physico-chemical release of uranium and plutonium oxides during the combustion of polycarbonate and of ruthenium during the combustion of solvents used in the reprocessing of nuclear fuel; Etude de la mise en suspension physico-chimique des oxydes de plutonium et d'uranium lors de la combustion de polycarbonate et de ruthenium lors de la combustion des solvants de retraitement du combustible irradie

Energy Technology Data Exchange (ETDEWEB)

Bouilloux, L

1998-07-01

The level of consequences concerning a fire in a nuclear facility is in part estimated by the quantities and the physico-chemical forms of radioactive compounds that may be emitted out of the facility. It is therefore necessary to study the contaminant release from the fire. Because of the multiplicity of the scenarios, two research subjects were retained. The first one concerns the study of the uranium or plutonium oxides chemical release during the combustion of the polycarbonate glove box sides. The second one is about the physico chemical characterisation of the ruthenium release during the combustion of an organic solvent mixture (tributyl phosphate-dodecane) used for the nuclear fuel reprocessing. Concerning the two research subjects, the chemical release, i.e. means the generation of contaminant compounds gaseous in the fire, was modelled using thermodynamical simulations. Experiments were done in order to determine the ruthenium release factor during solvent combustion. A cone calorimeter was used for small scale experiments. These results were then validated by large scale tests under conditions close to the industrial process. Thermodynamical simulations, for the two scenarios studied. Furthermore, the experiments on solvent combustion allowed the determination of a suitable ruthenium release factor. Finally, the mechanism responsible of the ruthenium release has been found. (author)

The effect of microwave pretreatment on chemical looping gasification of microalgae for syngas production

International Nuclear Information System (INIS)

Hu, Zhifeng; Ma, Xiaoqian; Jiang, Enchen

2017-01-01

Highlights: • Microwave pretreatment is beneficial to chemical-looping gasification reaction. • Gasification efficiency and gas yield increased greatly under microwave pretreatment. • 60 s is the optimal microwave pretreatment time in CLG to produce syngas. • Suitable microwave pretreatment can make the structure of solid residue become loose. • 750 W is the optimal microwave pretreatment power in CLG to produce syngas. - Abstract: Chemical-looping gasification (CLG) of Chlorella vulgaris was carried out in a quartz tube reactor under different microwave pretreatment. The product fractional yields, conversion efficiency and analysis of performance parameters were analyzed in order to obtain the characterization and optimal conditions of microwave pretreatment for syngas production. The results indicate that microwave pretreatment is conducive to CLG reaction. Furthermore, the higher power or the longer time in the process of microwave pretreatment could not exhibit a better effect on CLG. In addition, 750 W and 60 s is the optimal microwave pretreatment power and time respectively to obtain a great reducibility of oxygen carrier, high conversion efficiency, high products yield and good LHV. The H_2 yield, LHV, gasification efficiency and gas yield increased obviously from 18.12%, 12.14 MJ/Nm"3, 59.76% and 1.04 Nm"3/kg of untreated Chlorella vulgaris to 24.55%, 13.13 MJ/Nm"3, 72.16% and 1.16 Nm"3/kg of the optimal microwave pretreatment condition, respectively.

Power plant chemical technology

Energy Technology Data Exchange (ETDEWEB)

NONE

1996-12-01

17 contributions covering topies of fossil fuel combustion, flue gas cleaning, power plant materials, corrosion, water/steam cycle chemistry, monitoring and control were presented at the annual meeting devoted to Power Plant Chemical Technology 1996 at Kolding (Denmark) 4-6 September 1996. (EG)

Reduced chemical kinetic model of detonation combustion of one- and multi-fuel gaseous mixtures with air

Science.gov (United States)

Fomin, P. A.

2018-03-01

Two-step approximate models of chemical kinetics of detonation combustion of (i) one hydrocarbon fuel CnHm (for example, methane, propane, cyclohexane etc.) and (ii) multi-fuel gaseous mixtures (∑aiCniHmi) (for example, mixture of methane and propane, synthesis gas, benzene and kerosene) are presented for the first time. The models can be used for any stoichiometry, including fuel/fuels-rich mixtures, when reaction products contain molecules of carbon. Owing to the simplicity and high accuracy, the models can be used in multi-dimensional numerical calculations of detonation waves in corresponding gaseous mixtures. The models are in consistent with the second law of thermodynamics and Le Chatelier's principle. Constants of the models have a clear physical meaning. The models can be used for calculation thermodynamic parameters of the mixture in a state of chemical equilibrium.

Chemical and biological characterization of products of incomplete combustion from the simulated field burning of agricultural plastic.

Science.gov (United States)

Linak, W P; Ryan, J V; Perry, E; Williams, R W; DeMarini, D M

1989-06-01

Chemical and biological analyses were performed to characterize products of incomplete combustion emitted during the simulated open field burning of agricultural plastic. A small utility shed equipped with an air delivery system was used to simulate pile burning and forced-air-curtain incineration of a nonhalogenated agricultural plastic that reportedly consisted of polyethylene and carbon black. Emissions were analyzed for combustion gases; volatile, semi-volatile, and particulate organics; and toxic and mutagenic properties. Emission samples, as well as samples of the used (possibly pesticide-contaminated) plastic, were analyzed for the presence of several pesticides to which the plastic may have been exposed. Although a variety of alkanes, alkenes, and aromatic and polycyclic aromatic hydrocarbon (PAH) compounds were identified in the volatile, semi-volatile, and particulate fractions of these emissions, a substantial fraction of higher molecular weight organic material was not identified. No pesticides were identified in either combustion emission samples or dichloromethane washes of the used plastic. When mutagenicity was evaluated by exposing Salmonella bacteria (Ames assay) to whole vapor and vapor/particulate emissions, no toxic or mutagenic effects were observed. However, organic extracts of the particulate samples were moderately mutagenic. This mutagenicity compares approximately to that measured from residential wood heating on a revertant per unit heat release basis. Compared to pile burning, forced air slightly decreased the time necessary to burn a charge of plastic. There was not a substantial difference, however, in the variety or concentrations of organic compounds identified in samples from these two burn conditions. This study highlights the benefits of a combined chemical/biological approach to the characterization of complex, multi-component combustion emissions. These results may not reflect those of other types of plastic that may be used

Combustion

CERN Document Server

Glassman, Irvin

1987-01-01

Combustion, Second Edition focuses on the underlying principles of combustion and covers topics ranging from chemical thermodynamics and flame temperatures to chemical kinetics, detonation, ignition, and oxidation characteristics of fuels. Diffusion flames, flame phenomena in premixed combustible gases, and combustion of nonvolatile fuels are also discussed. This book consists of nine chapters and begins by introducing the reader to heats of reaction and formation, free energy and the equilibrium constants, and flame temperature calculations. The next chapter explores the rates of reactio

Chemical composition and speciation of particulate organic matter from modern residential small-scale wood combustion appliances.

Science.gov (United States)

Czech, Hendryk; Miersch, Toni; Orasche, Jürgen; Abbaszade, Gülcin; Sippula, Olli; Tissari, Jarkko; Michalke, Bernhard; Schnelle-Kreis, Jürgen; Streibel, Thorsten; Jokiniemi, Jorma; Zimmermann, Ralf

2018-01-15

Combustion technologies of small-scale wood combustion appliances are continuously developed decrease emissions of various pollutants and increase energy conversion. One strategy to reduce emissions is the implementation of air staging technology in secondary air supply, which became an established technique for modern wood combustion appliances. On that account, emissions from a modern masonry heater fuelled with three types of common logwood (beech, birch and spruce) and a modern pellet boiler fuelled with commercial softwood pellets were investigated, which refer to representative combustion appliances in northern Europe In particular, emphasis was put on the organic constituents of PM2.5, including polycyclic aromatic hydrocarbons (PAHs), oxygenated PAHs (OPAHs) and phenolic species, by targeted and non-targeted mass spectrometric analysis techniques. Compared to conventional wood stoves and pellet boilers, organic emissions from the modern appliances were reduced by at least one order of magnitude, but to a different extent for single species. Hence, characteristic ratios of emission constituents and emission profiles for wood combustion identification and speciation do not hold for this type of advanced combustion technology. Additionally, an overall substantial reduction of typical wood combustion markers, such as phenolic species and anhydrous sugars, were observed. Finally, it was found that slow ignition of log woods changes the distribution of characteristic resin acids and phytosterols as well as their thermal alteration products, which are used as markers for specific wood types. Our results should be considered for wood combustion identification in positive matrix factorisation or chemical mass balance in northern Europe. Copyright © 2017 Elsevier B.V. All rights reserved.

Chemical Sciences Division annual report 1994

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-06-01

The division is one of ten LBL research divisions. It is composed of individual research groups organized into 5 scientific areas: chemical physics, inorganic/organometallic chemistry, actinide chemistry, atomic physics, and chemical engineering. Studies include structure and reactivity of critical reaction intermediates, transients and dynamics of elementary chemical reactions, and heterogeneous and homogeneous catalysis. Work for others included studies of superconducting properties of high-{Tc} oxides. In FY 1994, the division neared completion of two end-stations and a beamline for the Advanced Light Source, which will be used for combustion and other studies. This document presents summaries of the studies.

A computational environment for creating and testing reduced chemical kinetic mechanisms

Energy Technology Data Exchange (ETDEWEB)

Montgomery, C.J.; Swensen, D.A.; Harding, T.V.; Cremer, M.A.; Bockelie, M.J. [Reaction Engineering International, Salt Lake City, UT (USA)

2002-02-01

This paper describes software called computer assisted reduced mechanism problem solving environment (CARM-PSE) that gives the engineer the ability to rapidly set up, run and examine large numbers of problems comparing detailed and reduced (approximate) chemistry. CARM-PSE integrates the automatic chemical mechanism reduction code CARM and the codes that simulate perfectly stirred reactors and plug flow reactors into a user-friendly computational environment. CARM-PSE gives the combustion engineer the ability to easily test chemical approximations over many hundreds of combinations of inputs in a multidimensional parameter space. The demonstration problems compare detailed and reduced chemical kinetic calculations for methane-air combustion, including nitrogen oxide formation, in a stirred reactor and selective non-catalytic reduction of NOx, in coal combustion flue gas.

Chemical Looping Combustion with Different Types of Liquid Fuels Combustion en boucle chimique avec différentes charges liquides

Directory of Open Access Journals (Sweden)

Hoteit A.

2011-02-01

Full Text Available CLC is a new promising combustion process for CO2 capture with less or even no energy penalty compared to other processes. Up to now, most of the work performed on CLC was conducted with gaseous or solid fuels, using methane and coal and/or pet coke. Liquid fuels such as heavy fuels resulting from oil distillation or conversion may also be interesting feedstocks to consider. However, liquid fuels are challenging feedstock to deal with in fluidized beds. The objective of the present work is therefore to investigate the feasibility of liquid feed injection and contact with oxygen carrier in CLC conditions in order to conduct partial or complete combustion of hydrocarbons. A batch experimental fluidized bed set-up was developed to contact alternatively oxygen carrier with liquid fuels or air. The 20 mm i.d. fluidized bed reactor was filled up with 45 g of NiAl0.44O1.67 and pulses of 1-2 g of liquid were injected in the bed at high temperatures up to 950˚C. Different feedstocks have been injected, from dodecane to heavy fuel oils No.2. Results show that, during the reduction period, it is possible to convert all the fuel injected and there is no coke remaining on particles at the end of the reduction step. Depending upon oxygen available in the bed, either full combustion or partial combustion can be achieved. Similar results were found with different liquid feeds, despite their different composition and properties. Le CLC est un nouveau concept prometteur appliqué à la combustion qui permet le captage de CO en minimisant la pénalité énergétique liée au captage. Jusqu’à présent, l’essentiel des travaux de recherche dans le domaine du CLC concerne les charges gazeuses (méthane et solides (charbon et coke. Les charges liquides, et particulièrement les résidus pétroliers, sont des charges également intéressantes à considérer a priori. La mise en oeuvre de ces charges en lit fluidisé est cependant délicate. L’objet de ce

Fifteenth combustion research conference

International Nuclear Information System (INIS)

1993-01-01

The BES research efforts cover chemical reaction theory, experimental dynamics and spectroscopy, thermodynamics of combustion intermediates, chemical kinetics, reaction mechanisms, combustion diagnostics, and fluid dynamics and chemically reacting flows. 98 papers and abstracts are included. Separate abstracts were prepared for the papers

Chemical Looping Combustion of Solid Fuels in a 10 kWth Unit Combustion de charge solide en boucle chimique dans une unité de 10 kWth

Directory of Open Access Journals (Sweden)

Berguerand N.

2011-02-01

Full Text Available The present study is based on previous results from batch experiments which were conducted in a 10 kWth chemical looping combustor for solid fuels using ilmenite, an iron titanium oxide, as the oxygen carrier with two solid fuels: a Mexican petroleum coke and a South African bituminous coal. These experiments involved testing at different fuel reactor temperatures, up to 1030°C, and different particle circulation rates between the air and fuel reactors. Previous results enabled modeling of the reactor system. In particular, it was possible to derive a correlation between measured operational data and actual circulation mass flow, as well as a model that describes the carbon capture efficiency as a function of the residence time and the char reactivity. Moreover, the kinetics of char conversion could be modeled and results showed good agreement with experimental values. The purpose of the present study was to complete these results by developing a model to predict the conversion of syngas with ilmenite in the fuel reactor. Here, kinetic data from investigations of ilmenite in TGA and batch fluidized bed reactors were used. Results were compared with the actual conversions during operation in this 10 kWth unit. Cette étude est basée sur des résultats antérieurs obtenus dans une unité de combustion de charges solides en boucle chimique d’une puissance de 10 kWth. Le transporteur d’oxygène utilisé est de l’ilménite, un minerai de fer et de titane, et les charges solides étudiées sont, d’une part, un coke de pétrole mexicain et, d’autre part, un charbon bitumineux sud africain. Les résultats expérimentaux ont été obtenus à des températures allant jusqu’à 1030°C avec différents débits de transporteur d’oxygène entre les réacteurs d’oxydation et de réduction. La modélisation de la combustion en boucle chimique de charges solides a déjà permis d’établir une corrélation entre le débit de circulation de

Method for the combustion of a gas, in fixed bed, with an oxidized solid and associated installation

OpenAIRE

Abanades García, Juan Carlos; Fernández García, José Ramón

2014-01-01

[EN] The present invention pertains to the field of the generation of energy from combustible gases, incorporating the capture of carbon dioxide for use or permanent storage and, specifically relates to cyclical methods of gas combustion with oxidized solids (chemical looping processes), in fixed bed, for solving the problem of controlling temperature in the combustion of gaseous fuels in fixed beds of metal oxides operating at high pressures, and also the associated installation.

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences. G Ranga Rao. Articles written in Journal of Chemical Sciences. Volume 113 Issue 5-6 October-December 2001 pp 651-658. XRD and UV-Vis diffuse reflectance analysis of CeO2-ZrO2 solid solutions synthesized by combustion method · G Ranga Rao H Ranjan Sahu.

Combustion of hydrogen-air jets in local chemical equilibrium: A guide to the CHARNAL computer program

Science.gov (United States)

Spalding, D. B.; Launder, B. E.; Morse, A. P.; Maples, G.

1974-01-01

A guide to a computer program, written in FORTRAN 4, for predicting the flow properties of turbulent mixing with combustion of a circular jet of hydrogen into a co-flowing stream of air is presented. The program, which is based upon the Imperial College group's PASSA series, solves differential equations for diffusion and dissipation of turbulent kinetic energy and also of the R.M.S. fluctuation of hydrogen concentration. The effective turbulent viscosity for use in the shear stress equation is computed. Chemical equilibrium is assumed throughout the flow.

Fuel spray combustion of waste cooking oil and palm oil biodiesel: Direct photography and detailed chemical kinetics

KAUST Repository

Kuti, Olawole

2013-10-14

This paper studies the ignition processes of two biodiesel from two different feedstock sources, namely waste cooked oil (WCO) and palm oil (PO). They were investigated using the direct photography through high-speed video observations and detailed chemical kinetics. The detailed chemical kinetics modeling was carried out to complement data acquired using the high-speed video observations. For the high-speed video observations, an image intensifier combined with OH* filter connected to a high-speed video camera was used to obtain OH* chemiluminscence image near 313 nm. The OH* images were used to obtain the experimental ignition delay of the biodiesel fuels. For the high-speed video observations, experiments were done at an injection pressure of 100, 200 and 300 MPa using a 0.16 mm injector nozzle. Also a detailed chemical kinetics for the biodiesel fuels was carried out using ac chemical kinetics solver adopting a 0-D reactor model to obtain the chemical ignition delay of the combusting fuels. Equivalence ratios obtained from the experimental ignition delay were used for the detailed chemical kinetics analyses. The Politecnico di Milano\\'s thermochemical and reaction kinetic data were adopted to simulate the ignition processes of the biodiesels using the five fatty acid methyl esters (FAME) major components in the biodiesel fuels. From the high-speed video observations, it was observed that at increasing injection pressure, experimental ignition delay increased as a result of improvement in fuel and air mixing effects. Also the palm oil biodiesel has a shorter ignition delay compared to waste cooked oil biodiesel. This phenomenon could be attributed to the higher cetane number of palm biodiesel. The fuel spray ignition properties depend on both the physical ignition delay and chemical ignition delay. From the detailed chemical kinetic results it was observed that at the low temperature, high ambient pressure conditions reactivity increased as equivalent ratio

Fuel spray combustion of waste cooking oil and palm oil biodiesel: Direct photography and detailed chemical kinetics

KAUST Repository

Kuti, Olawole; Nishida, Keiya; Sarathy, Mani; Zhu, Jingyu

2013-01-01

This paper studies the ignition processes of two biodiesel from two different feedstock sources, namely waste cooked oil (WCO) and palm oil (PO). They were investigated using the direct photography through high-speed video observations and detailed chemical kinetics. The detailed chemical kinetics modeling was carried out to complement data acquired using the high-speed video observations. For the high-speed video observations, an image intensifier combined with OH* filter connected to a high-speed video camera was used to obtain OH* chemiluminscence image near 313 nm. The OH* images were used to obtain the experimental ignition delay of the biodiesel fuels. For the high-speed video observations, experiments were done at an injection pressure of 100, 200 and 300 MPa using a 0.16 mm injector nozzle. Also a detailed chemical kinetics for the biodiesel fuels was carried out using ac chemical kinetics solver adopting a 0-D reactor model to obtain the chemical ignition delay of the combusting fuels. Equivalence ratios obtained from the experimental ignition delay were used for the detailed chemical kinetics analyses. The Politecnico di Milano's thermochemical and reaction kinetic data were adopted to simulate the ignition processes of the biodiesels using the five fatty acid methyl esters (FAME) major components in the biodiesel fuels. From the high-speed video observations, it was observed that at increasing injection pressure, experimental ignition delay increased as a result of improvement in fuel and air mixing effects. Also the palm oil biodiesel has a shorter ignition delay compared to waste cooked oil biodiesel. This phenomenon could be attributed to the higher cetane number of palm biodiesel. The fuel spray ignition properties depend on both the physical ignition delay and chemical ignition delay. From the detailed chemical kinetic results it was observed that at the low temperature, high ambient pressure conditions reactivity increased as equivalent ratio

The significance of feedback control for chemical sensors

NARCIS (Netherlands)

Bergveld, Piet

1992-01-01

The conventional way of applying chemical sensors is in an open-loop configuration. A parameter of the chemical domain, such as a gas or ion concentration, is converted into a parameter of the mechanical or electrical domain, often with non-linear transfer characteristics. The paramagnetic oxygen

Chemical decontamination method in nuclear facility system

International Nuclear Information System (INIS)

Takahashi, Ryota; Sakai, Hitoshi; Oka, Shigehiro.

1996-01-01

Pumps and valves in a closed recycling loop system incorporating materials to be chemically decontaminated are decomposed, a guide plate having the decomposed parts as an exit/inlet of a decontaminating liquid is formed, and a decontaminating liquid recycling loop comprising a recycling pump and a heater is connected to the guide plate. Decontaminating liquid from a decontaminating liquid storage tank is supplied to the decontaminating liquid recycling loop. With such constitutions, the decontaminating liquid is filled in the recycling closed loop system incorporating materials to be decontaminated, and the materials to be decontaminated are chemically decontaminated. The decontaminating liquid after the decontamination is discharged and flows, if necessary, in a recycling system channel for repeating supply and discharge. After the decontamination, the guide plate is removed and returned to the original recycling loop. When pipelines of a reactor recycling system are decontaminated, the amount of decontaminations can be decreased, and reforming construction for assembling the recycling loop again, which requires cutting for pipelines in the system is no more necessary. Accordingly, the amount of wastes can be decreased, and therefore, the decontamination operation is facilitated and radiation dose can be reduced. (T.M.)

Hot spot detection system for vanes or blades of a combustion turbine

Science.gov (United States)

Twerdochlib, M.

1999-02-02

This invention includes a detection system that can determine if a turbine component, such as a turbine vane or blade, has exceeded a critical temperature, such as a melting point, along any point along the entire surface of the vane or blade. This system can be employed in a conventional combustion turbine having a compressor, a combustor and a turbine section. Included within this system is a chemical coating disposed along the entire interior surface of a vane or blade and a closed loop cooling system that circulates a coolant through the interior of the vane or blade. If the temperature of the vane or blade exceeds a critical temperature, the chemical coating will be expelled from the vane or blade into the coolant. Since while traversing the closed loop cooling system the coolant passes through a detector, the presence of the chemical coating in the coolant will be sensed by the system. If the chemical coating is detected, this indicates that the vane or blade has exceeded a critical temperature. 5 figs.

Simulating Chemical Kinetics Without Differential Equations: A Quantitative Theory Based on Chemical Pathways.

Science.gov (United States)

Bai, Shirong; Skodje, Rex T

2017-08-17

A new approach is presented for simulating the time-evolution of chemically reactive systems. This method provides an alternative to conventional modeling of mass-action kinetics that involves solving differential equations for the species concentrations. The method presented here avoids the need to solve the rate equations by switching to a representation based on chemical pathways. In the Sum Over Histories Representation (or SOHR) method, any time-dependent kinetic observable, such as concentration, is written as a linear combination of probabilities for chemical pathways leading to a desired outcome. In this work, an iterative method is introduced that allows the time-dependent pathway probabilities to be generated from a knowledge of the elementary rate coefficients, thus avoiding the pitfalls involved in solving the differential equations of kinetics. The method is successfully applied to the model Lotka-Volterra system and to a realistic H 2 combustion model.

Effect of Ash on Oxygen Carriers for the Application of Chemical Looping Combustion to a High Carbon Char Effet des cendres sur l’activité des porteurs d’oxygène dans la combustion du charbon en boucle chimique

Directory of Open Access Journals (Sweden)

Rubel A.

2011-02-01

Full Text Available The application of Chemical Looping Combustion (CLC to solid fuels is being investigated at the University of Kentucky, Center for Applied Energy Research (CAER with the aim of the development of a Pressurized Chemical Looping Combustion/Gasification (PCLC/G process for the generation of electricity from coal. One important aspect of the CLC of solid fuel is the understanding of the effect of ash on the reactivity of Oxygen Carriers (OCs. The effect of ash on the redox capabilities of two different iron oxide OCs and on their ability to oxidize coal char was studied. To determine the effect of ash on the reactivity and recycle of the OCs through multiple redox cycles, fly ash from a coal-fired power plant was used. These experiments were performed in a TGMS system using 500 mg of ash/OC mixtures containing different ash concentrations up to 75%. The reducing gas was composed of 10% H2, 15% CO, 20% CO2, and a balance of Ar and the oxidizing gas was 20% O2 in Ar. Oxidation/reductions were carried to near completion. The ash was found to contain OC activity related to inherent iron present in the ash confirmed by XRD. This resulted in increased weight gain/loss on oxidation/reduction. The rate of oxidation/reduction increased with ash concentration due to increased porosity of the OC/ash mixture and better access of the reactive gases to the OC target sites. The two OCs were then used to combust a beneficiated coal char in the TGMS with the only oxygen supplied by an iron oxide OC. The starting mixture was 10% char and 90% of one of two OCs studied. The spent material containing reduced OC and ash was re-oxidized and 10% more char was added for a second reduction of the OC and oxidation of the added char. This procedure was repeated for 5 cycles increasing the ash concentrations from 5 to 25% in the char/ash/OC mixture. Carbon removal was 92 to 97.8 and 97.3 to 99.7% for the two different iron oxide OCs tested. Ash was not detrimental to the

Chemical speciation of PM2.5 emissions from residential wood combustion and meat cooking

International Nuclear Information System (INIS)

McDonald, J.; Zielinska, B.; Fujita, E.; Chow, J.; Watson, J.; Sagebiel, J.; Sheetz, L.; Batie, S.

1998-01-01

Residential wood combustion and meat cooking emissions were each analyzed to develop a chemical emissions profile. Samples were collected using a DRI-constructed dilution stack sampler equipped with a 2.5 mm particle selective cyclone. Emissions were diluted 30-100 times, cooled to ambient temperature, and were allowed 80 seconds for condensation prior to collection. Fireplace and wood-stove emissions testing was conducted at the DRI facilities. Wood type, wood moisture, burn rate, and fuel load were varied for different experiments. Meat emissions testing was conducted at the CE-CERT stationary emissions lab in Riverside, California. Meat type, fat content, and the cooking appliance used were changed in different tests. Fine particle and semi-volatile organic compounds were collected on filter/PUF/XAD/PUF cartridges. Inorganic samples were collected on Teflon and quartz filters, which were analyzed for mass by gravimetry, elements by x-ray fluorescence, ammonium by automated colorimetry, organic and elemental carbon by thermal/optical reflectance, as well as chloride, nitrate, and sulfate by ion chromatography. Analysis of organic species was conducted by gas chromatography/mass spectrometry (GC/MS). These data have been utilized for constructing specific profiles for use in the Chemical Mass Balance model for apportionment of fine particle sources in the Denver, Colorado, region

Assessment of chemical vulnerabilities in the Hanford high-level waste tanks

International Nuclear Information System (INIS)

Meacham, J.E.

1996-01-01

The purpose of this report is to summarize results of relevant data (tank farm and laboratory) and analysis related to potential chemical vulnerabilities of the Hanford Site waste tanks. Potential chemical safety vulnerabilities examined include spontaneous runaway reactions, condensed phase waste combustibility, and tank headspace flammability. The major conclusions of the report are the following: Spontaneous runaway reactions are not credible; condensed phase combustion is not likely; and periodic releases of flammable gas can be mitigated by interim stabilization

Aspects chimiques de la combustion du charbon pulvérisé. Première partie Chemical Aspects of the Combustion of Pulverized Coal. Part One

Directory of Open Access Journals (Sweden)

De Soete G. G.

2006-11-01

deux mécanismes totalement différents, par exemple entre le mécanisme d'ignition homogène et le mécanisme d'ignition hétérogène du charbon, avec des conséquences pratiques pour la stabilisation de la flamme industrielle ; autre exemple : la compétition entre les divers mécanismes homogènes de formation d'oxydes d'azote et les mécanismes hétérogènes de leur réduction sur des particules solides de coke, de suie et de cendre. Avec ces idées présentes comme un leitmotiv implicite, on passe en revue les grandes étapes de la flamme industrielle de charbon pulvérisé : la dévolatilisation rapide avec la formation progressive de volatils gazeux, de goudrons et de coke ; la transformation partielle des produits gazeux et liquides de pyrolyse en suies ainsi que leur oxydation en phase gazeuse ; la combustion hétérogène du coke ; l'ignition du charbon et sa dépendance par rapport à des processus critiques homogènes et (ou hétérogènes. Comme exemple typique d'un épiphénomènechimique, on suit la transformation des espèces azotées en NO et en N2, qui se greffe en contrepoint et à chaque pas sur tes différents thèmes successifs de cette symphonie de l'oxydation du charbon. En de nombreux points de cette évolution du charbon à travers la flamme, les connaissances de la chimie de com-bustion en phase gazeuse constituent un instrument utile d'interprétation (par exemple : pour l'oxydation des volatils, pour la discussion des modalités d'ignition. II n'en reste pas moins vrai que la plupart des problèmes chimiques hétérogènes sont bien spécifiques de la flamme de charbon ; leur traitement est rendu ardu à cause de la complexité, évolutive au cours de la combustion, du combustible solide lui-même. It is not easy to obtain a full picture of the multiple chemical phenomena which occur inside a pulverized coal flame. This bibliographie review attempts to give more than just a juxtaposition of data from the recent literature and risks making

The 5S rRNA loop E: chemical probing and phylogenetic data versus crystal structure.

Science.gov (United States)

Leontis, N B; Westhof, E

1998-09-01

A significant fraction of the bases in a folded, structured RNA molecule participate in noncanonical base pairing interactions, often in the context of internal loops or multi-helix junction loops. The appearance of each new high-resolution RNA structure provides welcome data to guide efforts to understand and predict RNA 3D structure, especially when the RNA in question is a functionally conserved molecule. The recent publication of the crystal structure of the "Loop E" region of bacterial 5S ribosomal RNA is such an event [Correll CC, Freeborn B, Moore PB, Steitz TA, 1997, Cell 91:705-712]. In addition to providing more examples of already established noncanonical base pairs, such as purine-purine sheared pairings, trans-Hoogsteen UA, and GU wobble pairs, the structure provides the first high-resolution views of two new purine-purine pairings and a new GU pairing. The goal of the present analysis is to expand the capabilities of both chemical probing and phylogenetic analysis to predict with greater accuracy the structures of RNA molecules. First, in light of existing chemical probing data, we investigate what lessons could be learned regarding the interpretation of this widely used method of RNA structure probing. Then we analyze the 3D structure with reference to molecular phylogeny data (assuming conservation of function) to discover what alternative base pairings are geometrically compatible with the structure. The comparisons between previous modeling efforts and crystal structures show that the intricate involvements of ions and water molecules in the maintenance of non-Watson-Crick pairs render the process of correctly identifying the interacting sites in such pairs treacherous, except in cases of trans-Hoogsteen A/U or sheared A/G pairs for the adenine N1 site. The phylogenetic analysis identifies A/A, A/C, A/U and C/A, C/C, and C/U pairings isosteric with sheared A/G, as well as A/A and A/C pairings isosteric with both G/U and G/G bifurcated pairings

Advanced oxidation technologies for chemical demilitarization

Energy Technology Data Exchange (ETDEWEB)

Rosocha, L.A.; Korzekwa, R.A.; Monagle, M.; Coogan, J.J.; Tennant, R.A.; Brown, L.F.; Currier, R.P.

1996-12-31

This is the final report of a one-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory. The main project objective was to establish a technical basis for future program development in the area of chemical warfare agent destruction using a Los Alamos-developed advanced oxidation process: a two-stage device consisting of thermal packed-bed reactor (PBR) and a nonthermal plasma (NTP) reactor. Various compounds were evaluated as potential surrogates for chemical warfare (CW) agents. Representative effluent mass balances were projected for future comparisons with incinerators. The design and construction of lab-scale PBR/NTP reactors (consisting of a liquid injection and metering system, electric furnace, condensers, chemical traps, plasma reactors, power supplies, and chemical diagnostics) has been completed. This equipment, the experience gained from chemical-processing experiments, process modeling, and an initial demonstration of the feasibility of closed-loop operation, have provided a technical basis for further demonstrations and program development efforts.

Two-color QCD with non-zero chiral chemical potential

Energy Technology Data Exchange (ETDEWEB)

Braguta, V.V. [Institute for High Energy Physics NRC “Kurchatov Institute' ,142281 Protvino (Russian Federation); Far Eastern Federal University, School of Biomedicine,690950 Vladivostok (Russian Federation); Goy, V.A. [Far Eastern Federal University, School of Natural Sciences,690950 Vladivostok (Russian Federation); Ilgenfritz, E.M. [Joint Institute for Nuclear Research,BLTP, 141980 Dubna (Russian Federation); Kotov, A.Yu. [Institute of Theoretical and Experimental Physics,117259 Moscow (Russian Federation); Molochkov, A.V. [Far Eastern Federal University, School of Biomedicine,690950 Vladivostok (Russian Federation); Müller-Preussker, M.; Petersson, B. [Humboldt-Universität zu Berlin, Institut für Physik,12489 Berlin (Germany)

2015-06-16

The phase diagram of two-color QCD with non-zero chiral chemical potential is studied by means of lattice simulation. We focus on the influence of a chiral chemical potential on the confinement/deconfinement phase transition and the breaking/restoration of chiral symmetry. The simulation is carried out with dynamical staggered fermions without rooting. The dependences of the Polyakov loop, the chiral condensate and the corresponding susceptibilities on the chiral chemical potential and the temperature are presented. The critical temperature is observed to increase with increasing chiral chemical potential.

Advanced closed loop combustion control of a LTC diesel engine based on in-cylinder pressure signals

International Nuclear Information System (INIS)

Carlucci, A.P.; Laforgia, D.; Motz, S.; Saracino, R.; Wenzel, S.P.

2014-01-01

Highlights: • We have proposed an in-cylinder pressure-based closed loop combustion control. • We have tested the control on an engine at the test bench. • We have tested the control on the engine equipping a Euro 6-compliant vehicle. • The control is effective in increasing torque stability and reduce engine noise. - Abstract: The adoption of diesel LTC combustion concepts is widely recognised as a practical way to reduce simultaneously nitric oxides and particulate emission levels from diesel internal combustion engines. However, several challenges have to be faced up when implementing diesel LTC concepts in real application vehicles. In particular, achieving acceptable performance concerning the drivability comfort, in terms of output torque stability and combustion noise during engine dynamic transients, is generally a critical point. One of the most promising solutions to improve the LTC combustion operation lays in the exploitation of closed loop combustion control, based on in-cylinder pressure signals. In this work, the application of an in-cylinder pressure-based closed loop combustion control to a Euro 6-compliant demonstrator vehicle has been developed. The main challenges deriving from the control of the LTC combustion, directly affecting the engine/vehicle performance, have been analysed in detail. In order to overcome these drawbacks, a new control function, integrated into the base closed loop system, has been designed. The performance of the new function have been experimentally tested at the engine test bench. Results showed a significant enhancement of the LTC operation, in terms of both combustion stability and noise reduction during engine transients. The new function was also implemented on a real vehicle, thus proving the potential of the new control concept in realistic operating conditions

Chemical and Physical Properties of Hi-Cal-2

Science.gov (United States)

Spakowski, A. E.; Allen, Harrison, Jr.; Caves, Robert M.

1955-01-01

As part of the Navy Project Zip to consider various boron-containing materials as possible high-energy fuels, the chemical and physical properties of Hi-Cal-2 prepared by the Callery Chemical Company were evaluated at the NACA Lewis laboratory. Elemental chemical analysis, heat of combustion, vapor pressure and decomposition, freezing point, density, self ignition temperature, flash point, and blow-out velocity were determined for the fuel. Although the precision of measurement of these properties was not equal to that obtained for hydrocarbons, this special release research memorandum was prepared to make the data available as soon as possible.

Molecular codes in biological and chemical reaction networks.

Directory of Open Access Journals (Sweden)

Dennis Görlich

Full Text Available Shannon's theory of communication has been very successfully applied for the analysis of biological information. However, the theory neglects semantic and pragmatic aspects and thus cannot directly be applied to distinguish between (bio- chemical systems able to process "meaningful" information from those that do not. Here, we present a formal method to assess a system's semantic capacity by analyzing a reaction network's capability to implement molecular codes. We analyzed models of chemical systems (martian atmosphere chemistry and various combustion chemistries, biochemical systems (gene expression, gene translation, and phosphorylation signaling cascades, an artificial chemistry, and random reaction networks. Our study suggests that different chemical systems possess different semantic capacities. No semantic capacity was found in the model of the martian atmosphere chemistry, the studied combustion chemistries, and highly connected random networks, i.e. with these chemistries molecular codes cannot be implemented. High semantic capacity was found in the studied biochemical systems and in random reaction networks where the number of second order reactions is twice the number of species. We conclude that our approach can be applied to evaluate the information processing capabilities of a chemical system and may thus be a useful tool to understand the origin and evolution of meaningful information, e.g. in the context of the origin of life.

Chemical potentials in gauge theories

International Nuclear Information System (INIS)

Actor, A.; Pennsylvania State Univ., Fogelsville

1985-01-01

One-loop calculations of the thermodynamic potential Ω are presented for temperature gauge and non-gauge theories. Prototypical formulae are derived which give Ω as a function of both (i) boson and/or fermion chemical potential, and in the case of gauge theories (ii) the thermal vacuum parameter Asub(O)=const (Asub(μ) is the euclidean gauge potential). From these basic abelian gauge theory formulae, the one-loop contribution to Ω can readily be constructed for Yang-Mills theories, and also for non-gauge theories. (orig.)

Chemical, structural and combustion characteristics of carbonaceous products obtained by hydrothermal carbonization of palm empty fruit bunches.

Science.gov (United States)

Parshetti, Ganesh K; Kent Hoekman, S; Balasubramanian, Rajasekhar

2013-05-01

A carbon-rich solid product, denoted as hydrochar, was synthesized by hydrothermal carbonization (HTC) of palm oil empty fruit bunch (EFB), at different pre-treatment temperatures of 150, 250 and 350 °C. The conversion of the raw biomass to its hydrochar occurred via dehydration and decarboxylation processes. The hydrochar produced at 350 °C had the maximum energy-density (>27 MJ kg(-1)) with 68.52% of raw EFB energy retained in the char. To gain a detailed insight into the chemical and structural properties, carbonaceous hydrochar materials were characterized by FE-SEM, FT-IR, XRD and Brunauer-Emmett-Teller (BET) analyses. This work also investigated the influence of hydrothermally treated hydrochars on the co-combustion characteristics of low rank Indonesian coal. Conventional thermal gravimetric analysis (TGA) parameters, kinetics and activation energy of different hydrochar and coal blends were estimated. Our results show that solid hydrochars improve the combustion of low rank coals for energy generation. Copyright © 2012 Elsevier Ltd. All rights reserved.

Chemical looping coal gasification with calcium ferrite and barium ferrite via solid–solid reactions

International Nuclear Information System (INIS)

Siriwardane, Ranjani; Riley, Jarrett; Tian, Hanjing; Richards, George

2016-01-01

Highlights: • BaFe 2 O 4 and CaFe 2 O 4 are excellent for chemical looping coal gasification. • BaFe 2 O 4 and CaFe 2 O 4 have minimal reactivity with synthesis gas. • Steam enhances the gasification process with these oxygen carriers. • Reaction rates of steam gasification of coal with CaFe 2 O 4 was better than with gaseous oxygen. • Coal gasification appears to be via solid–solid interaction with the oxygen carrier. - Abstract: Coal gasification to produce synthesis gas by chemical looping was investigated with two oxygen carriers, barium ferrite (BaFe 2 O 4 ) and calcium ferrite (CaFe 2 O 4 ). Thermo-gravimetric analysis (TGA) and fixed-bed flow reactor data indicated that a solid–solid interaction occurred between oxygen carriers and coal to produce synthesis gas. Both thermodynamic analysis and experimental data indicated that BaFe 2 O 4 and CaFe 2 O 4 have high reactivity with coal but have a low reactivity with synthesis gas, which makes them very attractive for the coal gasification process. Adding steam increased the production of hydrogen (H 2 ) and carbon monoxide (CO), but carbon dioxide (CO 2 ) remained low because these oxygen carriers have minimal reactivity with H 2 and CO. Therefore, the combined steam–oxygen carrier produced the highest quantity of synthesis gas. It appeared that neither the water–gas shift reaction nor the water splitting reaction promoted additional H 2 formation with the oxygen carriers when steam was present. Wyodak coal, which is a sub-bituminous coal, had the best gasification yield with oxygen carrier–steam while Illinois #6 coal had the lowest. The rate of gasification and selectivity for synthesis gas production was significantly higher when these oxygen carriers were present during steam gasification of coal. The rates and synthesis gas yields during the temperature ramps of coal–steam with oxygen carriers were better than with gaseous oxygen.

Exergy analysis of a coal/biomass co-hydrogasification based chemical looping power generation system

International Nuclear Information System (INIS)

Yan, Linbo; Yue, Guangxi; He, Boshu

2015-01-01

Power generation from co-utilization of coal and biomass is very attractive since this technology can not only save the coal resource but make sufficient utilization of biomass. In addition, with this concept, net carbon discharge per unit electric power generation can also be sharply reduced. In this work, a coal/biomass co-hydrogasification based chemical looping power generation system is presented and analyzed with the assistance of Aspen Plus. The effects of different operating conditions including the biomass mass fraction, R_b, the hydrogen recycle ratio, R_h_r, the hydrogasification pressure, P_h_g, the iron to fuel mole ratio, R_i_f, the reducer temperature, T_r_e, the oxidizer temperature, T_o_x, and the fuel utilization factor, U_f of the SOFC (solid oxide fuel cell) on the system operation results including the energy efficiency, η_e, the total energy efficiency, η_t_e, the exergy efficiency, η_e_x, the total exergy efficiency, η_t_e_x and the carbon capture rate, η_c_c, are analyzed. The energy and exergy balances of the whole system are also calculated and the corresponding Sankey diagram and Grassmann diagram are drawn. Under the benchmark condition, exergy efficiencies of different units in the system are calculated. η_t_e, η_t_e_x and η_c_c of the system are also found to be 43.6%, 41.2% and 99.1%, respectively. - Highlights: • A coal/biomass co-hydrogasification based chemical looping power generation system is setup. • Sankey and Grassmann diagrams are presented based on the energy and exergy balance calculations. • Sensitivity analysis is done to understand the system operation characteristics. • Total energy and exergy efficiencies of this system can be 43.6% and 41.2%, respectively. • About 99.1% of the carbon contained in coal and biomass can be captured in this system.

Chemical energy in electro arc furnace - examples from experience

International Nuclear Information System (INIS)

Shushlevski, Ljupcho; Georgievski, Panche; Hadzhidaovski, Ilija

2004-01-01

Great competition on the market in steel-producing and chemical lack of electrical energy leads to realization of new project in section Steelworks AD 'Makstil' - Skopje named: 'Substitution of electrical energy i.e. entering of additional chemical energy in Electrical arc furnace for steel melting using fuels-naturual gas (CH 4 ), oxygen (O 2 ) and carbon (C)'. It is accumulate experience from two and one half year of intensive use of chemical energy with its accompanying problems, appropriate efficiency and economy in process for steel producing. In 2001 year we announced and described project for using of an additional alternative chemical energy in aggregate Electrical are furnace. In this work we will present realization, working experience and efficiency of the system for generating chemical energy. Practical realization needs serious approach in chemical energy usage The usage of chemical energy brings restrictions and needs many innovation for protection of equipment from shown aggressiveness during the combustion of fuel gasses. (Author)

Modeling turbulence structure. Chemical kinetics interaction in turbulent reactive flows

Energy Technology Data Exchange (ETDEWEB)

Magnussen, B F [The Norwegian Univ. of Science and Technology, Trondheim (Norway)

1998-12-31

The challenge of the mathematical modelling is to transfer basic physical knowledge into a mathematical formulation such that this knowledge can be utilized in computational simulation of practical problems. The combustion phenomena can be subdivided into a large set of interconnected phenomena like flow, turbulence, thermodynamics, chemical kinetics, radiation, extinction, ignition etc. Combustion in one application differs from combustion in another area by the relative importance of the various phenomena. The difference in fuel, geometry and operational conditions often causes the differences. The computer offers the opportunity to treat the individual phenomena and their interactions by models with wide operational domains. The relative magnitude of the various phenomena therefore becomes the consequence of operational conditions and geometry and need not to be specified on the basis of experience for the given problem. In mathematical modelling of turbulent combustion, one of the big challenges is how to treat the interaction between the chemical reactions and the fluid flow i.e. the turbulence. Different scientists adhere to different concepts like the laminar flamelet approach, the pdf approach of the Eddy Dissipation Concept. Each of these approaches offers different opportunities and problems. All these models are based on a sound physical basis, however none of these have general validity in taking into consideration all detail of the physical chemical interaction. The merits of the models can only be judged by their ability to reproduce physical reality and consequences of operational and geometric conditions in a combustion system. The presentation demonstrates and discusses the development of a coherent combustion technology for energy conversion and safety based on the Eddy Dissipation Concept by Magnussen. (author) 30 refs.

Modeling turbulence structure. Chemical kinetics interaction in turbulent reactive flows

Energy Technology Data Exchange (ETDEWEB)

Magnussen, B.F. [The Norwegian Univ. of Science and Technology, Trondheim (Norway)

1997-12-31

The challenge of the mathematical modelling is to transfer basic physical knowledge into a mathematical formulation such that this knowledge can be utilized in computational simulation of practical problems. The combustion phenomena can be subdivided into a large set of interconnected phenomena like flow, turbulence, thermodynamics, chemical kinetics, radiation, extinction, ignition etc. Combustion in one application differs from combustion in another area by the relative importance of the various phenomena. The difference in fuel, geometry and operational conditions often causes the differences. The computer offers the opportunity to treat the individual phenomena and their interactions by models with wide operational domains. The relative magnitude of the various phenomena therefore becomes the consequence of operational conditions and geometry and need not to be specified on the basis of experience for the given problem. In mathematical modelling of turbulent combustion, one of the big challenges is how to treat the interaction between the chemical reactions and the fluid flow i.e. the turbulence. Different scientists adhere to different concepts like the laminar flamelet approach, the pdf approach of the Eddy Dissipation Concept. Each of these approaches offers different opportunities and problems. All these models are based on a sound physical basis, however none of these have general validity in taking into consideration all detail of the physical chemical interaction. The merits of the models can only be judged by their ability to reproduce physical reality and consequences of operational and geometric conditions in a combustion system. The presentation demonstrates and discusses the development of a coherent combustion technology for energy conversion and safety based on the Eddy Dissipation Concept by Magnussen. (author) 30 refs.

Chemical kinetics and oil shale process design

Energy Technology Data Exchange (ETDEWEB)

Burnham, A.K.

1993-07-01

Oil shale processes are reviewed with the goal of showing how chemical kinetics influences the design and operation of different processes for different types of oil shale. Reaction kinetics are presented for organic pyrolysis, carbon combustion, carbonate decomposition, and sulfur and nitrogen reactions.

Femtosecond laser control of chemical reaction of carbon monoxide and hydrogen

CSIR Research Space (South Africa)

Du Plessis, A

2010-09-01

Full Text Available Femtosecond laser control of chemical reactions is made possible through the use of pulse-shaping techniques coupled to a learning algorithm feedback loop – teaching the laser pulse to control the chemical reaction. This can result in controllable...

Chemical looping fluidized-bed concentrating solar power system and method

Science.gov (United States)

Ma, Zhiwen

2017-07-11

A concentrated solar power (CSP) plant comprises a receiver configured to contain a chemical substance for a chemical reaction and an array of heliostats. Each heliostat is configured to direct sunlight toward the receiver. The receiver is configured to transfer thermal energy from the sunlight to the chemical substance in a reduction reaction. The CSP plant further comprises a first storage container configured to store solid state particles produced by the reduction reaction and a heat exchanger configured to combine the solid state particles and gas through an oxidation reaction. The heat exchanger is configured to transfer heat produced in the oxidation reaction to a working fluid to heat the working fluid. The CSP plant further comprises a power turbine coupled to the heat exchanger, such that the heated working fluid turns the power turbine, and a generator coupled to and driven by the power turbine to generate electricity.

Mercury from combustion sources: a review of the chemical species emitted and their transport in the atmosphere

International Nuclear Information System (INIS)

Carpi, A.

1997-01-01

Different species of mercury have different physical/chemical properties and thus behave quite differentially in air pollution control equipment and in the atmosphere. In general, emission of mercury from coal combustion sources are approximately 20-50% elemental mercury (Hg 0 ) and 50-80% divalent mercury (Hg(II)), which may be predominantly HgCl 2 . Emissions of mercury from waste incinerators are approximately 10-20% Hg 0 and 75-85% Hg(II). The partitioning of mercury in flue gas between the elemental and divalent forms may be dependent on the concentration of particulate carbon, HCl and other pollutants in the stack emissions. The emission of mercury from combustion facilities depends on the species in the exhaust stream and the type of air pollution control equipment used at the source. Air pollution control equipment for mercury removal at combustion facilities includes activated carbon injection, sodium sulfide injection and wet lime/limestone flue gas desulfurization. White Hg(II) is water-soluble and may be removed form the atmosphere by wet and dry deposition close to the combustion sources, the combination of a high vapor pressure and low water-solubility facilitate the long-range transport of Hg 0 in the atmosphere. Background mercury in the atmosphere is predominantly Hg 0 . Elemental mercury is eventually removed from the atmosphere by dry deposition onto surfaces and by wet deposition after oxidation to water-soluble, divalent mercury. 62 refs., 2 figs., 1 tab

Overview of recent advances in thermo-chemical conversion of biomass

International Nuclear Information System (INIS)

Zhang Linghong; Xu Chunbao; Champagne, Pascale

2010-01-01

Energy from biomass, bioenergy, is a perspective source to replace fossil fuels in the future, as it is abundant, clean, and carbon dioxide neutral. Biomass can be combusted directly to generate heat and electricity, and by means of thermo-chemical and bio-chemical processes it can be converted into bio-fuels in the forms of solid (e.g., charcoal), liquid (e.g., bio-oils, methanol and ethanol), and gas (e.g., methane and hydrogen), which can be used further for heat and power generation. This paper provides an overview of the principles, reactions, and applications of four fundamental thermo-chemical processes (combustion, pyrolysis, gasification, and liquefaction) for bioenergy production, as well as recent developments in these technologies. Some advanced thermo-chemical processes, including co-firing/co-combustion of biomass with coal or natural gas, fast pyrolysis, plasma gasification and supercritical water gasification, are introduced. The advantages and disadvantages, potential for future applications and challenges of these processes are discussed. The co-firing of biomass and coal is the easiest and most economical approach for the generation of bioenergy on a large-sale. Fast pyrolysis has attracted attention as it is to date the only industrially available technology for the production of bio-oils. Plasma techniques, due to their high destruction and reduction efficiencies for any form of waste, have great application potential for hazardous waste treatment. Supercritical water gasification is a promising approach for hydrogen generation from biomass feedstocks, especially those with high moisture contents.

Investigation of Spark Ignition and Autoignition in Methane and Air Using Computational Fluid Dynamics and Chemical Reaction Kinetics. A numerical Study of Ignition Processes in Internal Combustion Engines

Energy Technology Data Exchange (ETDEWEB)

Nordrik, R.

1993-12-01

The processes in the combustion chamber of internal combustion engines have received increased attention in recent years because their efficiencies are important both economically and environmentally. This doctoral thesis studies the ignition phenomena by means of numerical simulation methods. The fundamental physical relations include flow field conservation equations, thermodynamics, chemical reaction kinetics, transport properties and spark modelling. Special attention is given to the inclusion of chemical kinetics in the flow field equations. Using his No Transport of Radicals Concept method, the author reduces the computational efforts by neglecting the transport of selected intermediate species. The method is validated by comparison with flame propagation data. A computational method is described and used to simulate spark ignition in laminar premixed methane-air mixtures and the autoignition process of a methane bubble surrounded by hot air. The spark ignition simulation agrees well with experimental results from the literature. The autoignition simulation identifies the importance of diffusive and chemical processes acting together. The ignition delay times exceed the experimental values found in the literature for premixed ignition delay, presumably because of the mixing process and lack of information on low temperature reactions in the skeletal kinetic mechanism. Transient turbulent methane jet autoignition is simulated by means of the KIVA-II code. Turbulent combustion is modelled by the Eddy Dissipation Concept. 90 refs., 81 figs., 3 tabs.

Thermo-Chemical Conversion of Microwave Activated Biomass Mixtures

Science.gov (United States)

Barmina, I.; Kolmickovs, A.; Valdmanis, R.; Vostrikovs, S.; Zake, M.

2018-05-01

Thermo-chemical conversion of microwave activated wheat straw mixtures with wood or peat pellets is studied experimentally with the aim to provide more effective application of wheat straw for heat energy production. Microwave pre-processing of straw pellets is used to provide a partial decomposition of the main constituents of straw and to activate the thermo-chemical conversion of wheat straw mixtures with wood or peat pellets. The experimental study includes complex measurements of the elemental composition of biomass pellets (wheat straw, wood, peat), DTG analysis of their thermal degradation, FTIR analysis of the composition of combustible volatiles entering the combustor, the flame temperature, the heat output of the device and composition of the products by comparing these characteristics for mixtures with unprocessed and mw pre-treated straw pellets. The results of experimental study confirm that mw pre-processing of straw activates the thermal decomposition of mixtures providing enhanced formation of combustible volatiles. This leads to improvement of the combustion conditions in the flame reaction zone, completing thus the combustion of volatiles, increasing the flame temperature, the heat output from the device, the produced heat energy per mass of burned mixture and decreasing at the same time the mass fraction of unburned volatiles in the products.

Radiological and chemical source terms for Solid Waste Operations Complex

International Nuclear Information System (INIS)

Boothe, G.F.

1994-01-01

The purpose of this document is to describe the radiological and chemical source terms for the major projects of the Solid Waste Operations Complex (SWOC), including Project W-112, Project W-133 and Project W-100 (WRAP 2A). For purposes of this document, the term ''source term'' means the design basis inventory. All of the SWOC source terms involve the estimation of the radiological and chemical contents of various waste packages from different waste streams, and the inventories of these packages within facilities or within a scope of operations. The composition of some of the waste is not known precisely; consequently, conservative assumptions were made to ensure that the source term represents a bounding case (i.e., it is expected that the source term would not be exceeded). As better information is obtained on the radiological and chemical contents of waste packages and more accurate facility specific models are developed, this document should be revised as appropriate. Radiological source terms are needed to perform shielding and external dose calculations, to estimate routine airborne releases, to perform release calculations and dose estimates for safety documentation, to calculate the maximum possible fire loss and specific source terms for individual fire areas, etc. Chemical source terms (i.e., inventories of combustible, flammable, explosive or hazardous chemicals) are used to determine combustible loading, fire protection requirements, personnel exposures to hazardous chemicals from routine and accident conditions, and a wide variety of other safety and environmental requirements

WOOD STOVE EMISSIONS: PARTICLE SIZE AND CHEMICAL COMPOSITION

Science.gov (United States)

The report summarizes wood stove particle size and chemical composition data gathered to date. [NOTE: In 1995, EPA estimated that residential wood combustion (RWC), including fireplaces, accounted for a significant fraction of national particulate matter with aerodynamic diameter...

A comprehensive iso-octane combustion model with improved thermochemistry and chemical kinetics

KAUST Repository

Atef, Nour

2017-02-05

Iso-Octane (2,2,4-trimethylpentane) is a primary reference fuel and an important component of gasoline fuels. Moreover, it is a key component used in surrogates to study the ignition and burning characteristics of gasoline fuels. This paper presents an updated chemical kinetic model for iso-octane combustion. Specifically, the thermodynamic data and reaction kinetics of iso-octane have been re-assessed based on new thermodynamic group values and recently evaluated rate coefficients from the literature. The adopted rate coefficients were either experimentally measured or determined by analogy to theoretically calculated values. Furthermore, new alternative isomerization pathways for peroxy-alkyl hydroperoxide (ȮOQOOH) radicals were added to the reaction mechanism. The updated kinetic model was compared against new ignition delay data measured in rapid compression machines (RCM) and a high-pressure shock tube. These experiments were conducted at pressures of 20 and 40 atm, at equivalence ratios of 0.4 and 1.0, and at temperatures in the range of 632–1060 K. The updated model was further compared against shock tube ignition delay times, jet-stirred reactor oxidation speciation data, premixed laminar flame speeds, counterflow diffusion flame ignition, and shock tube pyrolysis speciation data available in the literature. Finally, the updated model was used to investigate the importance of alternative isomerization pathways in the low temperature oxidation of highly branched alkanes. When compared to available models in the literature, the present model represents the current state-of-the-art in fundamental thermochemistry and reaction kinetics of iso-octane; and thus provides the best prediction of wide ranging experimental data and fundamental insights into iso-octane combustion chemistry.

Chemical characterisation of fine particles from biomass burning

Energy Technology Data Exchange (ETDEWEB)

Saarnio, K.

2013-10-15

Biomass burning has lately started to attract attention because there is a need to decrease the carbon dioxide (CO{sub 2}) emissions from the combustion of fossil fuels. Biomass is considered as CO{sub 2} neutral fuel. However, the burning of biomass is one of the major sources of fine particles both at the local and global scale. In addition to the use of biomass as a fuel for heat energy production, biomass burning emissions can be caused, e.g. by slash-and-burn agriculture and wild open-land fires. Indeed, the emissions from biomass burning are crucially important for the assessment of the potential impacts on global climate and local air quality and hence on human health. The chemical composition of fine particles has a notable influence on these impacts. The overall object of this thesis was to gain knowledge on the chemistry of fine particles that originate from biomass burning as well as on the contribution of biomass burning emissions to the ambient fine particle concentrations. For this purpose novel analytical methods were developed and tested in this thesis. Moreover, the thesis is based on ambient aerosol measurements that were carried out in six European countries at 12 measurement sites during 2002-2011. Additionally, wood combustion experiments were conducted in a laboratory. The measurements included a wide range of techniques: filter and impactor samplings, offline chemical analyses (chromatographic and mass spectrometric techniques, thermal-optical method), and online measurements of particles' physical properties and chemical composition (incl. particle number and mass concentrations and size distributions, concentrations of carbonaceous components, water-soluble ions, and tracer compounds). This thesis presents main results of different studies aimed towards chemical characterisation of fine particle emissions from biomass burning. It was found that wood combustion had a significant influence on atmospheric fine particle concentrations in

Development of a Procedure to Apply Detailed Chemical Kinetic Mechanisms to CFD Simulations as Post Processing

DEFF Research Database (Denmark)

Skjøth-Rasmussen, Martin Skov; Glarborg, Peter; Jensen, Anker

2003-01-01

mechanism. It involves post-processing of data extracted from computational fluid dynamics simulations. Application of this approach successfully describes combustion chemistry in a standard swirl burner, the so-called Harwell furnace. Nevertheless, it needs validation against more complex combustion models......It is desired to make detailed chemical kinetic mechanisms applicable to the complex geometries of practical combustion devices simulated with computational fluid dynamics tools. This work presents a novel general approach to combining computational fluid dynamics and a detailed chemical kinetic...

Establishment of Combustion Model for Isooctane HCCI Marine Diesel Engine and Research on the Combustion Characteristic

Directory of Open Access Journals (Sweden)

Li Biao

2016-01-01

Full Text Available The homogeneous charge compression ignition (HCCI combustion mode applied in marine diesel engine is expected to be one of alternative technologies to decrease nitrogen oxide (NOX emission and improve energy utilization rate. Applying the chemical-looping combustion (CLC mechanism inside the cylinder, a numerical study on the HCCI combustion process is performed taking a marine diesel engine as application object. The characteristic feature of combustion process is displayed. On this basis, the formation and emission of NOX are analyzed and discussed. The results indicate that the HCCI combustion mode always exhibit two combustion releasing heats: low-temperature reaction and high-temperature reaction. The combustion phase is divided into low-temperature reaction zone, high-temperature reaction zone and negative temperature coefficient (NTC zone. The operating conditions of the high compression ratio, high intake air temperature, low inlet pressure and small excess air coefficient would cause the high in-cylinder pressure which often leads engine detonation. The low compression ratio, low intake air temperature and big excess air coefficient would cause the low combustor temperature which is conducive to reduce NOX emissions. These technological means and operating conditions are expected to meet the NOX emissions limits in MARPOL73/78 Convention-Annex VI Amendment.

CATALYTIC COMBUSTION OF METHANE OVER Pt/γ-Al2O3 IN MICRO-COMBUSTOR WITH DETAILED CHEMICAL KINETIC MECHANISMS

Directory of Open Access Journals (Sweden)

JUNJIE CHEN

2014-11-01

Full Text Available Micro-scale catalytic combustion characteristics and heat transfer processes of preheated methane-air mixtures (φ = 0.4 in the plane channel were investigated numerically with detailed chemical kinetic mechanisms. The plane channel of length L = 10.0 mm, height H =1.0 mm and wall thickness δ = 0.1 mm, which inner horizontal surfaces contained Pt/γ-Al2O3 catalyst washcoat. The computational results indicate that the presence of the gas phase reactions extends mildly the micro-combustion stability limits at low and moderate inlet velocities due to the strong flames establishment, and have a more profound effect on extending the high-velocity blowout limits by allowing for additional heat release originating mainly from the incomplete CH4 gas phase oxidation in the plane channel. When the same mass flow rate (ρin × Vin is considered, the micro-combustion stability limits at p: 0.1 MPa are much narrower than at p: 0.6 MPa due to both gas phase and catalytic reaction activities decline with decreasing pressure. Catalytic micro-combustor can achieve stable combustion at low solid thermal conductivity ks < 0.1 W∙m-1•K-1, while the micro-combustion extinction limits reach their larger extent for the higher thermal conductivity ks = 20.0-100.0 W∙m-1•K-1. The existence of surface radiation heat transfers significantly effects on the micro-combustion stability limits and micro-combustors energy balance. Finally, gas phase combustion in catalytic micro-combustors can be sustained at the sub-millimeter scale (plane channel height of 0.25 mm.

Effects of the fluid flows on enzymatic chemical oscillations

Science.gov (United States)

Shklyaev, Oleg; Yashin, Victor; Balazs, Anna

2017-11-01

Chemical oscillations are ubiquitous in nature and have a variety of promising applications. Usually, oscillating chemical systems are analyzed within the context of a reaction-diffusion framework. Here, we examine how fluid flows carrying the reactants can be utilized to modulate the negative feedback loops and time delays that promote chemical oscillations. We consider a model where a chemical reaction network involves two species, X and Y, which undergo transformations catalyzed by respective enzymes immobilized at the bottom wall of a fluid-filled microchamber. The reactions with the enzymes provide a negative feedback in the chemically oscillating system. In particular, the first enzyme, localized on the first patch, promotes production of chemical X, while the second enzyme, immobilized on the second patch, promotes production of chemical Y, which inhibits the production of chemical X. The separation distance between the enzyme-coated patches sets the time delay required for the transportation of X and Y. The chemical transport is significantly enhanced if convective fluxes accompany the diffusive ones. Therefore, the parameter region where oscillations are present is modified. The findings provide guidance to designing micro-scale chemical reactors with improved functionalities.

Chemical looping reforming of generator gas

Energy Technology Data Exchange (ETDEWEB)

Mendiara, T.; Jensen, Anker; Glarborg, P.

2010-02-15

The main objective of this work is to investigate the carbon deposition during reforming of hydrocarbons in a Chemical Looping Reformer (CLR). This knowledge is needed to asses the viability of the CLR technology in reforming tar from biomass gasification preserving lighter hydrocarbons and minimizing the carbon formation during the process. Two different setups were used to test the reactivity of the different samples in the conditions of interest for the tar reforming process: 1) Fixed bed flow reactor (FR), and 2) Thermogravimetric analyzer (TGA). In the experiments, the gas atmosphere was switched from reducing to oxidizing atmosphere in every cycle. During the oxidizing cycle, the carrier was regenerated using a mixture of oxygen and nitrogen. Four different oxygen carriers based on nickel (Ni40 and Ni60), manganese (Mn) and ilmenite (Fe) were tested. In the tests, toluene was used to simulate the tars. The Fe and the Mn carrier reacted to a small extent with methane at the highest temperature studied, 800 degrees C. The Ni-carriers did not react at 600 degrees C at first, but they showed some reactivity after having been activated at the higher temperature. Carbon formation occurred with the Ni-carriers, more so with the Ni60 than the Ni40. Ni40, Mn and Fe were activated at the higher temperature. However, Fe showed only low capacity. Ni60 showed no capability of tar reforming. Ni40 showed a high tendency to carbon formation at 800 degrees C, but the formation could be lowered by changing some parameters. Mn formed almost no carbon. Ni40 and Mn were chosen for further studies. Carbon deposition occurred for both Ni40 and Mn, but the amount deposited for Ni40 was about 10 times bigger. Ni40 reacted with the methane and toluene only at 800 degrees C. The conversion over Mn was not as big as for toluene alone. Carbon was formed from carbon monoxide on the Ni40 carrier and on the Mn, but to a much less extent on the latter one. The presence of hydrogen decreased

Chemical Dynamics, Molecular Energetics, and Kinetics at the Synchrotron

International Nuclear Information System (INIS)

Leone, Stephen R.; Ahmed, Musahid; Wilson, Kevin R.

2010-01-01

Scientists at the Chemical Dynamics Beamline of the Advanced Light Source in Berkeley are continuously reinventing synchrotron investigations of physical chemistry and chemical physics with vacuum ultraviolet light. One of the unique aspects of a synchrotron for chemical physics research is the widely tunable vacuum ultraviolet light that permits threshold ionization of large molecules with minimal fragmentation. This provides novel opportunities to assess molecular energetics and reaction mechanisms, even beyond simple gas phase molecules. In this perspective, significant new directions utilizing the capabilities at the Chemical Dynamics Beamline are presented, along with an outlook for future synchrotron and free electron laser science in chemical dynamics. Among the established and emerging fields of investigations are cluster and biological molecule spectroscopy and structure, combustion flame chemistry mechanisms, radical kinetics and product isomer dynamics, aerosol heterogeneous chemistry, planetary and interstellar chemistry, and secondary neutral ion-beam desorption imaging of biological matter and materials chemistry.

The pyrolysis and combustion characteristics of five typical biomass from Tibet

Energy Technology Data Exchange (ETDEWEB)

Dong, C.Q.; Shan, L.; Yang, Y.P.; Zhang, J.J. [Ministry of Education, Beijing (China). Key Laboratory of Condition Monitoring and Control for Power Plant Equipment; North China Electric Power Univ., Beijing (China). Key Laboratory of Security and Clean Energy Technology

2008-07-01

Thermogravimetric (TG) and differential thermal gravimetric (DTG) methods were used to conduct pyrolysis and combustion tests of winter wheat, highland barley, sawdust, cattle manure, and sheep manure from Tibet. The aim of the study was to determine the combustion characteristics of biomass grown in regions with lower levels of atmospheric oxygen. A reaction kinetic model was used to determine kinetic parameters of the biomass samples. The study showed that oxygen concentrations did not influence activation energy. Combustion efficiency was influenced by the nitrogen dilute effect located in Tibet. The sawdust combustion analysis demonstrated that heat losses from flue gases were approximately 5 per cent higher when oxygen levels were 11 per cent, than when oxygen levels were 21 per cent. It was concluded that chemical looping processes can be used to improve efficiency and reduce the environmental impacts associated with biomass combustion in Tibet. 17 refs., 3 tabs., 6 figs.

Combustion physics

Science.gov (United States)

Jones, A. R.

1985-11-01

Over 90% of our energy comes from combustion. By the year 2000 the figure will still be 80%, even allowing for nuclear and alternative energy sources. There are many familiar examples of combustion use, both domestic and industrial. These range from the Bunsen burner to large flares, from small combustion chambers, such as those in car engines, to industrial furnaces for steel manufacture or the generation of megawatts of electricity. There are also fires and explosions. The bountiful energy release from combustion, however, brings its problems, prominent among which are diminishing fuel resources and pollution. Combustion science is directed towards finding ways of improving efficiency and reducing pollution. One may ask, since combustion is a chemical reaction, why physics is involved: the answer is in three parts. First, chemicals cannot react unless they come together. In most flames the fuel and air are initially separate. The chemical reaction in the gas phase is very fast compared with the rate of mixing. Thus, once the fuel and air are mixed the reaction can be considered to occur instantaneously and fluid mechanics limits the rate of burning. Secondly, thermodynamics and heat transfer determine the thermal properties of the combustion products. Heat transfer also plays a role by preheating the reactants and is essential to extracting useful work. Fluid mechanics is relevant if work is to be performed directly, as in a turbine. Finally, physical methods, including electric probes, acoustics, optics, spectroscopy and pyrometry, are used to examine flames. The article is concerned mainly with how physics is used to improve the efficiency of combustion.

[Chemical weapons and chemical terrorism].

Science.gov (United States)

Nakamura, Katsumi

2005-10-01

Chemical Weapons are kind of Weapons of Mass Destruction (WMD). They were used large quantities in WWI. Historically, large quantities usage like WWI was not recorded, but small usage has appeared now and then. Chemical weapons are so called "Nuclear weapon for poor countrys" because it's very easy to produce/possession being possible. They are categorized (1) Nerve Agents, (2) Blister Agents, (3) Cyanide (blood) Agents, (4) Pulmonary Agents, (5) Incapacitating Agents (6) Tear Agents from the viewpoint of human body interaction. In 1997 the Chemical Weapons Convention has taken effect. It prohibits chemical weapons development/production, and Organization for the Prohibition of Chemical Weapons (OPCW) verification regime contributes to the chemical weapons disposal. But possibility of possession/use of weapons of mass destruction by terrorist group represented in one by Matsumoto and Tokyo Subway Sarin Attack, So new chemical terrorism countermeasures are necessary.

Chemical sensors and gas sensors for process control in biotechnology

International Nuclear Information System (INIS)

Williams, D.E.

1988-04-01

This paper is concerned with the possibilities for chemical measurement of the progress of biotechnological processes which are offered by devices already developed for other demanding applications. It considers the potential use of ultrasonic instrumentation originally developed for the nuclear industry, gas measurement methods from the fields of environmental monitoring and combustion control, nuclear instruments developed for the oil, mining and chemical industries, robotic systems and advanced control techniques. (author)

Does the QCD vacuum build up a colour chemical potential dynamically?

International Nuclear Information System (INIS)

Sailer, K.; Greiner, W.

1998-01-01

The one-loop effective theory is found for QCD assuming an overcritical homogeneous gluon vector potential background that corresponds to a non-vanishing colour chemical potential. It is found that the vacuum is unstable against building up a non-vanishing colour chemical potential for sufficiently large number of flavours. (author)

Laser studies of chemical reaction and collision processes

Energy Technology Data Exchange (ETDEWEB)

Flynn, G. [Columbia Univ., New York, NY (United States)

1993-12-01

This work has concentrated on several interrelated projects in the area of laser photochemistry and photophysics which impinge on a variety of questions in combustion chemistry and general chemical kinetics. Infrared diode laser probes of the quenching of molecules with {open_quotes}chemically significant{close_quotes} amounts of energy in which the energy transferred to the quencher has, for the first time, been separated into its vibrational, rotational, and translational components. Probes of quantum state distributions and velocity profiles for atomic fragments produced in photodissociation reactions have been explored for iodine chloride.

Chemical decontamination of Santa Maria de Garona NPP recirculation loops

Energy Technology Data Exchange (ETDEWEB)

Coello, R. [Santa Maria de Garona NPP - NUCLENOR, S.A. (Spain)

2002-07-01

Santa Maria de Garona is a boiling water reactor (BWR-3) with a Primary Containment type Mark 1. Its electrical power is 466 Mw and began its commercial operation in 1971. The plant currently operates in 24 month cycles. The reactor water recirculation system (RWRS) is composed of two independent loops. Each of them has a one stage vertical centrifugal recirculation pump, with a nominal flow of 2020 l/s, and ten jet pumps. It is worthy of mention that in 1986 it was started to inject hydrogen into the feedwater (concentration = 0,3 mg/l) in order to implement the chemical condition known as hydrogen water chemistry (HWC) in the primary circuit. The objective was to create an electrochemical potential below -230 mV in the RWRS which is assumed to be low enough to mitigate the intergranular stress corrosion cracking phenomena (IGSCC) in the sensitized austenitic stainless steels. Later, in 1994, the hydrogen concentration in the feedwater was increased to 0,9 mg/l in order to obtain the protection's ECP in the bottom of the reactor vessel. This feedwater hydrogen concentration has been maintained since then. The nature of the oxides that are formed in the RWRS is strongly affected by the electrochemical conditions (ECP) which have been maintained in this system. It is frequent to find oxides like Fe{sub 2}O{sub 3} (hematite), Fe{sub 3}O{sub 4} (magnetite), NiFe{sub 2}O{sub 4} (trevorite), Cr{sub 2} FeO{sub 4} (chromite), Fe{sub 3-x-y} Cr{sub x} Ni{sub y} O{sub 4} (spinels), etc. However, it is normal to find a combination of all of them in various proportions, depending on the ECP established. Radioactive isotopes of the transition metals ({sup 60}Co, {sup 54}Mn, {sup 51}Cr, {sup 59}Fe, etc.) also participate in these oxides and contribute greatly to increase the dose rate in the circuit. The chemical decontamination processes are designed for the effective dissolution of the metallic oxides present and therefore the type of process to be applied will depend

Chemical cleaning for sludge in steam generator of nuclear power plant

International Nuclear Information System (INIS)

Zhang Mengqin; Lu Yucheng; Zhang Binyong; Yu Jinghua

2002-01-01

The sludge induced corrosion damage to secondary side of tubes of Steam Generator (SG), effect of chemical cleaning technique on maintenance integrity of tubes of SG NPP and use of chemical cleaning technique in SG NPP have been summarized. The engineering technique of chemical cleaning for removing sludge in secondary side of SG NPP has been studied and qualified by CIAE (China Institute of Atomic Energy). Chemical cleaning engineering technique is introduced (main agent is EDTA, temp. <100 degree C), including chemical cleaning technology for tube plate and full tube nest of secondary side of SG, the monitoring technique of chemical cleaning process (effectiveness and safety), the disposal method of wastage of chemical cleaning, the system of chemical cleaning. The method for preventing sludge deposition in secondary side and the research on advanced water chemistry of secondary loop are introduced

Manifold methods for methane combustion

Energy Technology Data Exchange (ETDEWEB)

Yang, B.; Pope, S.B. [Cornell Univ., Ithaca, NY (United States)

1995-10-01

Great progresses have been made in combustion research, especially, the computation of laminar flames and the probability density function (PDF) method in turbulent combustion. For one-dimensional laminar flames, by considering the transport mechanism, the detailed chemical kinetic mechanism and the interactions between these two basic processes, today it is a routine matter to calculate flame velocities, extinction, ignition, temperature, and species distributions from the governing equations. Results are in good agreement with those obtained for experiments. However, for turbulent combustion, because of the complexities of turbulent flow, chemical reactions, and the interaction between them, in the foreseeable future, it is impossible to calculate the combustion flow field by directly integrating the basic governing equations. So averaging and modeling are necessary in turbulent combustion studies. Averaging, on one hand, simplifies turbulent combustion calculations, on the other hand, it introduces the infamous closure problems, especially the closure problem with chemical reaction terms. Since in PDF calculations of turbulent combustion, the averages of the chemical reaction terms can be calculated, PDF methods overcome the closure problem with the reaction terms. It has been shown that the PDF method is a most promising method to calculate turbulent combustion. PDF methods have been successfully employed to calculate laboratory turbulent flames: they can predict phenomena such as super equilibrium radical levels, and local extinction. Because of these advantages, PDF methods are becoming used increasingly in industry combustor codes.

The Use of Chemical-Chemical Interaction and Chemical Structure to Identify New Candidate Chemicals Related to Lung Cancer.

Directory of Open Access Journals (Sweden)

Lei Chen

Full Text Available Lung cancer causes over one million deaths every year worldwide. However, prevention and treatment methods for this serious disease are limited. The identification of new chemicals related to lung cancer may aid in disease prevention and the design of more effective treatments. This study employed a weighted network, constructed using chemical-chemical interaction information, to identify new chemicals related to two types of lung cancer: non-small lung cancer and small-cell lung cancer. Then, a randomization test as well as chemical-chemical interaction and chemical structure information were utilized to make further selections. A final analysis of these new chemicals in the context of the current literature indicates that several chemicals are strongly linked to lung cancer.

QUIL: a chemical equilibrium code

International Nuclear Information System (INIS)

Lunsford, J.L.

1977-02-01

A chemical equilibrium code QUIL is described, along with two support codes FENG and SURF. QUIL is designed to allow calculations on a wide range of chemical environments, which may include surface phases. QUIL was written specifically to calculate distributions associated with complex equilibria involving fission products in the primary coolant loop of the high-temperature gas-cooled reactor. QUIL depends upon an energy-data library called ELIB. This library is maintained by FENG and SURF. FENG enters into the library all reactions having standard free energies of reaction that are independent of concentration. SURF enters all surface reactions into ELIB. All three codes are interactive codes written to be used from a remote terminal, with paging control provided. Plotted output is also available

Chemical digestion of low level nuclear solid waste material

International Nuclear Information System (INIS)

Cooley, C.R.; Lerch, R.E.

1976-01-01

A chemical digestion for treatment of low level combustible nuclear solid waste material is provided and comprises reacting the solid waste material with concentrated sulfuric acid at a temperature within the range of 230 0 --300 0 C and simultaneously and/or thereafter contacting the reacting mixture with concentrated nitric acid or nitrogen dioxide. In a special embodiment spent ion exchange resins are converted by this chemical digestion to noncombustible gases and a low volume noncombustible residue. 6 claims, no drawings

Thermal properties of graphite oxide, thermally reduced graphene and chemically reduced graphene

Science.gov (United States)

Jankovský, Ondřej; Sedmidubský, David; Lojka, Michal; Sofer, Zdeněk

2017-07-01

We compared thermal behavior and other properties of graphite oxide, thermally reduced graphene and chemically reduced graphene. Graphite was oxidized according to the Hofmann method using potassium chlorate as oxidizing agent in strongly acidic environment. In the next step, the formed graphite oxide was chemically or thermally reduced yielding graphene. The mechanism of thermal reduction was studied using STA-MS. Graphite oxide and both thermally and chemically reduced graphenes were analysed by SEM, EDS, elemental combustion analysis, XPS, Raman spectroscopy, XRD and BET. These findings will help for the large scale production of graphene with appropriate chemical composition.

Gas-Phase Molecular Dynamics: Theoretical Studies In Spectroscopy and Chemical Dynamics

Energy Technology Data Exchange (ETDEWEB)

Yu H. G.; Muckerman, J.T.

2012-05-29

The main goal of this program is the development and application of computational methods for studying chemical reaction dynamics and molecular spectroscopy in the gas phase. We are interested in developing rigorous quantum dynamics algorithms for small polyatomic systems and in implementing approximate approaches for complex ones. Particular focus is on the dynamics and kinetics of chemical reactions and on the rovibrational spectra of species involved in combustion processes. This research also explores the potential energy surfaces of these systems of interest using state-of-the-art quantum chemistry methods, and extends them to understand some important properties of materials in condensed phases and interstellar medium as well as in combustion environments.

Instrumentation for chemical and radiochemical monitoring in nuclear power plants

International Nuclear Information System (INIS)

Nordmann, F.; Ballard, G.

2009-01-01

This article details the instrumentation implemented in French nuclear power plants for the monitoring of chemical and radiochemical effluents with the aim of limiting their environmental impact. It describes the controls performed with chemical automata for the search for drifts, anomalies or pollution in a given circuit. The operation principles of the different types of chemical automata are explained as well as the manual controls performed on samples manually collected. Content: 1 - general considerations; 2 - objectives of the chemical monitoring: usefulness of continuous monitoring with automata, transmission to control rooms and related actions, redundancy of automata; 3 - instrumentation and explanations for the main circuits: principle of chemical automata monitoring, instrumentation of the main primary circuit, instrumentation of the main secondary circuit, instrumentation of the tertiary circuit, preparation of water makeup (demineralized water), other loops, instrumentation for effluents and environment monitoring, measurement principles of chemical automata, control and maintenance of chemical automata; 4 - manual controls after sampling; 5 - radiochemical monitoring: automatized radiochemical measurements, manual radiochemical measurements; 6 - conclusion

LCA of Chemicals and Chemical Products

DEFF Research Database (Denmark)

Fantke, Peter; Ernstoff, Alexi

2018-01-01

This chapter focuses on the application of Life Cycle Assessment (LCA) to evaluate the environmental performance of chemicals as well as of products and processes where chemicals play a key role. The life cycle stages of chemical products, such as pharmaceuticals drugs or plant protection products......, are discussed and differentiated into extraction of abiotic and biotic raw materials, chemical synthesis and processing, material processing, product manufacturing, professional or consumer product use, and finally end-of-life . LCA is discussed in relation to other chemicals management frameworks and concepts...... including risk assessment , green and sustainable chemistry , and chemical alternatives assessment. A large number of LCA studies focus on contrasting different feedstocks or chemical synthesis processes, thereby often conducting a cradle to (factory) gate assessment. While typically a large share...

Waste processing of chemical cleaning solutions

International Nuclear Information System (INIS)

Peters, G.A.

1991-01-01

This paper reports on chemical cleaning solutions containing high concentrations of organic chelating wastes that are difficult to reduce in volume using existing technology. Current methods for evaporating low-level radiative waste solutions often use high maintenance evaporators that can be costly and inefficient. The heat transfer surfaces of these evaporators are easily fouled, and their maintenance requires a significant labor investment. To address the volume reduction of spent, low-level radioactive, chelating-based chemical cleaning solutions, ECOSAFE Liquid Volume Reduction System (LVRS) has been developed. The LVRS is based on submerged combustion evaporator technology that was modified for treatment of low-level radiative liquid wastes. This system was developed in 1988 and was used to process 180,000 gallons of waste at Oconee Nuclear Station

Chemical engineering: Measurements for a competitive age

Science.gov (United States)

1986-01-01

The NIST (National Institute of Standards and Technology) activities supporting chemical research, environmental research, combustion and fuel research, and related industries are described in this video. Highlights include private sector involvement in the research and associated and guest scientist programs, the calibration of customers' instruments, and the direct funding for the NIST research projects by outside industries.

Chemical structures and theoretical models of lean premixed ...

African Journals Online (AJOL)

To better understand the chemistry involved in the lean-fuel combustion, the chemical structure of lean premixed propene-oxygen-nitrogen flames stabilized on a flat-flame burner at atmospheric pressure was determined experimentally. The species mole fraction profiles were also computed by the Premix code and three ...

Combustion from basics to applications

CERN Document Server

Lackner, Maximilian; Winter, Franz

2013-01-01

Combustion, the process of burning, is defined as a chemical reaction between a combustible reactant (the fuel) and an oxidizing agent (such as air) in order to produce heat and in most cases light while new chemical species (e.g., flue gas components) are formed. This book covers a gap on the market by providing a concise introduction to combustion. Most of the other books currently available are targeted towards the experienced users and contain too many details and/or contain knowledge at a fairly high level. This book provides a brief and clear overview of the combustion basics, suitable f

Numerical studies of spray combustion processes of palm oil biodiesel and diesel fuels using reduced chemical kinetic mechanisms

KAUST Repository

Kuti, Olawole

2014-04-01

Spray combustion processes of palm oil biodiesel (PO) and conventional diesel fuels were simulated using the CONVERGE CFD code. Thermochemical and reaction kinetic data (115 species and 460 reactions) by Luo et al. (2012) and Lu et al. (2009) (68 species and 283 reactions) were implemented in the CONVERGE CFD to simulate the spray and combustion processes of the two fuels. Tetradecane (C14H30) and n- heptane (C7H 16) were used as surrogates for diesel. For the palm biodiesel, the mixture of methyl decanoate (C11H20O2), methyl-9-decenoate (C11H19O2) and n-heptane was used as surrogate. The palm biodiesel surrogates were combined in proportions based on the previous GC-MS results for the five major biodiesel components namely methyl palmitate, methyl stearate, methyl oleate, methyl linoleate and methyl linolenate. The Favre-Averaged Navier Stokes based simulation using the renormalization group (RNG) k-ε turbulent model was implemented in the numerical calculations of the spray formation processes while the SAGE chemical kinetic solver is used for the detailed kinetic modeling. The SAGE chemical kinetic solver is directly coupled with the gas phase calculations by renormalization group (RNG) k-ε turbulent model using a well-stirred reactor model. Validations of the spray liquid length, ignition delay and flame lift-off length data were performed against previous experimental results. The simulated liquid length, ignition delay and flame lift-off length were validated at an ambient density of 15kg/m3, and injection pressure conditions of 100, 200 and 300 MPa were utilized. The predicted liquid length, ignition delay and flame lift-off length agree with the trends obtained in the experimental data at all injection conditions. Copyright © 2014 SAE International.

Effects of combustion efficiency on a Dual cycle

International Nuclear Information System (INIS)

Ozsoysal, Osman Azmi

2009-01-01

This paper studies a Dual cycle model containing irreversibilities coming exclusively from expansion and compression processes. It is assumed that any fraction of the fuel's chemical energy can not fully released inside the engine because of the incomplete combustion. Utilizing the combustion efficiency is found to be more useful to realize the cycle feasibility. Amount of the released energy from fuel into the cylinder restricts the compression ratio. It is presented how the upper limit of compression ratio is evaluated by means of using some constraints for realizing a Dual cycle. Valid ranges of the constraints given in literature seriously affect the feasibility of cycle. Developed mathematical model leads to a qualitative understanding of how engine loss can be reduced. Thermal efficiency-work curves cannot have a closed loop shape because there is a close relationship between the fuel energy, air-fuel mass ratio, combustion efficiency, maximum cycle temperature and the heat losses into the cylinder wall. If these are all omitted, while heat losses are determined independently without establishing any relationship between the released fuel energy, the thermal efficiency versus work curves will just be able to have a closed loop shape. This is the original perspective and contribution of paper.

Chemical characterisation of zircon-cadmium sulfoselenide ceramic pigments

International Nuclear Information System (INIS)

Gazulla Barreda, M. F.; Rodrigo Edo, M.; Blasco Roca, E.; Orduna Cordero, M.

2013-01-01

The present paper addresses the development of a methodology that allows the complete chemical characterisation of zircon cadmium sulfoselenide ceramic pigments including minor and major elements. To develop the methodology, five zircon-cadmium sulfoselenide pigments with different hues were selected, studying the different measurement process steps, from sample preparation to the optimisation of the measurement of the different components of the pigments by spectroscopic techniques (WD-XRF and elemental analysis by combustion and IR detection). The chemical characterisation method developed was validated with synthetic standards prepared from the mixture of certified reference materials and pure oxides because no certified referenced materials of this type of pigments were commercially available. The developed method can be used for a complete chemical characterization of zircon-cadmium sulfoselenide ceramic pigments with a very low uncertainty for all the elements analysed. (Author)

CloudFlame: Cyberinfrastructure for combustion research

KAUST Repository

Goteng, Gokop

2013-12-01

Combustion experiments and chemical kinetics simulations generate huge data that is computationally and data intensive. A cloud-based cyber infrastructure known as Cloud Flame is implemented to improve the computational efficiency, scalability and availability of data for combustion research. The architecture consists of an application layer, a communication layer and distributed cloud servers running in a mix environment of Windows, Macintosh and Linux systems. The application layer runs software such as CHEMKIN modeling application. The communication layer provides secure transfer/archive of kinetic, thermodynamic, transport and gas surface data using private/public keys between clients and cloud servers. A robust XML schema based on the Process Informatics Model (Prime) combined with a workflow methodology for digitizing, verifying and uploading data from scientific graphs/tables to Prime is implemented for chemical molecular structures of compounds. The outcome of using this system by combustion researchers at King Abdullah University of Science and Technology (KAUST) Clean Combustion Research Center and its collaborating partners indicated a significant improvement in efficiency in terms of speed of chemical kinetics and accuracy in searching for the right chemical kinetic data.

Repurposing Mass-produced Internal Combustion Engines Quantifying the Value and Use of Low-cost Internal Combustion Piston Engines for Modular Applications in Energy and Chemical Engineering Industries

Science.gov (United States)

L'Heureux, Zara E.

This thesis proposes that internal combustion piston engines can help clear the way for a transformation in the energy, chemical, and refining industries that is akin to the transition computer technology experienced with the shift from large mainframes to small personal computers and large farms of individually small, modular processing units. This thesis provides a mathematical foundation, multi-dimensional optimizations, experimental results, an engine model, and a techno-economic assessment, all working towards quantifying the value of repurposing internal combustion piston engines for new applications in modular, small-scale technologies, particularly for energy and chemical engineering systems. Many chemical engineering and power generation industries have focused on increasing individual unit sizes and centralizing production. This "bigger is better" concept makes it difficult to evolve and incorporate change. Large systems are often designed with long lifetimes, incorporate innovation slowly, and necessitate high upfront investment costs. Breaking away from this cycle is essential for promoting change, especially change happening quickly in the energy and chemical engineering industries. The ability to evolve during a system's lifetime provides a competitive advantage in a field dominated by large and often very old equipment that cannot respond to technology change. This thesis specifically highlights the value of small, mass-manufactured internal combustion piston engines retrofitted to participate in non-automotive system designs. The applications are unconventional and stem first from the observation that, when normalized by power output, internal combustion engines are one hundred times less expensive than conventional, large power plants. This cost disparity motivated a look at scaling laws to determine if scaling across both individual unit size and number of units produced would predict the two order of magnitude difference seen here. For the first

Medium scale test study of chemical cleaning technique for secondary side of SG in PWR

International Nuclear Information System (INIS)

Zhang Mengqin; Zhang Shufeng; Yu Jinghua; Hou Shufeng

1997-08-01

The medium scale test study of chemical cleaning technique for removing corrosion product (Fe 3 O 4 ) in secondary side of SG in PWR has been completed. The test has been carried out in a medium scale test loop. The medium scale test evaluated the effect of the chemical cleaning technique (temperature, flow rate, cleaning time, cleaning process), the state of corrosion product deposition on magnetite (Fe 3 O 4 ) solubility and safety of materials of SG in cleaning process. The inhibitor component of chemical cleaning agent has been improved by electrochemical linear polarization method, the effect of inhibitor on corrosion resistance of materials have been examined in the medium scale test loop, the most components of chemical cleaning agent have been obtained, the EDTA is main component in cleaning agent. The electrochemical method for monitor corrosion of materials during cleaning process has been completed in the laboratory. The study of the medium scale test of chemical cleaning technique have had the optimum chemical cleaning technique for remove corrosion product in SG secondary side of PWR. (9 refs., 4 figs., 11 tabs.)

Trace impurities in coal by wet chemical methods

International Nuclear Information System (INIS)

Pollock, E.N.

1975-01-01

In determining trace elements in coal by wet chemical methods, conventional atomic absorption spectroscopy (AAS) was used to determine Li, Be, V, Cr, Mn, Co, Ni, Cu, Zn, Ag, Cd, and Pb after dry ashing and acid dissolutions. A graphite furnace accessory was used for the flameless AAS determination of Bi, Se, Sn, Te, Be, Pb, As, Cd, Cr, Sb, and Ge. Mercury can be determined by flameless AAS after oxygen bomb combustion. Arsenic and antimony can be determined as their hydrides by AAS after low temperature ashing. Germanium, tin, bismuth, and tellurium can be determined as their hydrides by AAS after high temperature ashing. Selenium can be determined as its hydride by AAS after a special combustion procedure or after oxygen bomb combustion. Fluorine can be determined by specific ion analysis after oxygen bomb combustion. Boron can be determined colorimetrically. (U.S.)

Aggressive chemical decontamination tests on small valves from the Garigliano BWR

International Nuclear Information System (INIS)

Bregani, F.

1990-01-01

In order to check the effectiveness of direct chemical decontamination on small and complex components, usually considered for storage without decontamination because of the small amount, some tests were performed on the DECO experimental loop. Four small stainless steel valves from the primary system of the Garigliano BWR were decontaminated using mainly aggressive chemicals such as HC1, HF, HNO 3 and their mixtures. On two valves, before the treatment with aggressive chemicals, a step with soft chemical (oxalic and citric acid mixture) was performed in order to see whether a softening action enhances the following aggressive decontamination. Moreover, in order to increase as much as possible the decontamination effectiveness, a decontamination process using ultrasounds jointly with aggressive chemicals was investigated. After an intensive laboratory testing programme, two smaller stainless steel valves from the primary system of the Garigliano BWR were decontaminated using ultrasounds in aggressive chemical solutions

Computer-Aided Construction of Chemical Kinetic Models

Energy Technology Data Exchange (ETDEWEB)

Green, William H. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

2014-12-31

The combustion chemistry of even simple fuels can be extremely complex, involving hundreds or thousands of kinetically significant species. The most reasonable way to deal with this complexity is to use a computer not only to numerically solve the kinetic model, but also to construct the kinetic model in the first place. Because these large models contain so many numerical parameters (e.g. rate coefficients, thermochemistry) one never has sufficient data to uniquely determine them all experimentally. Instead one must work in “predictive” mode, using theoretical rather than experimental values for many of the numbers in the model, and as appropriate refining the most sensitive numbers through experiments. Predictive chemical kinetics is exactly what is needed for computer-aided design of combustion systems based on proposed alternative fuels, particularly for early assessment of the value and viability of proposed new fuels before those fuels are commercially available. This project was aimed at making accurate predictive chemical kinetics practical; this is a challenging goal which requires a range of science advances. The project spanned a wide range from quantum chemical calculations on individual molecules and elementary-step reactions, through the development of improved rate/thermo calculation procedures, the creation of algorithms and software for constructing and solving kinetic simulations, the invention of methods for model-reduction while maintaining error control, and finally comparisons with experiment. Many of the parameters in the models were derived from quantum chemistry calculations, and the models were compared with experimental data measured in our lab or in collaboration with others.

Coal Direct Chemical Looping Retrofit to Pulverized Coal Power Plants for In-Situ CO2 Capture

Energy Technology Data Exchange (ETDEWEB)

Zeng, Liang; Li, Fanxing; Kim, Ray; Bayham, Samuel; McGiveron, Omar; Tong, Andrew; Connell, Daniel; Luo, Siwei; Sridhar, Deepak; Wang, Fei; Sun, Zhenchao; Fan, Liang-Shih

2013-09-30

A novel Coal Direct Chemical Looping (CDCL) system is proposed to effectively capture CO2 from existing PC power plants. The work during the past three years has led to an oxygen carrier particle with satisfactory performance. Moreover, successful laboratory, bench scale, and integrated demonstrations have been performed. The proposed project further advanced the novel CDCL technology to sub-pilot scale (25 kWth). To be more specific, the following objectives attained in the proposed project are: 1. to further improve the oxygen carrying capacity as well as the sulfur/ash tolerance of the current (working) particle; 2. to demonstrate continuous CDCL operations in an integrated mode with > 99% coal (bituminous, subbituminous, and lignite) conversion as well as the production of high temperature exhaust gas stream that is suitable for steam generation in existing PC boilers; 3. to identify, via demonstrations, the fate of sulfur and NOx; 4. to conduct thorough techno-economic analysis that validates the technical and economical attractiveness of the CDCL system. The objectives outlined above were achieved through collaborative efforts among all the participants. CONSOL Energy Inc. performed the techno-economic analysis of the CDCL process. Shell/CRI was able to perform feasibility and economic studies on the large scale particle synthesis and provide composite particles for the sub-pilot scale testing. The experience of B&W (with boilers) and Air Products (with handling gases) assisted the retrofit system design as well as the demonstration unit operations. The experience gained from the sub-pilot scale demonstration of the Syngas Chemical Looping (SCL) process at OSU was able to ensure the successful handling of the solids. Phase 1 focused on studies to improve the current particle to better suit the CDCL operations. The optimum operating conditions for the reducer reactor such as the temperature, char gasification enhancer type, and flow rate were identified. The

Study of mechanically activated coal combustion

Directory of Open Access Journals (Sweden)

Burdukov Anatolij P.

2009-01-01

Full Text Available Combustion and air gasification of mechanically activated micro-ground coals in the flux have been studied. Influence of mechanically activated methods at coals grinding on their chemical activeness at combustion and gasification has been determined. Intense mechanical activation of coals increases their chemical activeness that enables development of new highly boosted processing methods for coals with various levels of metamorphism.

Numerical analysis of the air chemical non-equilibrium effect in combustion for a semi-sphere with opposing jet

Science.gov (United States)

Zhao, Fa-Ming; Wang, Jiang-Feng; Li, Long-Fei

2018-05-01

The air chemical non-equilibrium effect (ACNEE) on hydrogen-air combustion flow fields at Mach number of 10 is numerically analyzed for a semi-sphere with a sonic opposing-hydrogen jet. The 2D axisymmetric multi-components N-S equations are solved by using the central scheme with artificial dissipation and the S-A turbulence model. Numerical results show that as compared to the result without ACNEE, the ACNEE has little influence on the structure of flow field, but has a considerable impact on fluid characteristics which reduces the maximum value of mass fraction of water in the flow field and increases the maximum value of mass fraction of water on solid surface, as well as the maximum surface temperature.

Chemical characterization and toxicologic evaluation of airborne mixtures: chemical characterization of combusted inventory red and violet smoke mixes

International Nuclear Information System (INIS)

Rubin, I.B.; Buchanan, M.V.; Moneyhun, J.H.

1982-10-01

Red and violet smoke grenades (Grenade, Hand, Smoke, M18) were combusted within canvas tents and the combustion products were sampled and analyzed. Uncombusted red and violet smoke mixes from the same lots used to fill the combusted grenades were also analyzed. Approximately ten percent of the major dye component of the red smoke mix, methylaminoanthraquinone (MAA) was converted to aminoanthraquinones (1-AA and 2-AA). The violet smoke mix was formulated to contain 1,4-diamino-2,3-dihydroanthraquinone (DAA) and MAA. Upon combustion the DAA was converted almost completely to diaminoanthraquinone (DAA) which was a minor constituent of the uncombusted mix. As in the combusted red smoke mix, it was found that MAA was partially converted to aminoanthraquinones

Calculation of Multiphase Chemical Equilibrium by the Modified RAND Method

DEFF Research Database (Denmark)

Tsanas, Christos; Stenby, Erling Halfdan; Yan, Wei

2017-01-01

method. The modified RAND extends the classical RAND method from single-phase chemical reaction equilibrium of ideal systems to multiphase chemical equilibrium of nonideal systems. All components in all phases are treated in the same manner and the system Gibbs energy can be used to monitor convergence....... This is the first time that modified RAND was applied to multiphase chemical equilibrium systems. The combined algorithm was tested using nine examples covering vapor–liquid (VLE) and vapor–liquid–liquid equilibria (VLLE) of ideal and nonideal reaction systems. Successive substitution provided good initial......A robust and efficient algorithm for simultaneous chemical and phase equilibrium calculations is proposed. It combines two individual nonstoichiometric solving procedures: a nested-loop method with successive substitution for the first steps and final convergence with the second-order modified RAND...

CFD analysis of municipal solid waste combustion using detailed chemical kinetic modelling.

Science.gov (United States)

Frank, Alex; Castaldi, Marco J

2014-08-01

Nitrogen oxides (NO x ) emissions from the combustion of municipal solid waste (MSW) in waste-to-energy (WtE) facilities are receiving renewed attention to reduce their output further. While NO x emissions are currently 60% below allowed limits, further reductions will decrease the air pollution control (APC) system burden and reduce consumption of NH3. This work combines the incorporation of the GRI 3.0 mechanism as a detailed chemical kinetic model (DCKM) into a custom three-dimensional (3D) computational fluid dynamics (CFD) model fully to understand the NO x chemistry in the above-bed burnout zones. Specifically, thermal, prompt and fuel NO formation mechanisms were evaluated for the system and a parametric study was utilized to determine the effect of varying fuel nitrogen conversion intermediates between HCN, NH3 and NO directly. Simulation results indicate that the fuel nitrogen mechanism accounts for 92% of the total NO produced in the system with thermal and prompt mechanisms accounting for the remaining 8%. Results also show a 5% variation in final NO concentration between HCN and NH3 inlet conditions, demonstrating that the fuel nitrogen intermediate assumed is not significant. Furthermore, the conversion ratio of fuel nitrogen to NO was 0.33, revealing that the majority of fuel nitrogen forms N2. © The Author(s) 2014.

Indirect Determination of Chemical Composition and Fuel Characteristics of Solid Waste

DEFF Research Database (Denmark)

Riber, Christian; Christensen, Thomas Højlund

Determination of chemical composition of solid waste can be performed directly or indirectly by analysis of combustion products. The indirect methodology instrumented by a full scale incinerator is the only method that can conclude on elements in trace concentrations. These elements are of great...... interest in evaluating waste management options by for example LCA modeling. A methodology description of indirect determination of chemical composition and fuel properties of waste is provided and validated by examples. Indirect analysis of different waste types shows that the chemical composition...... is significantly dependent on waste type. And the analysis concludes that the transfer of substances in the incinerator is a function of waste chemical content, incinerator technology and waste physical properties. The importance of correct representation of rare items in the waste with high concentrations...

Chemical kinetic modeling of H{sub 2} applications

Energy Technology Data Exchange (ETDEWEB)

Marinov, N.M.; Westbrook, C.K.; Cloutman, L.D. [Lawrence Livermore National Lab., CA (United States)] [and others

1995-09-01

Work being carried out at LLNL has concentrated on studies of the role of chemical kinetics in a variety of problems related to hydrogen combustion in practical combustion systems, with an emphasis on vehicle propulsion. Use of hydrogen offers significant advantages over fossil fuels, and computer modeling provides advantages when used in concert with experimental studies. Many numerical {open_quotes}experiments{close_quotes} can be carried out quickly and efficiently, reducing the cost and time of system development, and many new and speculative concepts can be screened to identify those with sufficient promise to pursue experimentally. This project uses chemical kinetic and fluid dynamic computational modeling to examine the combustion characteristics of systems burning hydrogen, either as the only fuel or mixed with natural gas. Oxidation kinetics are combined with pollutant formation kinetics, including formation of oxides of nitrogen but also including air toxics in natural gas combustion. We have refined many of the elementary kinetic reaction steps in the detailed reaction mechanism for hydrogen oxidation. To extend the model to pressures characteristic of internal combustion engines, it was necessary to apply theoretical pressure falloff formalisms for several key steps in the reaction mechanism. We have continued development of simplified reaction mechanisms for hydrogen oxidation, we have implemented those mechanisms into multidimensional computational fluid dynamics models, and we have used models of chemistry and fluid dynamics to address selected application problems. At the present time, we are using computed high pressure flame, and auto-ignition data to further refine the simplified kinetics models that are then to be used in multidimensional fluid mechanics models. Detailed kinetics studies have investigated hydrogen flames and ignition of hydrogen behind shock waves, intended to refine the detailed reactions mechanisms.

Chemical Peels

Science.gov (United States)

... care Kids’ zone Video library Find a dermatologist Chemical peels Overview Chemical peels: Overview Also called chemexfoliation , derma peeling Do ... Overview Chemical peels: FAQs Chemical peels: Preparation FAQs Chemical peels: FAQs To help you decide whether this ...

Hyperchaos and chaotic hierarchy in low-dimensional chemical systems

Science.gov (United States)

Baier, Gerold; Sahle, Sven

1994-06-01

Chemical reaction chains with feedback of one of the products on the source of the chain are considered. A strategy is presented in terms of ordinary differential equations which creates one, two, and three positive Lyapunov exponents as the finite dimension of the system is increased. In particular, a nonlinear inhibition loop in a chemical reaction sequence controls the type of chaos. The bifurcation scenarios are studied and chaos and hyperchaos are found for broad regions of bifurcation parameter. Some implications for the occurrence of higher chaos in real systems are discussed.

Dilute chemical decontamination program review

International Nuclear Information System (INIS)

Anstine, L.D.; Blomgren, J.C.; Pettit, P.J.

1980-01-01

The objective of the Dilute Chemical Decontamination Program is to develop and evaluate a process which utilizes reagents in dilute concentrations for the decontamination of BWR primary systems and for the maintenance of dose rates on the out-of-core surfaces at acceptable levels. A discussion is presented of the process concept, solvent development, advantages and disadvantages of reagent systems, and VNC loop tests. Based on the work completed to date it is concluded that (1) rapid decontamination of BWRs using dilute reagents is feasible; (2) reasonable reagent conditions for rapid chemical decontamination are: 0.01M oxalic acid + 0.005M citric acid, pH3.0, 90/degree/C, 0.5 to 1.0 ppm dissolved oxygen; (3) control of dissolved oxygen concentration is important, since high levels suppress the rate of decontamination and low levels allow precipitation of ferrous oxalate. 4 refs

Developing a predictive model for the chemical composition of soot nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Violi, Angela [Univ. of Michigan, Ann Arbor, MI (United States); Michelsen, Hope [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Hansen, Nils [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Wilson, Kevin [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

2017-04-07

In order to provide the scientific foundation to enable technology breakthroughs in transportation fuel, it is important to develop a combustion modeling capability to optimize the operation and design of evolving fuels in advanced engines for transportation applications. The goal of this proposal is to develop a validated predictive model to describe the chemical composition of soot nanoparticles in premixed and diffusion flames. Atomistic studies in conjunction with state-of-the-art experiments are the distinguishing characteristics of this unique interdisciplinary effort. The modeling effort has been conducted at the University of Michigan by Prof. A. Violi. The experimental work has entailed a series of studies using different techniques to analyze gas-phase soot precursor chemistry and soot particle production in premixed and diffusion flames. Measurements have provided spatial distributions of polycyclic aromatic hydrocarbons and other gas-phase species and size and composition of incipient soot nanoparticles for comparison with model results. The experimental team includes Dr. N. Hansen and H. Michelsen at Sandia National Labs' Combustion Research Facility, and Dr. K. Wilson as collaborator at Lawrence Berkeley National Lab's Advanced Light Source. Our results show that the chemical and physical properties of nanoparticles affect the coagulation behavior in soot formation, and our results on an experimentally validated, predictive model for the chemical composition of soot nanoparticles will not only enhance our understanding of soot formation since but will also allow the prediction of particle size distributions under combustion conditions. These results provide a novel description of soot formation based on physical and chemical properties of the particles for use in the next generation of soot models and an enhanced capability for facilitating the design of alternative fuels and the engines they will power.

Ignition of a lean PRF/air mixture under RCCI/SCCI conditions: Chemical aspects

KAUST Repository

Luong, Minh Bau

2016-10-10

Chemical aspects of the ignition of a primary reference fuel (PRF)/air mixture under reactivity controlled compression ignition (RCCI) and stratified charge compression ignition (SCCI) conditions are investigated by analyzing two-dimensional direct numerical simulation (DNS) data with chemical explosive mode (CEM) analysis. CEMA is adopted to provide fundamental insights into the ignition process by identifying controlling species and elementary reactions at different locations and times. It is found that at the first ignition delay, low-temperature chemistry (LTC) represented by the isomerization of alkylperoxy radical, chain branching reactions of keto-hydroperoxide, and H-atom abstraction of n-heptane is predominant for both RCCI and SCCI combustion. In addition, explosion index and participation index analyses together with conditional means on temperature verify that low-temperature heat release (LTHR) from local mixtures with relatively-high n-heptane concentration occurs more intensively in RCCI combustion than in SCCI combustion, which ultimately advances the overall RCCI combustion and distributes its heat release rate over time. It is also found that at the onset of the main combustion, high-temperature heat release (HTHR) occurs primarily in thin deflagrations where temperature, CO, and OH are found to be the most important species for the combustion. The conversion reaction of CO to CO and hydrogen chemistry are identified as important reactions for HTHR. The overall RCCI/SCCI combustion can be understood by mapping the variation of 2-D RCCI/SCCI combustion in temperature space onto the temporal evolution of 0-D ignition.

EFFECTS OF SIMPLIFIED CHEMICAL KINETIC MODEL ON THE MICRO-FLAME STRUCTURE AND TEMPERATURE OF THE LEAN PREMIXED METHANE-AIR MIXTURES

Directory of Open Access Journals (Sweden)

JUNJIE CHEN

2015-07-01

Full Text Available The effect of simplified chemical kinetic model on the micro-flame structure, central axis and wall temperatures were investigated with different one-step global chemical kinetic mechanisms following Mantel, Duterque and Fernández-Tarrazo models. Numerical investigations of the premixed methane-air flame in the micro-channel and lean conditions were carried out to compare and analyze the effect of the comprehensive chemical kinetic mechanisms. The results indicate that one-step global chemical kinetic mechanism affects both the micro-flame shape and the combustion temperature. Among three simulation models, Mantel model allows a stable micro-flame with a bamboo shoot form, which anchor at the inlet. Duterque model gives a stable elongated micro-flame with a considerable ignition delay, and a dead zone with fluid accumulation is observed at the entrance, which may explain the very high combustion temperature and the fast reaction rate obtained, despite the micro-flame development presents a very hot spot and causes a broadening of the combustion zone. Fernández-Tarrazo model results in a rapid extinction and doesn't seem to take all the kinetic behavior into account for the appropriate micro-combustion simulations.

Extended lattice Boltzmann scheme for droplet combustion.

Science.gov (United States)

Ashna, Mostafa; Rahimian, Mohammad Hassan; Fakhari, Abbas

2017-05-01

The available lattice Boltzmann (LB) models for combustion or phase change are focused on either single-phase flow combustion or two-phase flow with evaporation assuming a constant density for both liquid and gas phases. To pave the way towards simulation of spray combustion, we propose a two-phase LB method for modeling combustion of liquid fuel droplets. We develop an LB scheme to model phase change and combustion by taking into account the density variation in the gas phase and accounting for the chemical reaction based on the Cahn-Hilliard free-energy approach. Evaporation of liquid fuel is modeled by adding a source term, which is due to the divergence of the velocity field being nontrivial, in the continuity equation. The low-Mach-number approximation in the governing Navier-Stokes and energy equations is used to incorporate source terms due to heat release from chemical reactions, density variation, and nonluminous radiative heat loss. Additionally, the conservation equation for chemical species is formulated by including a source term due to chemical reaction. To validate the model, we consider the combustion of n-heptane and n-butanol droplets in stagnant air using overall single-step reactions. The diameter history and flame standoff ratio obtained from the proposed LB method are found to be in good agreement with available numerical and experimental data. The present LB scheme is believed to be a promising approach for modeling spray combustion.

Slow Invariant Manifolds in Chemically Reactive Systems

Science.gov (United States)

Paolucci, Samuel; Powers, Joseph M.

2006-11-01

The scientific design of practical gas phase combustion devices has come to rely on the use of mathematical models which include detailed chemical kinetics. Such models intrinsically admit a wide range of scales which renders their accurate numerical approximation difficult. Over the past decade, rational strategies, such as Intrinsic Low Dimensional Manifolds (ILDM) or Computational Singular Perturbations (CSP), for equilibrating fast time scale events have been successfully developed, though their computation can be challenging and their accuracy in most cases uncertain. Both are approximations to the preferable slow invariant manifold which best describes how the system evolves in the long time limit. Strategies for computing the slow invariant manifold are examined, and results are presented for practical combustion systems.

Comparison of thermal, radical and chemical effects of EGR gases using availability analysis in dual-fuel engines at part loads

International Nuclear Information System (INIS)

Hosseinzadeh, A.; Khoshbakhti Saray, R.; Seyed Mahmoudi, S.M.

2010-01-01

Dual-fuel engines at part load inevitably suffer from lower thermal efficiency and higher emission of carbon monoxide and unburned fuel. A quasi-two-zone combustion model has been developed for studying the second-law analysis of a dual-fuel (diesel-gas) engine operating under part-load conditions. The model is composed of two divisions: a single-zone combustion model with chemical kinetics for combustion of natural gas fuel and a subsidiary zone for combustion of pilot fuel. In the latter zone, the pilot fuel is considered as a heat source derived from two superposed Wiebe's combustion functions to account for contribution of pilot fuel in ignition of gaseous fuel and the rest of the total released energy. This quasi-two-zone combustion model is able to establish the development of combustion process with time and associated important operating parameters, such as pressure, temperature, heat release rate (HRR) and species concentration. The present work is an attempt to investigate the combustion phenomenon from second-law point of view at part load and using exhaust gas recirculation (EGR) to improve the aforementioned problems. Therefore, the availability analysis is applied to the engine from inlet valve closing (IVC) until exhaust valve opening (EVO). Various availability components are identified and calculated separately with crank position. In this paper, the various availability components are identified and calculated separately with crank position. Then the different cases of EGR (chemical, radical and thermal cases) are applied to the availability analysis in dual-fuel engines at part loads. It is found that the chemical case of EGR has negative effect and in this case the unburned chemical availability is increased and the work availability decreases in comparison with baseline engine (without EGR). While the thermal and radical cases have positive effects on the availability terms especially on the unburned chemical availability and work availability

Identification of chemical components of combustion emissions that affect pro-atherosclerotic vascular responses in mice.

Science.gov (United States)

Seilkop, Steven K; Campen, Matthew J; Lund, Amie K; McDonald, Jacob D; Mauderly, Joe L

2012-04-01

Combustion emissions cause pro-atherosclerotic responses in apolipoprotein E-deficient (ApoE/⁻) mice, but the causal components of these complex mixtures are unresolved. In studies previously reported, ApoE⁻/⁻ mice were exposed by inhalation 6 h/day for 50 consecutive days to multiple dilutions of diesel or gasoline exhaust, wood smoke, or simulated "downwind" coal emissions. In this study, the analysis of the combined four-study database using the Multiple Additive Regression Trees (MART) data mining approach to determine putative causal exposure components regardless of combustion source is reported. Over 700 physical-chemical components were grouped into 45 predictor variables. Response variables measured in aorta included endothelin-1, vascular endothelin growth factor, three matrix metalloproteinases (3, 7, 9), metalloproteinase inhibitor 2, heme-oxygenase-1, and thiobarbituric acid reactive substances. Two or three predictors typically explained most of the variation in response among the experimental groups. Overall, sulfur dioxide, ammonia, nitrogen oxides, and carbon monoxide were most highly predictive of responses, although their rankings differed among the responses. Consistent with the earlier finding that filtration of particles had little effect on responses, particulate components ranked third to seventh in predictive importance for the eight response variables. MART proved useful for identifying putative causal components, although the small number of pollution mixtures (4) can provide only suggestive evidence of causality. The potential independent causal contributions of these gases to the vascular responses, as well as possible interactions among them and other components of complex pollutant mixtures, warrant further evaluation.

Steam Generator Chemical Cleaning Application: Korean Experience in PWR NPP

International Nuclear Information System (INIS)

Hwang, In-Ho; Varrin-Jr, Robert-D.; Little, Michael-J.; Oh, Yeon-Ok; Choo, Seong-Jib; Park, Jin-Hyeok

2012-09-01

Korea Hydro and Nuclear Power (KHNP) performed an EPRI/SGOG chemical cleaning of the secondary side of the steam generators at Ulchin Unit 3 (UCN3) in March 2011 and at Ulchin Unit 4 (UCN4) in September 2011. The steam generator chemical cleaning (SGCC) was performed with venting at the top-of-tube sheet (TTS) and at tube support plates (TSPs) 4, 5, 6, 7, 8, 9, and 10. A primary objective of this SGCC was to address outer diameter stress corrosion cracking (ODSCC), which has been observed at the TTS and TSPs in the UCN3 SGs. The EPRI/SGOG process has been shown to effectively reduce prevailing ODSCC rates at the TTS and TSPs, particularly when applied with periodic venting in this application. This was the first full-length SGCC campaign with venting performed in Korea. Ulchin Unit 3 commenced commercial operation in August 1998 and Ulchin Unit 4 commenced commercial operation in December 1999. UCN3 and UCN4 are a two-loop pressurized water reactor (PWR) of the Korea Standard Nuclear Plant (KSNP) design. The SGs contain high-temperature mill annealed (HTMA) Alloy 600 tubing and are similar in design to the Combustion Engineering CE-80. The KSNP SGs have been susceptible to outer diameter stress corrosion cracking (ODSCC), which is consistent with operating experience for other SGs containing Alloy 600HTMA tubing material. The UCN3/4 SGs have recently begun to experience ODSCC. Hankook Jungsoo Industries Co., Ltd (HaJI) was selected as the cleaning vendor by KHNP. To date, HaJI has completed five Advanced Scale Conditioning Agent (ASCA) cleaning applications and two EPRI/SGOG Steam Generator Chemical Cleaning (SGCC) campaigns for KHNP. The goal of total deposit removal of the applications were successfully achieved and the amounts are 3,579 kg at UCN3 and 3,786 kg at UCN4 which values were estimated before each cleaning by analysing ECT signal and liquid samples from the SGs. The deposits from the SGs were primarily composed of magnetite. There were no chemical

Advanced exergoenvironmental analysis of a near-zero emission power plant with chemical looping combustion.

Science.gov (United States)

Petrakopoulou, Fontina; Tsatsaronis, George; Morosuk, Tatiana

2012-03-06

Carbon capture and storage (CCS) from power plants can be used to mitigate CO(2) emissions from the combustion of fossil fuels. However, CCS technologies are energy intensive, decreasing the operating efficiency of a plant and increasing its costs. Recently developed advanced exergy-based analyses can uncover the potential for improvement of complex energy conversion systems, as well as qualify and quantify plant component interactions. In this paper, an advanced exergoenvironmental analysis is used for the first time as means to evaluate an oxy-fuel power plant with CO(2) capture. The environmental impacts of each component are split into avoidable/unavoidable and endogenous/exogenous parts. In an effort to minimize the environmental impact of the plant operation, we focus on the avoidable part of the impact (which is also split into endogenous and exogenous parts) and we seek ways to decrease it. The results of the advanced exergoenvironmental analysis show that the majority of the environmental impact related to the exergy destruction of individual components is unavoidable and endogenous. Thus, the improvement potential is rather limited, and the interactions of the components are of lower importance. The environmental impact of construction of the components is found to be significantly lower than that associated with their operation; therefore, our suggestions for improvement focus on measures concerning the reduction of exergy destruction and pollutant formation.

CHEMICALS

CERN Multimedia

Medical Service

2002-01-01

It is reminded that all persons who use chemicals must inform CERN's Chemistry Service (TIS-GS-GC) and the CERN Medical Service (TIS-ME). Information concerning their toxicity or other hazards as well as the necessary individual and collective protection measures will be provided by these two services. Users must be in possession of a material safety data sheet (MSDS) for each chemical used. These can be obtained by one of several means : the manufacturer of the chemical (legally obliged to supply an MSDS for each chemical delivered) ; CERN's Chemistry Service of the General Safety Group of TIS ; for chemicals and gases available in the CERN Stores the MSDS has been made available via EDH either in pdf format or else via a link to the supplier's web site. Training courses in chemical safety are available for registration via HR-TD. CERN Medical Service : TIS-ME :73186 or service.medical@cern.ch Chemistry Service : TIS-GS-GC : 78546

Economic model predictive control theory, formulations and chemical process applications

CERN Document Server

Ellis, Matthew; Christofides, Panagiotis D

2017-01-01

This book presents general methods for the design of economic model predictive control (EMPC) systems for broad classes of nonlinear systems that address key theoretical and practical considerations including recursive feasibility, closed-loop stability, closed-loop performance, and computational efficiency. Specifically, the book proposes: Lyapunov-based EMPC methods for nonlinear systems; two-tier EMPC architectures that are highly computationally efficient; and EMPC schemes handling explicitly uncertainty, time-varying cost functions, time-delays and multiple-time-scale dynamics. The proposed methods employ a variety of tools ranging from nonlinear systems analysis, through Lyapunov-based control techniques to nonlinear dynamic optimization. The applicability and performance of the proposed methods are demonstrated through a number of chemical process examples. The book presents state-of-the-art methods for the design of economic model predictive control systems for chemical processes. In addition to being...

Combustion

CERN Document Server

Glassman, Irvin

1997-01-01

This Third Edition of Glassman's classic text clearly defines the role of chemistry, physics, and fluid mechanics as applied to the complex topic of combustion. Glassman's insightful introductory text emphasizes underlying physical and chemical principles, and encompasses engine technology, fire safety, materials synthesis, detonation phenomena, hydrocarbon fuel oxidation mechanisms, and environmental considerations. Combustion has been rewritten to integrate the text, figures, and appendixes, detailing available combustion codes, making it not only an excellent introductory text but also an important reference source for professionals in the field. Key Features * Explains complex combustion phenomena with physical insight rather than extensive mathematics * Clarifies postulates in the text using extensive computational results in figures * Lists modern combustion programs indicating usage and availability * Relates combustion concepts to practical applications.

Book of abstracts Chemical Engineering: IV All-Russian Conference on chemical engineering, All-Russian Youth Conference on chemical engineering, All-Russian school on chemical engineering for young scientists and specialists. Chemical engineering of nanomaterials. Energy- and resource-saving chemical-engineering processes and problems of their intensification. Processes and apparatuses of chemical engineering, chemical cybernetics. Ecological problems of chemical engineering and related fields

International Nuclear Information System (INIS)

Zakhodyaeva, Yu.A.; Belova, V.V.

2012-01-01

In the given volume of abstracts of the IV All-Russian Conference on chemical engineering, All-Russian Youth Conference on chemical engineering, All-Russian school on chemical engineering for young scientists and specialists (Moscow, March 18-23, 2012) there are the abstracts of the reports concerning chemical engineering of nanomaterials, energy- and resource-saving chemical-engineering processes, processes and apparatuses of chemical engineering, chemical cybernetics, ecological problems of chemical engineering and related fields. The abstracts deal with state-of-the-art and future development of theoretical and experimental investigations as well as with experience in practical realization of development works in the field of chemical engineering and relative areas [ru

Chemical decontamination process and device therefor

International Nuclear Information System (INIS)

Takahashi, Ryota; Sakai, Hitoshi

1998-01-01

The present invention provides a process and a device for chemical decontamination, which can suppress corrosion of low corrosion resistant materials, keep decontamination properties substantially as same as before and further, reduce the volume of secondary wastes. In a step of reductively melting oxide membranes on an objective material to be decontaminated, a mixture of oxalic acid and a salt thereof is used as a reducing agent, and the reductive melting is conducted while suppressing hydrogen ion concentration of an aqueous liquid system. In order to enhance the reducibility of the oxalic acid ions, it is desirable to add a cyclic hetero compound thereto. The device of the present invention comprises, a decontamination loop including a member to be decontaminated, a heater and a pH meter, a medical injection pump for injecting a reducing agent to the decontamination loop, a metal ion recovering loop including an ion exchange resin tower, a reducing agent decomposing loop including an electrolytic vessel and/or a UV ray irradiation cell, a circulation pump for circulating the decontamination liquid to each of the loops and a plurality of opening/closing valves for switching the loop in which the decontamination liquid is circulated. (T.M.)

Electrochemical energy engineering: a new frontier of chemical engineering innovation.

Science.gov (United States)

Gu, Shuang; Xu, Bingjun; Yan, Yushan

2014-01-01

One of the grand challenges facing humanity today is a safe, clean, and sustainable energy system where combustion no longer dominates. This review proposes that electrochemical energy conversion could set the foundation for such an energy system. It further suggests that a simple switch from an acid to a base membrane coupled with innovative cell designs may lead to a new era of affordable electrochemical devices, including fuel cells, electrolyzers, solar hydrogen generators, and redox flow batteries, for which recent progress is discussed using the authors' work as examples. It also notes that electrochemical energy engineering will likely become a vibrant subdiscipline of chemical engineering and a fertile ground for chemical engineering innovation. To realize this vision, it is necessary to incorporate fundamental electrochemistry and electrochemical engineering principles into the chemical engineering curriculum.

Exergy analysis of the biogas sorption-enhanced chemical looping reforming process integrated with a high-temperature proton exchange membrane fuel cell

International Nuclear Information System (INIS)

Kasemanand, Sarunyou; Im-orb, Karittha; Tippawan, Phanicha; Wiyaratn, Wisitsree; Arpornwichanop, Amornchai

2017-01-01

Highlights: • A biogas reforming and fuel cell integrated process is considered. • Energy and exergy analyses of the integrated process are performed. • Increasing the nickel oxide-to-biogas ratio decreases the exergy efficiency. • The exergy destruction of the fuel cell increases with increasing cell temperature. • The exergy efficiency of the process is improved when heat integration is applied. - Abstract: A biogas sorption-enhanced chemical looping reforming process integrated with a high-temperature proton exchange membrane fuel cell is analyzed. Modeling of such an integrated process is performed by using a flowsheet simulator (Aspen plus). The exergy analysis is performed to evaluate the energy utilization efficiency of each unit and that of the integrated process. The effect of steam and nickel oxide to biogas ratios on the exergetic performance of the stand-alone biogas sorption-enhanced chemical looping reforming process is investigated. The total exergy destruction increases as the steam or nickel oxide to biogas ratio increases. The main exergy destruction is found at the air reactor. For the high-temperature proton exchange membrane fuel cell, the main exergy destruction is found at the cathode. The total exergy destruction increases when cell temperature increases, whereas the inverse effect is found when the current density is considered as a key parameter. Regarding the exergy efficiency, the results show opposite trend to the exergy destruction. The heat integration analysis is performed to improve the exergetic performance. It is found that the integrated process including the heat integration system can improve the exergy destruction and exergy efficiency of 48% and 60%, respectively.

Solar chemical heat pipe

International Nuclear Information System (INIS)

Levy, M.; Levitan, R.; Rosin, H.; Rubin, R.

1991-08-01

The performance of a solar chemical heat pipe was studied using CO 2 reforming of methane as a vehicle for storage and transport of solar energy. The endothermic reforming reaction was carried out in an Inconel reactor, packed with a Rh catalyst. The reactor was suspended in an insulated box receiver which was placed in the focal plane of the Schaeffer Solar Furnace of the Weizman Institute of Science. The exothermic methanation reaction was run in a 6-stage adiabatic reactor filled with the same Rh catalyst. Conversions of over 80% were achieved for both reactions. In the closed loop mode the products from the reformer and from the metanator were compressed into separate storage tanks. The two reactions were run either separately or 'on-line'. The complete process was repeated for over 60 cycles. The overall performance of the closed loop was quite satisfactory and scale-up work is in progress in the Solar Tower. (authors). 35 refs., 2 figs

Flow and Combustion in Advanced Gas Turbine Combustors

CERN Document Server

Janicka, Johannes; Schäfer, Michael; Heeger, Christof

2013-01-01

With regard to both the environmental sustainability and operating efficiency demands, modern combustion research has to face two main objectives, the optimization of combustion efficiency and the reduction of pollutants. This book reports on the combustion research activities carried out within the Collaborative Research Center (SFB) 568 “Flow and Combustion in Future Gas Turbine Combustion Chambers” funded by the German Research Foundation (DFG). This aimed at designing a completely integrated modeling and numerical simulation of the occurring very complex, coupled and interacting physico-chemical processes, such as turbulent heat and mass transport, single or multi-phase flows phenomena, chemical reactions/combustion and radiation, able to support the development of advanced gas turbine chamber concepts.

Chemical Emergencies

Science.gov (United States)

When a hazardous chemical has been released, it may harm people's health. Chemical releases can be unintentional, as in the case of an ... the case of a terrorist attack with a chemical weapon. Some hazardous chemicals have been developed by ...

Process/Engineering Co-Simulation of Oxy-Combustion and Chemical Looping Combustion

Energy Technology Data Exchange (ETDEWEB)

Sloan, David [Alstom Power Inc., Windsor, CT (United States)

2013-03-01

Over the past several years, the DOE has sponsored various funded programs, collectively referred to as Advanced Process Engineering Co-Simulator (APECS) programs, which have targeted the development of a steady-state simulator for advanced power plants. The simulator allows the DOE and its contractors to systematically evaluate various power plant concepts, either for preliminary conceptual design or detailed final design.

Minimum Energy Pathways for Chemical Reactions

Science.gov (United States)

Walch, S. P.; Langhoff, S. R. (Technical Monitor)

1995-01-01

Computed potential energy surfaces are often required for computation of such parameters as rate constants as a function of temperature, product branching ratios, and other detailed properties. We have found that computation of the stationary points/reaction pathways using CASSCF/derivative methods, followed by use of the internally contracted CI method to obtain accurate energetics, gives useful results for a number of chemically important systems. The talk will focus on a number of applications to reactions leading to NOx and soot formation in hydrocarbon combustion.

Theoretical studies of chemical reaction dynamics

Energy Technology Data Exchange (ETDEWEB)

Schatz, G.C. [Argonne National Laboratory, IL (United States)

1993-12-01

This collaborative program with the Theoretical Chemistry Group at Argonne involves theoretical studies of gas phase chemical reactions and related energy transfer and photodissociation processes. Many of the reactions studied are of direct relevance to combustion; others are selected they provide important examples of special dynamical processes, or are of relevance to experimental measurements. Both classical trajectory and quantum reactive scattering methods are used for these studies, and the types of information determined range from thermal rate constants to state to state differential cross sections.

Gas-Phase Molecular Dynamics: Theoretical Studies in Spectroscopy and Chemical Dynamics

Energy Technology Data Exchange (ETDEWEB)

Yu, H.G.; Muckerman, J.T.

2010-06-01

The goal of this program is the development and application of computational methods for studying chemical reaction dynamics and molecular spectroscopy in the gas phase. We are interested in developing rigorous quantum dynamics algorithms for small polyatomic systems and in implementing approximate approaches for complex ones. Particular focus is on the dynamics and kinetics of chemical reactions and on the rovibrational spectra of species involved in combustion processes. This research also explores the potential energy surfaces of these systems of interest using state-of-the-art quantum chemistry methods.

Chemical Kinetics in Support of Syngas Turbine Combustion

Energy Technology Data Exchange (ETDEWEB)

Dryer, Frederick

2007-07-31

This document is the final report on an overall program formulated to extend our prior work in developing and validating kinetic models for the CO/hydrogen/oxygen reaction by carefully analyzing the individual and interactive behavior of specific elementary and subsets of elementary reactions at conditions of interest to syngas combustion in gas turbines. A summary of the tasks performed under this work are: 1. Determine experimentally the third body efficiencies in H+O{sub 2}+M = HO{sub 2}+M (R1) for CO{sub 2} and H{sub 2}O. 2. Using published literature data and the results in this program, further develop the present H{sub 2}/O{sub 2}/diluent and CO/H{sub 2}/O{sub 2}/diluent mechanisms for dilution with CO{sub 2}, H{sub 2}O and N{sub 2} through comparisons with new experimental validation targets for H{sub 2}-CO-O{sub 2}-N{sub 2} reaction kinetics in the presence of significant diluent fractions of CO{sub 2} and/or H{sub 2}O, at high pressures. (task amplified to especially address ignition delay issues, see below). 3. Analyze and demonstrate issues related to NOx interactions with syngas combustion chemistry (task amplified to include interactions of iron pentacarbonyl with syngas combustion chemistry, see below). 4. Publish results, including updated syngas kinetic model. Results are summarized in this document and its appendices. Three archival papers which contain a majority of the research results have appeared. Those results not published elsewhere are highlighted here, and will appear as part of future publications. Portions of the work appearing in the above publications were also supported in part by the Department of Energy under Grant No. DE-FG02-86ER-13503. As a result of and during the research under the present contract, we became aware of other reported results that revealed substantial differences between experimental characterizations of ignition delays for syngas mixtures and ignition delay predictions based upon homogenous kinetic modeling. We

Dosage of fission products in irradiated fuel treatment effluents (radio-chemical method); Dosage des produits de fission dans les effluents du traitement des combustibles irradies (methode radiochimique)

Energy Technology Data Exchange (ETDEWEB)

Auchapt, J [Commissariat a l' Energie Atomique, Marcoule (France). Centre d' Etudes Nucleaires

1966-07-01

The dosage methods presented here are applicable to relatively long-lived fission products present in the effluents resulting from irradiated fuel treatment processes (Sr - Cs - Ce - Zr - Nb - Ru - I). The methods are based on the same principle: - addition of a carrying-over agent - chemical separation over several purification stages, - determination of the chemical yield by calorimetry - counting of an aliquot liquid portion. (author) [French] Les methodes de dosage presentees concernent les produits de fission a vie relativement longue presents dans les effluents de traitement des combustibles irradies (Sr - Cs - Ce - Zr - Nb - Ru - I). Elles sont toutes basees sur le meme principe: - addition d'entraineur, - separation chimique en plusieurs stades de purification, - determination du rendement chimique par calorimetrie, - comptage d'une aliquote liquide. (auteur)

Production of chemical energy carriers by non-expendable energy sources

Energy Technology Data Exchange (ETDEWEB)

Nitsch, J

1976-01-01

The different forms of energy (radiation, high-temperature heat and electricity) arising from non-expendable energy sources like solar energy can be used for the production of chemical energy-carriers. Possible methods are the splitting of water by means of photolysis, thermochemical cycles and electrolysis, as well as the storage of energy in closed loop chemical systems. These methods are described and efficiencies and costs of the production of these energy carriers are specified. Special problems of the long-distance transportation of hydrogen produced by solar energy are described and the resulting costs are estimated.

An integrated multi-label classifier with chemical-chemical interactions for prediction of chemical toxicity effects.

Science.gov (United States)

Liu, Tao; Chen, Lei; Pan, Xiaoyong

2018-05-31

Chemical toxicity effect is one of the major reasons for declining candidate drugs. Detecting the toxicity effects of all chemicals can accelerate the procedures of drug discovery. However, it is time-consuming and expensive to identify the toxicity effects of a given chemical through traditional experiments. Designing quick, reliable and non-animal-involved computational methods is an alternative way. In this study, a novel integrated multi-label classifier was proposed. First, based on five types of chemical-chemical interactions retrieved from STITCH, each of which is derived from one aspect of chemicals, five individual classifiers were built. Then, several integrated classifiers were built by integrating some or all individual classifiers. By testing the integrated classifiers on a dataset with chemicals and their toxicity effects in Accelrys Toxicity database and non-toxic chemicals with their performance evaluated by jackknife test, an optimal integrated classifier was selected as the proposed classifier, which provided quite high prediction accuracies and wide applications. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Preparation and Characterization of Chemical Plugs Based on Selected Hanford Waste Simulants

International Nuclear Information System (INIS)

Mattigod, Shas V.; Wellman, Dawn M.; Parker, Kent E.; Cordova, Elsa A.; Gunderson, Katie M.; Baum, Steven R.; Crum, Jarrod V.; Poloski, Adam P.

2008-01-01

This report presents the results of preparation and characterization of chemical plugs based on selected Hanford Site waste simulants. Included are the results of chemical plug bench testing conducted in support of the M1/M6 Flow Loop Chemical Plugging/Unplugging Test (TP-RPP-WTP-495 Rev A). These results support the proposed plug simulants for the chemical plugging/ unplugging tests. Based on the available simulant data, a set of simulants was identified that would likely result in chemical plugs. The three types of chemical plugs that were generated and tested in this task consisted of: 1. Aluminum hydroxide (NAH), 2. Sodium aluminosilicate (NAS), and 3. Sodium aluminum phosphate (NAP). While both solvents, namely 2 molar (2 M) nitric acid (HNO3) and 2 M sodium hydroxide (NaOH) at 60 C, used in these tests were effective in dissolving the chemical plugs, the 2 M nitric acid was significantly more effective in dissolving the NAH and NAS plugs. The caustic was only slightly more effecting at dissolving the NAP plug. In the bench-scale dissolution tests, hot (60 C) 2 M nitric acid was the most effective solvent in that it completely dissolved both NAH and NAS chemical plugs much faster (1.5 - 2 x) than 2 M sodium hydroxide. So unless there are operational benefits for the use of caustic verses nitric acid, 2 M nitric acid heated to 60 C should be the solvent of choice for dissolving these chemical plugs. Flow-loop testing was planned to identify a combination of parameters such as pressure, flush solution, composition, and temperature that would effectively dissolve and flush each type of chemical plug from preformed chemical plugs in 3-inch-diameter and 4-feet-long pipe sections. However, based on a review of the results of the bench-top tests and technical discussions, the Waste Treatment Plant (WTP) Research and Technology (R and T), Engineering and Mechanical Systems (EMS), and Operations concluded that flow-loop testing of the chemically plugged pipe sections

Properties of Chemically Combusted Calcium Carbide Residue and Its Influence on Cement Properties.

Science.gov (United States)

Sun, Hongfang; Li, Zishanshan; Bai, Jing; Memon, Shazim Ali; Dong, Biqin; Fang, Yuan; Xu, Weiting; Xing, Feng

2015-02-13

Calcium carbide residue (CCR) is a waste by-product from acetylene gas production. The main component of CCR is Ca(OH)₂, which can react with siliceous materials through pozzolanic reactions, resulting in a product similar to those obtained from the cement hydration process. Thus, it is possible to use CCR as a substitute for Portland cement in concrete. In this research, we synthesized CCR and silica fume through a chemical combustion technique to produce a new reactive cementitious powder (RCP). The properties of paste and mortar in fresh and hardened states (setting time, shrinkage, and compressive strength) with 5% cement replacement by RCP were evaluated. The hydration of RCP and OPC (Ordinary Portland Cement) pastes was also examined through SEM (scanning electron microscope). Test results showed that in comparison to control OPC mix, the hydration products for the RCP mix took longer to formulate. The initial and final setting times were prolonged, while the drying shrinkage was significantly reduced. The compressive strength at the age of 45 days for RCP mortar mix was found to be higher than that of OPC mortar and OPC mortar with silica fume mix by 10% and 8%, respectively. Therefore, the synthesized RCP was proved to be a sustainable active cementitious powder for the strength enhanced of building materials, which will result in the diversion of significant quantities of this by-product from landfills.

Chemical profiling of chemical warfare agents for forensic purposes

NARCIS (Netherlands)

Noort, D.; Reuver, L.P.J. de; Fidder, A.; Tromp, M.; Verschraagen, M.

2010-01-01

A program has been initiated towards the chemical profiling of chemical warfare agents, in order to support forensic investigations towards synthesis routes, production sites and suspect chemical suppliers. Within the first stage of the project various chemical warfare agents (VX, sulfur mustard,

Identification of Chemical Toxicity Using Ontology Information of Chemicals

Directory of Open Access Journals (Sweden)

Zhanpeng Jiang

2015-01-01

Full Text Available With the advance of the combinatorial chemistry, a large number of synthetic compounds have surged. However, we have limited knowledge about them. On the other hand, the speed of designing new drugs is very slow. One of the key causes is the unacceptable toxicities of chemicals. If one can correctly identify the toxicity of chemicals, the unsuitable chemicals can be discarded in early stage, thereby accelerating the study of new drugs and reducing the R&D costs. In this study, a new prediction method was built for identification of chemical toxicities, which was based on ontology information of chemicals. By comparing to a previous method, our method is quite effective. We hope that the proposed method may give new insights to study chemical toxicity and other attributes of chemicals.

Corrosion monitoring during a chemical cleaning

International Nuclear Information System (INIS)

Delepine, J.; Feron, D.; Roy, M.

1994-01-01

In order to estimate the possible corrosion induced by the chemical cleaning, a corrosion monitoring has been realized during the cleaning of the secondary circuit (including the model boiler) of ORION loop. It included coupons and electrodes and has required a preliminary setting in laboratory. The electrochemical device which was used during the chemical cleaning included two reference electrodes (Ag/AgCl) and eight metallic electrodes (carbon steel, stainless steel, Alloy 600 and Alloy 690) for free corrosion potential monitoring, three other carbon steel electrodes for instantaneous corrosion rate measurements by polarization resistance and three coupling devices with different surface ratios between carbon steel and Alloy 600. The results showed a good agreement between corrosion rates measured by weight losses on coupons or by electrochemistry (polarization resistance), and an increase of the carbon steel corrosion rate when it was coupled with Alloy 600. (authors). 5 figs., 2 tabs., 3 refs

Designing learning curves for carbon capture based on chemical absorption according to the minimum work of separation

International Nuclear Information System (INIS)

Rochedo, Pedro R.R.; Szklo, Alexandre

2013-01-01

Highlights: • This work defines the minimum work of separation (MWS) for a capture process. • Findings of the analysis indicated a MWS of 0.158 GJ/t for post-combustion. • A review of commercially available processes based on chemical absorption was made. • A review of learning models was conducted, with the addition on a novel model. • A learning curve for post-combustion carbon capture was successfully designed. - Abstract: Carbon capture is one of the most important alternatives for mitigating greenhouse gas emissions in energy facilities. The post-combustion route based on chemical absorption with amine solvents is the most feasible alternative for the short term. However, this route implies in huge energy penalties, mainly related to the solvent regeneration. By defining the minimum work of separation (MWS), this study estimated the minimum energy required to capture the CO 2 emitted by coal-fired thermal power plants. Then, by evaluating solvents and processes and comparing it to the MWS, it proposes the learning model with the best fit for the post-combustion chemical absorption of CO 2 . Learning models are based on earnings from experience, which can include the intensity of research and development. In this study, three models are tested: Wright, DeJong and D and L. Findings of the thermochemical analysis indicated a MWS of 0.158 GJ/t for post-combustion. Conventional solvents currently present an energy penalty eight times the MWS. By using the MWS as a constraint, this study found that the D and L provided the best fit to the available data of chemical solvents and absorption plants. The learning rate determined through this model is very similar to the ones found in the literature

Thermal/chemical degradation of ceramic cross-flow filter materials

Energy Technology Data Exchange (ETDEWEB)

Alvin, M.A.; Lane, J.E.; Lippert, T.E.

1989-11-01

This report summarizes the 14-month, Phase 1 effort conducted by Westinghouse on the Thermal/Chemical Degradation of Ceramic Cross-Flow Filter Materials program. In Phase 1 expected filter process conditions were identified for a fixed-bed, fluid-bed, and entrained-bed gasification, direct coal fired turbine, and pressurized fluidized-bed combustion system. Ceramic cross-flow filter materials were also selected, procured, and subjected to chemical and physical characterization. The stability of each of the ceramic cross-flow materials was assessed in terms of potential reactions or phase change as a result of process temperature, and effluent gas compositions containing alkali and fines. In addition chemical and physical characterization was conducted on cross-flow filters that were exposed to the METC fluid-bed gasifier and the New York University pressurized fluidized-bed combustor. Long-term high temperature degradation mechanisms were proposed for each ceramic cross-flow material at process operating conditions. An experimental bench-scale test program is recommended to be conducted in Phase 2, generating data that support the proposed cross-flow filter material thermal/chemical degradation mechanisms. Papers on the individual subtasks have been processed separately for inclusion on the data base.

From Chemical Forces to Chemical Rates: A Historical/Philosophical Foundation for the Teaching of Chemical Equilibrium

Science.gov (United States)

Quilez, Juan

2009-01-01

With this paper, our main aim is to contribute to the realisation of the chemical reactivity concept, tracing the historical evolution of the concept of chemical affinity that eventually supported the concept of chemical equilibrium. We will concentrate on searching for the theoretical grounds of three key chemical equilibrium ideas: "incomplete…

Data on the chemical properties of commercial fish sauce products.

Science.gov (United States)

Nakano, Mitsutoshi; Sagane, Yoshimasa; Koizumi, Ryosuke; Nakazawa, Yozo; Yamazaki, Masao; Watanabe, Toshihiro; Takano, Katsumi; Sato, Hiroaki

2017-12-01

This data article reports on the chemical properties of commercial fish sauce products associated with the fish sauce taste and flavor. All products were analyzed in triplicate. Dried solid content was analyzed by moisture analyzer. Fish sauce salinity was determined by a salt meter. pH was measured using a pH meter. The acidity was determined using a titration assay. Amino nitrogen and total nitrogen were evaluated using a titration assay and Combustion-type nitrogen analyzer, respectively. The analyzed products originated from Japan, Thailand, Vietnam, China, the Philippines, and Italy. Data on the chemical properties of the products are provided in table format in the current article.

Household Chemical Emergencies

Science.gov (United States)

... Content Home Be Informed Household Chemical Emergencies Household Chemical Emergencies Although the risk of a chemical accident ... reduce the risk of injury. Before a Household Chemical Emergency It is critical to store household chemicals ...

Combustion

CERN Document Server

Glassman, Irvin

2008-01-01

Combustion Engineering, a topic generally taught at the upper undergraduate and graduate level in most mechanical engineering programs, and many chemical engineering programs, is the study of rapid energy and mass transfer usually through the common physical phenomena of flame oxidation. It covers the physics and chemistry of this process and the engineering applications-from the generation of power such as the internal combustion automobile engine to the gas turbine engine. Renewed concerns about energy efficiency and fuel costs, along with continued concerns over toxic and particulate emissions have kept the interest in this vital area of engineering high and brought about new developments in both fundamental knowledge of flame and combustion physics as well as new technologies for flame and fuel control. *New chapter on new combustion concepts and technologies, including discussion on nanotechnology as related to combustion, as well as microgravity combustion, microcombustion, and catalytic combustion-all ...

Shear Viscosity of Hot QED at Finite Chemical Potential from Kubo Formula

International Nuclear Information System (INIS)

Liu Hui; Hou Defu; Li Jiarong

2008-01-01

Within the framework of finite temperature feld theory this paper discusses the shear viscosity of hot QED plasma through Kubo formula at one-loop skeleton diagram level with a finite chemical potential. The effective widths (damping rates) are introduced to regulate the pinch singularities and then gives a reliable estimation of the shear viscous coefficient. The finite chemical potential contributes positively compared to the pure temperature case. The result agrees with that from the kinetics theory qualitatively

Analysis and classification of physical and chemical methods of fuel activation

Directory of Open Access Journals (Sweden)

Fedorchak Viktoriya

2015-12-01

Full Text Available The offered article explores various research studies, developed patents in terms of physical and chemical approaches to the activation of fuel. In this regard, national and foreign researches in the field of fuels activators with different principles of action were analysed, evaluating their pros and cons. The article also intends to classify these methods and compare them regarding diverse desired results and types of fuels used. In terms of physical and chemical influences on fuels and the necessity of making constructive changes in the fuel system of internal combustion engines, an optimal approach was outlined.

chemical safety and chemical security overview

African Journals Online (AJOL)

IICBA01

Wafaa M. Abdou. Chemical Industries Division, National Research Centre, ... substances to attain an acceptably low risk of exposure. Security is: ... Sharing locations of chemicals can publicize targets for theft .... D. Personal Protective Equipments (PPE): ... E. Lighting & Noise Levels ... PPE. ➢ Autoclave or sterilize wastes.

Runaway chemical reaction exposes community to highly toxic chemicals

International Nuclear Information System (INIS)

Kaszniak, Mark; Vorderbrueggen, John

2008-01-01

The U.S. Chemical Safety and Hazard Investigation Board (CSB) conducted a comprehensive investigation of a runaway chemical reaction at MFG Chemical (MFG) in Dalton, Georgia on April 12, 2004 that resulted in the uncontrolled release of a large quantity of highly toxic and flammable allyl alcohol and allyl chloride into the community. Five people were hospitalized and 154 people required decontamination and treatment for exposure to the chemicals. This included police officers attempting to evacuate the community and ambulance personnel who responded to 911 calls from residents exposed to the chemicals. This paper presents the findings of the CSB report (U.S. Chemical Safety and Hazard Investigation Board (CSB), Investigation Report: Toxic Chemical Vapor Cloud Release, Report No. 2004-09-I-GA, Washington DC, April 2006) including a discussion on tolling practices; scale-up of batch reaction processes; Process Safety Management (PSM) and Risk Management Plan (RMP) implementation; emergency planning by the company, county and the city; and emergency response and mitigation actions taken during the incident. The reactive chemical testing and atmospheric dispersion modeling conducted by CSB after the incident and recommendations adopted by the Board are also discussed

Chemical Function Predictions for Tox21 Chemicals

Data.gov (United States)

U.S. Environmental Protection Agency — Random forest chemical function predictions for Tox21 chemicals in personal care products uses and "other" uses. This dataset is associated with the following...

Studies in combustion dynamics

Energy Technology Data Exchange (ETDEWEB)

Koszykowski, M.L. [Sandia National Laboratories, Livermore, CA (United States)

1993-12-01

The goal of this program is to develop a fundamental understanding and a quantitative predictive capability in combustion modeling. A large part of the understanding of the chemistry of combustion processes comes from {open_quotes}chemical kinetic modeling.{close_quotes} However, successful modeling is not an isolated activity. It necessarily involves the integration of methods and results from several diverse disciplines and activities including theoretical chemistry, elementary reaction kinetics, fluid mechanics and computational science. Recently the authors have developed and utilized new tools for parallel processing to implement the first numerical model of a turbulent diffusion flame including a {open_quotes}full{close_quotes} chemical mechanism.

A Chemical Activity Approach to Exposure and Risk Assessment of Chemicals

DEFF Research Database (Denmark)

Gobas, Frank A. P. C.; Mayer, Philipp; Parkerton, Thomas F.

2018-01-01

activity approach, its strengths and limitations, and provides examples of how this concept may be applied to the management of single chemicals and chemical mixtures. The examples demonstrate that the chemical activity approach provides a useful framework for 1) compiling and evaluating exposure......To support the goals articulated in the vision for exposure and risk assessment in the twenty-first century, we highlight the application of a thermodynamic chemical activity approach for the exposure and risk assessment of chemicals in the environment. The present article describes the chemical...... assessment. The article further illustrates that the chemical activity approach can support an adaptive management strategy for environmental stewardship of chemicals where “safe” chemical activities are established based on toxicological studies and presented as guidelines for environmental quality...

Properties of Chemically Combusted Calcium Carbide Residue and Its Influence on Cement Properties

Directory of Open Access Journals (Sweden)

Hongfang Sun

2015-02-01

Full Text Available Calcium carbide residue (CCR is a waste by-product from acetylene gas production. The main component of CCR is Ca(OH2, which can react with siliceous materials through pozzolanic reactions, resulting in a product similar to those obtained from the cement hydration process. Thus, it is possible to use CCR as a substitute for Portland cement in concrete. In this research, we synthesized CCR and silica fume through a chemical combustion technique to produce a new reactive cementitious powder (RCP. The properties of paste and mortar in fresh and hardened states (setting time, shrinkage, and compressive strength with 5% cement replacement by RCP were evaluated. The hydration of RCP and OPC (Ordinary Portland Cement pastes was also examined through SEM (scanning electron microscope. Test results showed that in comparison to control OPC mix, the hydration products for the RCP mix took longer to formulate. The initial and final setting times were prolonged, while the drying shrinkage was significantly reduced. The compressive strength at the age of 45 days for RCP mortar mix was found to be higher than that of OPC mortar and OPC mortar with silica fume mix by 10% and 8%, respectively. Therefore, the synthesized RCP was proved to be a sustainable active cementitious powder for the strength enhanced of building materials, which will result in the diversion of significant quantities of this by-product from landfills.

Physical, chemical and mineralogical properties of fly ash

International Nuclear Information System (INIS)

Khairul Nizar Ismail; Kamaruddin Hussin; Mohd Sobri Idris

2007-01-01

Fly ash is the finely divided mineral residue resulting from the combustion of coal in electric generating plants. Fly ash consists of inorganic, incombustible matter present in the coal that has been fused during combustion into a glassy, amorphous structure. Fly ash particles are generally spherical in shape and range in size from 2 μm to 10 μm. They consist mostly of silicon dioxide (SiO 2 ), aluminium oxide (Al 2 O 3 ) and iron oxide (Fe 2 O 3 ). Fly ash like soil contains trace concentrations of the following heavy metals: nickel, vanadium, cadmium, barium, chromium, copper, molybdenum, zinc and lead. The chemical compositions of the sample have been examined and the fly ash are of ASTM C618 Class F. (Author)

Integrative Chemical-Biological Read-Across Approach for Chemical Hazard Classification

Science.gov (United States)

Low, Yen; Sedykh, Alexander; Fourches, Denis; Golbraikh, Alexander; Whelan, Maurice; Rusyn, Ivan; Tropsha, Alexander

2013-01-01

Traditional read-across approaches typically rely on the chemical similarity principle to predict chemical toxicity; however, the accuracy of such predictions is often inadequate due to the underlying complex mechanisms of toxicity. Here we report on the development of a hazard classification and visualization method that draws upon both chemical structural similarity and comparisons of biological responses to chemicals measured in multiple short-term assays (”biological” similarity). The Chemical-Biological Read-Across (CBRA) approach infers each compound's toxicity from those of both chemical and biological analogs whose similarities are determined by the Tanimoto coefficient. Classification accuracy of CBRA was compared to that of classical RA and other methods using chemical descriptors alone, or in combination with biological data. Different types of adverse effects (hepatotoxicity, hepatocarcinogenicity, mutagenicity, and acute lethality) were classified using several biological data types (gene expression profiling and cytotoxicity screening). CBRA-based hazard classification exhibited consistently high external classification accuracy and applicability to diverse chemicals. Transparency of the CBRA approach is aided by the use of radial plots that show the relative contribution of analogous chemical and biological neighbors. Identification of both chemical and biological features that give rise to the high accuracy of CBRA-based toxicity prediction facilitates mechanistic interpretation of the models. PMID:23848138

Chemical structures of an n-butanol counterflow flame

Energy Technology Data Exchange (ETDEWEB)

Sarathy, S.M.; Thomson, M.J. [Toronto Univ., ON (Canada). Dept. of Mechanical and Industrial Engineering

2007-07-01

N-butanol, also known as biobutanol, is an attractive alternative biofuel that can replace gasoline in transportation applications. Biobutanol can be produced via the fermentation of sugars, starches, and lignocellulose obtained from agricultural feedstocks. Although biobutanol offers several advantages over ethanol, its detailed combustion characteristics are not well known. In order to determine the effect of fuel structure on combustion products, this paper presented the results of a study that examined the emission and temperature profiles of an n-butanol counterflow flame. The paper presented the experimental data and discussed the potential reaction mechanisms that rationalized the observed species profiles. It was found that significant quantities of acetylene, acetaldehyde, ethane, and propene were measured in the n-butanol flame and that the reaction pathways leading to the formation of these compounds were yet to be identified. In addition, significant concentrations of formaldehyde and acetaldehyde were found. Results will be utilized to validate a detailed chemical kinetic model for n-butanol combustion. 13 refs., 3 figs.

Chemical ecotoxicology

International Nuclear Information System (INIS)

Paasivirta, J.

1991-01-01

This book discusses risk assessment, chemical cycles, structure-activity relations, organohalogens, oil residues, mercury, sampling and analysis of trace chemicals, and emissions from the forestry industry. Topics include: Cycles of chemicals in the environment. Rick assessment and management, strucuture and toxicity, sampling and analysis of trace chemicals in environment, interpretation of the environmental analysis results, mercury in the environment, organohalogen compounds in the environment, emissions from forestry industry, oil residues in the environment: oil spills in the marine environment

Chemical composition of Chinese palm fruit and chemical properties ...

African Journals Online (AJOL)

... chemical properties and could be used as edible oils and for industrial applications. ... on it, which can provide useful information for Chinese oil palm industry. Key words: Chemical composition, palm fruit, palm oil, palm kernel oil, chemical ...

Dual simulation of the massless lattice Schwinger model with topological term and non-zero chemical potential

Science.gov (United States)

Göschl, Daniel

2018-03-01

We discuss simulation strategies for the massless lattice Schwinger model with a topological term and finite chemical potential. The simulation is done in a dual representation where the complex action problem is solved and the partition function is a sum over fermion loops, fermion dimers and plaquette-occupation numbers. We explore strategies to update the fermion loops coupled to the gauge degrees of freedom and check our results with conventional simulations (without topological term and at zero chemical potential), as well as with exact summation on small volumes. Some physical implications of the results are discussed.

Chemical characterisation of PM10 emissions from combustion in a closed stove of common woods grown in Portugal

Science.gov (United States)

Gonçalves, C.; Alves, C.; Pio, C.; Rzaca, M.; Schmidl, C.; Puxbaum, H.

2009-04-01

A series of source tests were conducted to determine the wood elemental composition, combustion gases and the chemical constitution of PM10 emissions from the closed stove combustion of four species of woods grown in Portugal: Eucalyptus globulos, Pinus pinaster, Quercus suber and Acacia longifolia. The burning tests were made in a closed stove with a dilution source sampler. To ascertain the combustion phase and conditions, continuous emission monitors measured O2, CO2, CO, NO, hydrocarbons, temperature and pressure, during each burning cycle. Woodsmoke samples have been collected and analysed to estimate the contribution of plant debris and biomass smoke to atmospheric aerosols. At this stage of work, cellulose, anhydrosugars and humic-like substances (HULIS) have been measured. Cellulose was determined photometrically after its conversion to D-Glucose. The determination of levoglucosan and other anhydrosugars, including mannosan and galactosan, was carried out by high performance liquid chromatography with electrochemical detection. HULIS determination was made with a total organic carbon analyser and an infrared non dispersive detector, after the isolation of substances. Cellulose was present in PM10 at mass fractions (w/w) of 0.13%, 0.13%, 0.05% and 0.08% for Eucalyptus globulos, Pinus pinaster, Quercus suber and Acacia longifolia, respectively. Levoglucosan was the major anhydrosugar present in the samples, representing mass fractions of 14.71%, 3.80%, 6.78% and 1.91%, concerning the above mentioned wood species, respectively. The levoglucosan-to-mannosan ratio, usually used to evaluate the proportion of hardwood or softwood smoke in PM10, gave average values of 34.9 (Eucalyptus globulos), 3.40 (Pinus pinaster), 24.8 (Quercus suber) and 10.4 (Acacia longifolia). HULIS were present at mass fractions of 2.35%, 2.99%, 1.52% and 1.72% for the four wood species listed in the same order as before.

CAMEO Chemicals Software

Science.gov (United States)

CAMEO Chemicals is an extensive chemical database, available for download, with critical response information for thousands of chemicals, and a tool that tells you what reactions might occur if chemicals were mixed together.

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

Science.gov (United States)

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.

Combustion chemistry and formation of pollutants; Chimie de la combustion et formation des polluants

Energy Technology Data Exchange (ETDEWEB)

NONE

1996-12-31

This book of proceedings reports on 7 papers on combustion chemistry and formation of pollutants presented during the workshop organized by the `Combustion and Flames` section of the French society of thermal engineers. The chemistry of combustion is analyzed in various situations such as: turbojet engines, spark ignition engines, industrial burners, gas turbines etc... Numerical simulation is used to understand the physico-chemical processes involved in combustion, to describe the kinetics of oxidation, combustion and flame propagation, and to predict the formation of pollutants. (J.S.)

A Study of Interactions between Mixing and Chemical Reaction Using the Rate-Controlled Constrained-Equilibrium Method

Science.gov (United States)

Hadi, Fatemeh; Janbozorgi, Mohammad; Sheikhi, M. Reza H.; Metghalchi, Hameed

2016-10-01

The rate-controlled constrained-equilibrium (RCCE) method is employed to study the interactions between mixing and chemical reaction. Considering that mixing can influence the RCCE state, the key objective is to assess the accuracy and numerical performance of the method in simulations involving both reaction and mixing. The RCCE formulation includes rate equations for constraint potentials, density and temperature, which allows taking account of mixing alongside chemical reaction without splitting. The RCCE is a dimension reduction method for chemical kinetics based on thermodynamics laws. It describes the time evolution of reacting systems using a series of constrained-equilibrium states determined by RCCE constraints. The full chemical composition at each state is obtained by maximizing the entropy subject to the instantaneous values of the constraints. The RCCE is applied to a spatially homogeneous constant pressure partially stirred reactor (PaSR) involving methane combustion in oxygen. Simulations are carried out over a wide range of initial temperatures and equivalence ratios. The chemical kinetics, comprised of 29 species and 133 reaction steps, is represented by 12 RCCE constraints. The RCCE predictions are compared with those obtained by direct integration of the same kinetics, termed detailed kinetics model (DKM). The RCCE shows accurate prediction of combustion in PaSR with different mixing intensities. The method also demonstrates reduced numerical stiffness and overall computational cost compared to DKM.

Spectroscopic probes of vibrationally excited molecules at chemically significant energies

Energy Technology Data Exchange (ETDEWEB)

Rizzo, T.R. [Univ. of Rochester, NY (United States)

1993-12-01

This project involves the application of multiple-resonance spectroscopic techniques for investigating energy transfer and dissociation dynamics of highly vibrationally excited molecules. Two major goals of this work are: (1) to provide information on potential energy surfaces of combustion related molecules at chemically significant energies, and (2) to test theoretical modes of unimolecular dissociation rates critically via quantum-state resolved measurements.

New class of combustion processes

International Nuclear Information System (INIS)

Merzhanov, A.G.; Borovinskaya, I.P.

1975-01-01

A short review is given of the results of work carried out since 1967 on studying the combustion processes caused by the interaction of chemical elements in the condensed phase and leading to the formation of refractory compounds. New phenomena and processes are described which are revealed when investigating the combustion of the systems of this class, viz solid-phase combustion, fast combustion in the condensed phase, filtering combustion, combustion in liquid nitrogen, spinning combustion, self-oscillating combustion, and repeated combustion. A new direction in employment of combustion processes is discussed, viz. a self-propagating high-temperature synthesis of refractory nitrides, carbides, borides, silicides and other compounds

Chemical decontamination solutions: Effects on PWR equipment

International Nuclear Information System (INIS)

Pezze, C.M.; Colvin, E.R.; Aspden, R.G.

1992-01-01

A critical objective for the nuclear industry is the reduction of personnel exposure to radiation. Reductions have been achieved through industry's radiation management programs including training and radiation awareness concepts. Increased plant maintenance and higher radiation fields at many sites continue to raise concerns. To alleviate the radiation exposure problem, the sources of radiation which contribute to personnel exposure must be removed from the plant. A feasible was of significantly reducing these sources from a Pressurized Water Reactor (PWR) is to chemically decontaminate the entire reactor coolant system (RCS). A program was conducted to determine the technical acceptability of using certain dilute chemical solvent processes for full RCS chemical decontamination. The two processes evaluated were CAN-DEREM and LOMI. The purpose of the program was to define and complete a systematic evaluation of the major issues that need to be addressed for the successful decontamination of the entire RCS and affected portions of the auxiliary systems of a four-loop PWR system. A test program was designed to evaluate the corrosion effects of the two decontamination processes under expected plant conditions. Materials and sample configurations dictated by generic PWR components were evaluated. The testing also included many standard corrosion coupons. The test data were then used to assess the impact of chemical decontamination on the physical condition and operability of the components, equipment and mechanical systems that make up the RCS. An overview of the test program, sample configurations, data and engineering evaluations is presented. The data demonstrate that through detailed engineering evaluations of corrosion data and equipment function, the impact of full RCS chemical decontamination on plant equipment is established

Summaries of FY 1978 research in the chemical sciences

International Nuclear Information System (INIS)

1979-04-01

This report provides on indexed compilation of individual research projects that make up the DOE Chemical Sciences basic energy research program. The DOE in-house projects and projects supported at university and other non-DOE laboratories are reported in separate sections. An analysis and summary of funding levels are given. The research covers areas such as coal chemistry, catalysis, H 2 , combustion, solar photoconversion, fusion, atmospheric chemistry, and MHD

Summaries of FY 1978 research in the chemical sciences

Energy Technology Data Exchange (ETDEWEB)

Pierce, Elliot S.

1979-04-01

This report provides on indexed compilation of individual research projects that make up the DOE Chemical Sciences basic energy research program. The DOE in-house projects and projects supported at university and other non-DOE laboratories are reported in separate sections. An analysis and summary of funding levels are given. The research covers areas such as coal chemistry, catalysis, H/sub 2/, combustion, solar photoconversion, fusion, atmospheric chemistry, and MHD. (DLC)

Chemical systems, chemical contiguity and the emergence of life

DEFF Research Database (Denmark)

Kee, Terrence P.; Monnard, Pierre Alain

2017-01-01

to complex chemical systems over specific isolated functional apparatuses. We will summarize the recent advances in system chemistry and show that chemical systems in the geochemical context imply a form of chemical contiguity in the syntheses of the various molecules that precede modern biomolecules....

Physico-chemical characteristics of eight different biomass fuels and comparison of combustion and emission results in a small scale multi-fuel boiler

International Nuclear Information System (INIS)

Forbes, E.G.A.; Easson, D.L.; Lyons, G.A.; McRoberts, W.C.

2014-01-01

Highlights: • Physical parameters of the eight biomass fuels examined were all different. • Significant differences were found in Proximate, Ultimate and TGA results. • Energy outputs were not proportionate to dry matter energy content. • Highest flue ash production from fuels with highest fines content. • Flue gas emissions varied significantly, NOx levels correlated with fuel N content. - Abstract: This study describes the results from the investigation of 7 different biomass fuel types produced on a farm, and a commercial grade wood pellet, for their physical, chemical, thermo-gravimetric and combustion properties. Three types of short rotation coppice (SRC) willow, two species of conifers, forest residues (brash), commercially produced wood-pellets and a chop harvested energy grass crop Miscanthus giganteus spp., (elephant grass) were investigated. Significant differences (p < 0.05) were found in most of the raw fuel parameters examined using particle distribution, Thermogravimetric, Ultimate and Proximate analysis. Combustion tests in a 120 kW multi-fuel boiler revealed differences, some significant, in the maximum output, energy conversion efficiency, gaseous emission profiles and ash residues produced from the fuels. It was concluded that some of the combustion results could be directly correlated with the inherent properties of the different fuels. Ash production and gaseous emissions were the aspects of performance that were clearly and significantly different though effects on energy outputs were more varied and less consistent. The standard wood pellet fuel returned the best overall performance and miscanthus produced the largest amount of total ash and clinker after combustion in the boiler

Capacitive chemical sensor

Science.gov (United States)

Manginell, Ronald P; Moorman, Matthew W; Wheeler, David R

2014-05-27

A microfabricated capacitive chemical sensor can be used as an autonomous chemical sensor or as an analyte-sensitive chemical preconcentrator in a larger microanalytical system. The capacitive chemical sensor detects changes in sensing film dielectric properties, such as the dielectric constant, conductivity, or dimensionality. These changes result from the interaction of a target analyte with the sensing film. This capability provides a low-power, self-heating chemical sensor suitable for remote and unattended sensing applications. The capacitive chemical sensor also enables a smart, analyte-sensitive chemical preconcentrator. After sorption of the sample by the sensing film, the film can be rapidly heated to release the sample for further analysis. Therefore, the capacitive chemical sensor can optimize the sample collection time prior to release to enable the rapid and accurate analysis of analytes by a microanalytical system.

Method of heat decomposition for chemical decontaminating resin waste

International Nuclear Information System (INIS)

Kikuchi, Akira.

1988-01-01

Purpose: To make resin wastes into non-deleterious state, discharge them into a resin waste storage tank of existent radioactive waste processing facility and store and dispose them. Constitution: In the processing of chemical decontaminating resin wastes, iron exchange resins adsorbing chemical decontaminating agents comprising a solution of citric acid, oxalic acid, formic acid and EDTA alone or as a mixture of them are heated to dry, thermally decomposed and then separated from the ion exchange resins. That is, the main ingredients of the chemical decontaminating agents are heat-decomposed when heated and dried at about 250 deg C in air and converted into non-toxic gases such as CO, CO 2 , NO, NO 2 or H 2 O. Further, since combustion or carbonization of the basic materials for the resin is not caused at such a level of temperature, the resin wastes removed with organic acid and chelating agents are transferred to an existent resin waste storage tank and stored therein. In this way, facility cost and radiation exposure can remarkably be decreased. (Kamimura, M.)

Obtaining of a barium compound by combustion chemistry and their evaluation as Co adsorbent; Obtencion de un compuesto de bario por combustion quimica y su evaluacion como adsorbente de Co

Energy Technology Data Exchange (ETDEWEB)

Rosas G, N [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)

2008-07-01

In this work, barium carbonate synthesized by chemical combustion method using a chemical precursor prepared by the combination of barium nitrate and urea as a fuel, with a 1:1 molar ratio in aqueous solution, the chemical precursor was heated to evaporate excess water, producing a homogeneous viscous liquid, that when heated to 900 centi grades for 5 minutes an exothermic reaction was produced very quickly and abruptly, forming a white powder final product, fine porous, little spongy, dry and crystalline ready to be used as material adsorbent. Additionally, the effect of water on the synthesis by chemical combustion was studied. Simultaneously, and with the purpose of comparing the advantages and disadvantages of the method by chemical combustion, barium carbonate was synthesized by precipitation method using barium nitrate salts and sodium carbonate. Synthesized barium carbonate, was characterized by X-ray diffraction, thermal gravimetric analysis, infrared spectrometry and scanning electron microscopy. We studied the adsorption capacity of Co present in aqueous solution by static tests on materials synthesized at room temperature using the neutron activation analysis. It was found that the synthesis by chemical combustion provides an interesting alternative compared to the synthesis by precipitation because it offers simplicity of synthesis and speed to have a good adsorbent material. It was found that the barium carbonate synthesized by the chemical combustion method using in their synthesis 1.0 ml of water, was the one who achieved the maximum adsorption capacity of 95.6% compared with the barium carbonate prepared by precipitation, which reached a capacity adsorption of 51.48%. (Author)

Production of a refined biooil derived by fast pyrolysis of chicken manure with chemical and physical characteristics close to those of fossil fuels.

Science.gov (United States)

Monreal, Carlos M; Schnitzer, Morris

2011-01-01

The chemical and physical properties of raw biooils prevent their direct use in combustion engines. We processed raw pyrolytic biooil derived from chicken manure to yield a colorless refined biooil with diesel qualities. Chemical characterization of the refined biooil involved elemental and several spectroscopic analyses. The physical measurements employed were viscosity, density and heat of combustion. The elemental composition (% wt/wt) of the refined biooil was 82.7 % C, 15.3 % H, 0.2 % N and 1.8 % O, no S. Its viscosity was 0.006 Pa.s and a heat of combustion of 43 MJ kg(-1). The refined biooil fraction contains n-alkanes, ranging from n-C(14) to n-C(27), alkenes varying from C(10:1) to C(22:1), and long-chain alcohols. The refined biooil makes a good diesel fuel due to its chemical and physical properties.

Chemical Data Reporting Fact Sheet: Chemicals Snapshot

Science.gov (United States)

This fact sheet provides a brief overview of the chemical manufacturing, processing, and use information collected for the 2012 Chemical Data Reporting (CDR) rule. Users do not have access to the complete CDR data set and should draw conclusions with care.

Nuclear and Chemical Weapons and Materiel: Chemical Surety

National Research Council Canada - National Science Library

2001-01-01

.... It has been revised to update responsibilities, Personnel Reliability Program (PRP) procedures, transportation policies, chemical event notification, chemical accident or incident response and assistance (CAIRA...

Prediction of Non-Equilibrium Kinetics of Fuel-Rich Kerosene/LOX Combustion in Gas Generator

International Nuclear Information System (INIS)

Yu, Jung Min; Lee, Chang Jin

2007-01-01

Gas generator is the device to produce high enthalpy gases needed to drive turbo-pump system in liquid rocket engine. And, the combustion temperature in gas generator should be controlled below around 1,000K to avoid any possible thermal damages to turbine blade by using either fuel rich combustion or oxidizer rich combustion. Thus, nonequilibrium chemical reaction dominates in fuel-rich combustion of gas generator. Meanwhile, kerosene is a compounded fuel with various types of hydrocarbon elements and difficult to model the chemical kinetics. This study focuses on the prediction of the non-equilibrium reaction of fuel rich kerosene/LOX combustion with detailed kinetics developed by Dagaut using PSR (Perfectly Stirred Reactor) assumption. In Dagaut's surrogate model for kerosene, chemical kinetics of kerosene consists of 1,592 reaction steps with 207 chemical species. Also, droplet evaporation time is taken into account in the PSR calculation by changing the residence time of droplet in the gas generator. Frenklach's soot model was implemented along with detailed kinetics to calculate the gas properties of fuel rich combustion efflux. The results could provide very reliable and accurate numbers in the prediction of combustion gas temperature,species fraction and material properties

Method for storing radioactive combustible waste

Science.gov (United States)

Godbee, H.W.; Lovelace, R.C.

1973-10-01

A method is described for preventing pressure buildup in sealed containers which contain radioactively contaminated combustible waste material by adding an oxide getter material to the container so as to chemically bind sorbed water and combustion product gases. (Official Gazette)

An electrothermal chemical technology for thermal spray coatings

International Nuclear Information System (INIS)

Wald, S.; Appelbaum, G.; Alimi, R.; Rabani, L.; Zoler, D.; Zhitomirsky, V.; Factor, M.; Roman, I.

1998-01-01

A new spray technology for producing hard-coatings, has been developed at the SOREQ Nuclear Research Center. The concept is based on the extensive experience accumulated at SOREQ in the course of the development of Electrothermal (ET), Electrothermal-Chemical (ETC) and Solid-Propellant Electrothermal-Chemical (SPETC) guns(r). High quality coatings may be obtained by thermal spraying powder particles onto a variety of substrates. Mature state-of-the-art technologies such as plasma spray, high velocity oxy fuel (HVOF) and detonation gun (D-Gun) are widely used for many applications. As each method has its own drawbacks there is a need for a combination of several parameters which cannot be achieved by any existing individual commercial technology. The method presented is oriented toward a high-quality, multi-step, high-throughput, easily programmable continuous coating process and relatively inexpensive technology. The combustion products of a solid or liquid propellant accelerate the powder particles of the coating material. A pulsed-plasma jet, provided by a confined capillary discharge, ignites the propellant and controls the combustion process. The powder particles are accelerated to velocities over 1000 m/s. Due to the very high carrier gas density, high velocity, high throughput and high powder consumption efficiency are obtained. The plasma jet enables control of the gas temperature and consequently influences the powder temperature

Calculation of baryon chemical potential and strangeness chemical potential in resonance matter

International Nuclear Information System (INIS)

Fu Yuanyong; Hu Shouyang; Lu Zhongdao

2006-01-01

Based on the high energy heavy-ion collisions statistical model, the baryon chemical potential and strangeness chemical potential are calculated for resonance matter with net baryon density and net strangeness density under given temperature. Furthermore, the relationship between net baryon density, net strangeness density and baryon chemical potential, strangeness chemical potential are analyzed. The results show that baryon chemical potential and strangeness chemical potential increase with net baryon density and net strangeness density increasing, the change of net baryon density affects baryon chemical potential and strangeness chemical potential more strongly than the change of net strangeness density. (authors)

Toward the modeling of combustion reactions through discrete element method (DEM) simulations

Science.gov (United States)

Reis, Martina Costa; Alobaid, Falah; Wang, Yongqi

2018-03-01

In this work, the process of combustion of coal particles under turbulent regime in a high-temperature reaction chamber is modeled through 3D discrete element method (DEM) simulations. By assuming the occurrence of interfacial transport phenomena between the gas and solid phases, one investigates the influence of the physicochemical properties of particles on the rates of heterogeneous chemical reactions, as well as the influence of eddies present in the gas phase on the mass transport of reactants toward the coal particles surface. Moreover, by considering a simplistic chemical mechanism for the combustion process, thermochemical and kinetic parameters obtained from the simulations are employed to discuss some phenomenological aspects of the combustion process. In particular, the observed changes in the mass and volume of coal particles during the gasification and combustion steps are discussed by emphasizing the changes in the chemical structure of the coal. In addition to illustrate how DEM simulations can be used in the modeling of consecutive and parallel chemical reactions, this work also shows how heterogeneous and homogeneous chemical reactions become a source of mass and energy for the gas phase.

THE PHYSICAL AND CHEMICAL CHARACTERIZATION OF THE EMISSIONS FROM A RESIDENTIAL OIL BOILER

Science.gov (United States)

The toxicity of emissions from the combustion of home heating oil and the use of residential oil boilers (ROB) is an important health concern. Yet scant physical and chemical information about the emissions from this source are available for dispersion, climate, and source-recep...

Development of sodium droplet combustion analysis methodology using direct numerical simulation in 3-dimensional coordinate (COMET)

International Nuclear Information System (INIS)

Okano, Yasushi; Ohira, Hiroaki

1998-08-01

In the early stage of sodium leak event of liquid metal fast breeder reactor, LMFBR, liquid sodium flows out from a piping, and ignition and combustion of liquid sodium droplet might occur under certain environmental condition. Compressible forced air flow, diffusion of chemical species, liquid sodium droplet behavior, chemical reactions and thermodynamic properties should be evaluated with considering physical dependence and numerical connection among them for analyzing combustion of sodium liquid droplet. A direct numerical simulation code was developed for numerical analysis of sodium liquid droplet in forced convection air flow. The numerical code named COMET, 'Sodium Droplet COmbustion Analysis METhodology using Direct Numerical Simulation in 3-Dimensional Coordinate'. The extended MAC method was used to calculate compressible forced air flow. Counter diffusion among chemical species is also calculated. Transport models of mass and energy between droplet and surrounding atmospheric air were developed. Equation-solving methods were used for computing multiphase equilibrium between sodium and air. Thermodynamic properties of chemical species were evaluated using dynamic theory of gases. Combustion of single sphere liquid sodium droplet in forced convection, constant velocity, uniform air flow was numerically simulated using COMET. Change of droplet diameter with time was closely agree with d 2 -law of droplet combustion theory. Spatial distributions of combustion rate and heat generation and formation, decomposition and movement of chemical species were analyzed. Quantitative calculations of heat generation and chemical species formation in spray combustion are enabled for various kinds of environmental condition by simulating liquid sodium droplet combustion using COMET. (author)

Chemical Emergencies - Multiple Languages

Science.gov (United States)

... Chemical Emergencies - bosanski (Bosnian) PDF Chemical Emergencies - English MP3 Chemical Emergencies - bosanski (Bosnian) MP3 Chemical Emergencies - English MP4 Chemical Emergencies - bosanski (Bosnian) ...

The chemical juggernaut.

Science.gov (United States)

Cadbury, D

1997-01-01

Man-made chemicals pervade and support every aspect of modern living. The chemical industry has become such a powerful force in the global economy, sales of synthetic chemicals and products derived from them constitute well in excess of a third of the world's gross national product. But, these man-made chemicals are also 'elixirs of death,' the symbol of human destruction. Laboratory tests have shown that a number of chemicals in common use possess a remarkable property: they can weakly mimic or modify the action of human hormones. It has been proven that some chemicals found in plastics, pesticides, and industrial products are weakly estrogenic, modifying the action of the female hormone. In addition, other chemicals affect the male hormones, androgens, or anti-androgens; others are thought to target different hormone systems, such as thyroid and adrenal glands. Many research studies are being conducted to establish the impact of chemicals on human health. Of special concern are the rising incidence of testicular cancer, decline in human sperm counts, and the sharp rise of breast cancer. In conclusion, although there is a worldwide debate on the effects of chemical exposure on humans, the significance of findings for human health, concerning testicular and breast cancer, are still unknown. An international treaty is called for to control the use of the persistent hormonally active chemicals.

Recent Trends in the Production, Combustion and Modeling of Furan-Based Fuels

Directory of Open Access Journals (Sweden)

Mazen A. Eldeeb

2018-02-01

Full Text Available There is growing interest in the use of furans, a class of alternative fuels derived from biomass, as transportation fuels. This paper reviews recent progress in the characterization of its combustion properties. It reviews their production processes, theoretical kinetic explorations and fundamental combustion properties. The theoretical efforts are focused on the mechanistic pathways for furan decomposition and oxidation, as well as the development of detailed chemical kinetic models. The experiments reviewed are mostly concerned with the temporal evolutions of homogeneous reactors and the propagation of laminar flames. The main thrust in homogeneous reactors is to determine global chemical time scales such as ignition delay times. Some studies have adopted a comparative approach to bring out reactivity differences. Chemical kinetic models with varying degrees of predictive success have been established. Experiments have revealed the relative behavior of their combustion. The growing body of literature in this area of combustion chemistry of alternative fuels shows a great potential for these fuels in terms of sustainable production and engine performance. However, these studies raise further questions regarding the chemical interactions of furans with other hydrocarbons. There are also open questions about the toxicity of the byproducts of combustion.

pyJac: Analytical Jacobian generator for chemical kinetics

Science.gov (United States)

Niemeyer, Kyle E.; Curtis, Nicholas J.; Sung, Chih-Jen

2017-06-01

Accurate simulations of combustion phenomena require the use of detailed chemical kinetics in order to capture limit phenomena such as ignition and extinction as well as predict pollutant formation. However, the chemical kinetic models for hydrocarbon fuels of practical interest typically have large numbers of species and reactions and exhibit high levels of mathematical stiffness in the governing differential equations, particularly for larger fuel molecules. In order to integrate the stiff equations governing chemical kinetics, generally reactive-flow simulations rely on implicit algorithms that require frequent Jacobian matrix evaluations. Some in situ and a posteriori computational diagnostics methods also require accurate Jacobian matrices, including computational singular perturbation and chemical explosive mode analysis. Typically, finite differences numerically approximate these, but for larger chemical kinetic models this poses significant computational demands since the number of chemical source term evaluations scales with the square of species count. Furthermore, existing analytical Jacobian tools do not optimize evaluations or support emerging SIMD processors such as GPUs. Here we introduce pyJac, a Python-based open-source program that generates analytical Jacobian matrices for use in chemical kinetics modeling and analysis. In addition to producing the necessary customized source code for evaluating reaction rates (including all modern reaction rate formulations), the chemical source terms, and the Jacobian matrix, pyJac uses an optimized evaluation order to minimize computational and memory operations. As a demonstration, we first establish the correctness of the Jacobian matrices for kinetic models of hydrogen, methane, ethylene, and isopentanol oxidation (number of species ranging 13-360) by showing agreement within 0.001% of matrices obtained via automatic differentiation. We then demonstrate the performance achievable on CPUs and GPUs using py

The modelling of direct chemical kinetic effects in turbulent flames

Energy Technology Data Exchange (ETDEWEB)

Lindstet, R.P. [Imperial College of Science, Technology and Medicine, London (United Kingdom). Dept. of Mechanical Engineering

2000-06-01

Combustion chemistry-related effects have traditionally been of secondary importance in the design of gas turbine combustors. However, the need to deal with issues such as flame stability, relight and pollutant emissions has served to bring chemical kinetics and the coupling of finite rate chemistry with turbulent flow fields to the centre of combustor design. Indeed, improved cycle efficiency and more stringent environmental legislation, as defined by the ICAO, are current key motivators in combustor design. Furthermore, lean premixed prevaporized (LPP) combustion systems, increasingly used for power generation, often operate close to the lean blow-off limit and are prone to extinction/reignition type phenomena. Thus, current key design issues require that direct chemical kinetic effects be accounted for accurately in any simulation procedure. The transported probability density function (PDF) approach uniquely offers the potential of facilitating the accurate modelling of such effects. The present paper thus assesses the ability of this technique to model kinetically controlled phenomena, such as carbon monoxide emissions and flame blow-off, through the application of a transported PDF method closed at the joint scalar level. The closure for the velocity field is at the second moment level, and a key feature of the present work is the use of comprehensive chemical kinetic mechanisms. The latter are derived from recent work by Lindstedt and co-workers that has resulted in a compact 141 reactions and 28 species mechanism for LNG combustion. The systematically reduced form used here features 14 independent C/H/O scalars, with the remaining species incorporated via steady state approximations. Computations have been performed for hydrogen/carbon dioxide and methane flames. The former (high Reynolds number) flames permit an assessment of the modelling of flame blow-off, and the methane flame has been selected to obtain an indication of the influence of differential

Computational Study of Stratified Combustion in an Optical Diesel Engine

KAUST Repository

Jaasim, Mohammed

2017-03-28

Full cycle simulations of KAUST optical diesel engine were conducted in order to provide insights into the details of fuel spray, mixing, and combustion characteristics at different start of injection (SOI) conditions. Although optical diagnostics provide valuable information, the high fidelity simulations with matched parametric conditions improve fundamental understanding of relevant physical and chemical processes by accessing additional observables such as the local mixture distribution, intermediate species concentrations, and detailed chemical reaction rates. Commercial software, CONVERGE™, was used as the main simulation tool, with the Reynolds averaged Navier-Stokes (RANS) turbulence model and the multi-zone (SAGE) combustion model to compute the chemical reaction terms. SOI is varied from late compression ignition (CI) to early partially premixed combustion (PPC) conditions. The simulation results revealed a stronger correlation between fuel injection timing and combustion phasing for late SOI conditions, whereas the combustion phasing starts to decouple from SOI for early SOI cases. The predictions are consistent with the experimental observations, in terms of the overall trends in combustion and emission characteristics, while the high fidelity simulations provided further insights into the effects of mixture stratifications resulting from different SOI conditions.

Chemical sensor

Science.gov (United States)

Rauh, R. David (Inventor)

1990-01-01

A sensor for detecting a chemical substance includes an insertion element having a structure which enables insertion of the chemical substance with a resulting change in the bulk electrical characteristics of the insertion element under conditions sufficient to permit effective insertion; the change in the bulk electrical characteristics of the insertion element is detected as an indication of the presence of the chemical substance.

Automated chemical kinetic modeling via hybrid reactive molecular dynamics and quantum chemistry simulations.

Science.gov (United States)

Döntgen, Malte; Schmalz, Felix; Kopp, Wassja A; Kröger, Leif C; Leonhard, Kai

2018-06-13

An automated scheme for obtaining chemical kinetic models from scratch using reactive molecular dynamics and quantum chemistry simulations is presented. This methodology combines the phase space sampling of reactive molecular dynamics with the thermochemistry and kinetics prediction capabilities of quantum mechanics. This scheme provides the NASA polynomial and modified Arrhenius equation parameters for all species and reactions that are observed during the simulation and supplies them in the ChemKin format. The ab initio level of theory for predictions is easily exchangeable and the presently used G3MP2 level of theory is found to reliably reproduce hydrogen and methane oxidation thermochemistry and kinetics data. Chemical kinetic models obtained with this approach are ready-to-use for, e.g., ignition delay time simulations, as shown for hydrogen combustion. The presented extension of the ChemTraYzer approach can be used as a basis for methodologically advancing chemical kinetic modeling schemes and as a black-box approach to generate chemical kinetic models.

Dynamics and Control of Chemical Reactors-Selectively Surveyed

DEFF Research Database (Denmark)

Jørgensen, S. B.; Jensen, N.

1989-01-01

The chemical reactor or bioreactor is physically at a central position in a process, and often with a decisive role on the overall technical and economical performance. Even though application of feedback control on reactors is gaining momentum and on-line optimization has been implemented....... For bioreactors the theory and practice of reactor design, dynamics and control have to be adapted to the peculiarities of the biological catalysts. Enzymes, the protein catalysts, are the simplest ones, which have many common features with chemical catalysts. The living cells are much more complex, these growing...... in industry, many reactor control problems are still left unsolved or only partly solved using open loop strategies where disturbance rejection and model inaccuracies have to be handled through manual reactor control and feedback control of raw material preprocessing and product purification operations...

Combustion science and engineering

CERN Document Server

Annamalai, Kalyan

2006-01-01

Introduction and Review of Thermodynamics Introduction Combustion Terminology Matter and Its Properties Microscopic Overview of Thermodynamics Conservation of Mass and Energy and the First Law of Thermodynamics The Second Law of Thermodynamics Summary Stoichiometry and Thermochemistry of Reacting Systems Introduction Overall Reactions Gas Analyses Global Conservation Equations for Reacting Systems Thermochemistry Summary Appendix Reaction Direction and Equilibrium Introduction Reaction Direction and Chemical Equilibrium Chemical Equilibrium Relations Vant Hoff Equation Adi

Coal structure and reactivity changes induced by chemical demineralisation

Energy Technology Data Exchange (ETDEWEB)

Rubiera, F.; Arenillas, A.; Pevida, C.; Garcia, R.; Pis, J.J. [Department of Energy and Environment, Instituto Nacional del Carbon, CSIC, Apartado 73, 33080 Oviedo (Spain); Steel, K.M.; Patrick, J.W. [Fuel Technology Group, School of Chemical, Environmental and Mining Engineering, Nottingham University, University Park, NG7 2RD Nottingham (United Kingdom)

2002-12-01

The aim of this work was to determine the influence that an advanced demineralisation procedure has on the combustion characteristics of coal. A high-volatile bituminous coal with 6.2% ash content was treated in a mixture of hydrofluoric and fluorosilicic acids (HF/H{sub 2}SiF{sub 6}). Nitric acid was used either as a pretreatment, or as a washing stage after HF/H{sub 2}SiF{sub 6} demineralisation, with an ash content as low as 0.3% being attained in the latter case. The structural changes produced by the chemical treatment were evaluated by comparison of the FTIR spectra of the raw and treated coal samples. The devolatilisation and combustibility behaviour of the samples was studied by using a thermobalance coupled to a mass spectrometer (TGA-MS) for evolved gas analysis. The combustibility characteristics of the cleaned samples were clearly improved, there being a decrease in SO{sub 2} emissions.

Obtaining of a barium compound by combustion chemistry and their evaluation as Co adsorbent

International Nuclear Information System (INIS)

Rosas G, N.

2008-01-01

In this work, barium carbonate synthesized by chemical combustion method using a chemical precursor prepared by the combination of barium nitrate and urea as a fuel, with a 1:1 molar ratio in aqueous solution, the chemical precursor was heated to evaporate excess water, producing a homogeneous viscous liquid, that when heated to 900 centi grades for 5 minutes an exothermic reaction was produced very quickly and abruptly, forming a white powder final product, fine porous, little spongy, dry and crystalline ready to be used as material adsorbent. Additionally, the effect of water on the synthesis by chemical combustion was studied. Simultaneously, and with the purpose of comparing the advantages and disadvantages of the method by chemical combustion, barium carbonate was synthesized by precipitation method using barium nitrate salts and sodium carbonate. Synthesized barium carbonate, was characterized by X-ray diffraction, thermal gravimetric analysis, infrared spectrometry and scanning electron microscopy. We studied the adsorption capacity of Co present in aqueous solution by static tests on materials synthesized at room temperature using the neutron activation analysis. It was found that the synthesis by chemical combustion provides an interesting alternative compared to the synthesis by precipitation because it offers simplicity of synthesis and speed to have a good adsorbent material. It was found that the barium carbonate synthesized by the chemical combustion method using in their synthesis 1.0 ml of water, was the one who achieved the maximum adsorption capacity of 95.6% compared with the barium carbonate prepared by precipitation, which reached a capacity adsorption of 51.48%. (Author)

Hazardous Chemicals

Centers for Disease Control (CDC) Podcasts

Chemicals are a part of our daily lives, providing many products and modern conveniences. With more than three decades of experience, The Centers for Disease Control and Prevention (CDC) has been in the forefront of efforts to protect and assess people's exposure to environmental and hazardous chemicals. This report provides information about hazardous chemicals and useful tips on how to protect you and your family from harmful exposure.

NATO Advanced Research Workshop on The Theory of Chemical Reaction Dynamics

CERN Document Server

1986-01-01

The calculation of cross sections and rate constants for chemical reactions in the gas phase has long been a major problem in theoretical chemistry. The need for reliable and applicable theories in this field is evident when one considers the significant recent advances that have been made in developing experimental techniques, such as lasers and molecular beams, to probe the microscopic details of chemical reactions. For example, it is now becoming possible to measure cross sections for chemical reactions state selected in the vibrational­ rotational states of both reactants and products. Furthermore, in areas such as atmospheric, combustion and interstellar chemistry, there is an urgent need for reliable reaction rate constant data over a range of temperatures, and this information is often difficult to obtain in experiments. The classical trajectory method can be applied routinely to simple reactions, but this approach neglects important quantum mechanical effects such as tunnelling and resonances. For al...

Chemical and non-chemical stressors affecting childhood obesity: a systematic scoping review.

Science.gov (United States)

Lichtveld, Kim; Thomas, Kent; Tulve, Nicolle S

2018-01-01

Childhood obesity in the United States has doubled over the last three decades and currently affects 17% of children and adolescents. While much research has focused on individual behaviors impacting obesity, little research has emphasized the complex interactions of numerous chemical and non-chemical stressors found in a child's environment and how these interactions affect a child's health and well-being. The objectives of this systematic scoping review were to (1) identify potential chemical stressors in the context of non-chemical stressors that impact childhood obesity; and, (2) summarize our observations for chemical and non-chemical stressors in regards to child-specific environments within a community setting. A review was conducted to identify chemical and non-chemical stressors related to childhood obesity for the childhood life stages ranging from prenatal to adolescence. Stressors were identified and grouped into domains: individual behaviors, family/household behaviors, community stressors, and chemical exposures. Stressors were related to the child and the child's everyday environments and used to characterize child health and well-being. This review suggests that the interactions of chemical and non-chemical stressors are important for understanding a child's overall health and well-being. By considering these relationships, the exposure science research community can better design and implement strategies to reduce childhood obesity.

Toxicological and chemical characterization of the process stream materials and gas combustion products of an experimental low-btu coal gasifier.

Science.gov (United States)

Benson, J M; Hanson, R L; Royer, R E; Clark, C R; Henderson, R F

1984-04-01

The process gas stream of an experimental pressurized McDowell-Wellman stirred-bed low-Btu coal gasifier, and combustion products of the clean gas were characterized as to their mutagenic properties and chemical composition. Samples of aerosol droplets condensed from the gas were obtained at selected positions along the process stream using a condenser train. Mutagenicity was assessed using the Ames Salmonella mammalian microsome mutagenicity assay (TA98, with and without rat liver S9). All materials required metabolic activation to be mutagenic. Droplets condensed from gas had a specific mutagenicity of 6.7 revertants/microgram (50,000 revertants/liter of raw gas). Methylnaphthalene, phenanthrene, chrysene, and nitrogen-containing compounds were positively identified in a highly mutagenic fraction of raw gas condensate. While gas cleanup by the humidifier-tar trap system and Venturi scrubber led to only a small reduction in specific mutagenicity of the cooled process stream material (4.1 revertants/microgram), a significant overall reduction in mutagenicity was achieved (to 2200 revertants/liter) due to a substantial reduction in the concentration of material in the gas. By the end of gas cleanup, gas condensates had no detectable mutagenic activity. Condensates of combustion product gas, which contained several polycyclic aromatic compounds, had a specific mutagenicity of 1.1 revertants/microgram (4.0 revertants/liter). Results indicate that the process stream material is potentially toxic and that care should be taken to limit exposure of workers to the condensed tars during gasifier maintenance and repair and to the aerosolized tars emitted in fugitive emissions. Health risks to the general population resulting from exposure to gas combustion products are expected to be minimal.

The chemical monitoring and control during temporary turbine trip or reactor scram of nuclear power plant

International Nuclear Information System (INIS)

Liu Heng

2012-01-01

During normal operation, a malfunction of equipment or improper operation sometimes results in a turbine trip or reactor scram or even cold shutdown. Because present chemical control strategy and programs aimed at the situation of normal operation and planed refueling outage, no integrate emergency program of radiochemical and chemical control had been developed to focus on this urgent and unexpected situation. After many years of practice and experience feedback, chemists have created an emergency collaborative program of radiochemical and chemical control which aims at these unexpected situations such as unplanned unit down power, turbine trip, or reactor scram. The program defines different radiochemical and chemical control measures and steps during different status to monitor primary loop dose rate variation, fuel assembly integrity and water chemical excursion to prevent components from corrosion. (author)

Ash chemistry and behavior in advanced co-combustion

Energy Technology Data Exchange (ETDEWEB)

Hupa, M; Skrifvars, B J [Aabo Akademi, Turku (Finland). Combustion Chemistry Research Group

1997-10-01

The purpose of this LIEKKI 2 project is to report results achieved within the EU/JOULE/OPTEB project to the Finnish combustion research community through the LIEKKI program. The purpose of the EU/JOULE/OPTEB project is to find prediction methods for evaluating ash behavior, such as slagging, fouling and corrosion propensity, in full scale combustion systems through chemical or mineralogical analyses, intelligent laboratory tests and chemistry calculations. The project focuses on coals, coal mixtures and coal biomass mixtures fired in advanced combustion systems, such as fluidized bed boilers, pulverized fuel boilers with critical steam values etc. The project will make use of (1) advanced multi-component combustion equilibrium calculations, (2) ash sintering tendency laboratory tests and (3) chemical evaluations of slagging, fouling and corrosion measurements in full scale units. (orig.)

Chemical Emergencies Overview

Science.gov (United States)

... Address What's this? Submit What's this? Submit Button Chemical Emergencies Overview Recommend on Facebook Tweet Share Compartir ... themselves during and after such an event. What chemical emergencies are A chemical emergency occurs when a ...

Physico-chemical, mineralogical and chemical considerations in ...

African Journals Online (AJOL)

... pH (5.17 – 6.90) and EC (16.53 – 149.20ìS/cm). Values from physico-chemical analyses, secondary minerals abundance index (SMAI) and chemical index of alteration (CIA) of the soils were reflective of particles with high potential for sliding. With major contributions from favourable slope, seismic and hydrologic forces, ...

Chemical Oscillations

Indian Academy of Sciences (India)

IMTECH),. Chandigarh. Praveen Kumar is pursuing his PhD in chemical dynamics at. Panjab University,. Chandigarh. Keywords. Chemical oscillations, autoca-. talYSis, Lotka-Volterra model, bistability, hysteresis, Briggs-. Rauscher reaction.

Thermodynamic chemical energy transfer mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium chemical reactions

International Nuclear Information System (INIS)

Roh, Heui-Seol

2015-01-01

Chemical energy transfer mechanisms at finite temperature are explored by a chemical energy transfer theory which is capable of investigating various chemical mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium. Gibbs energy fluxes are obtained as a function of chemical potential, time, and displacement. Diffusion, convection, internal convection, and internal equilibrium chemical energy fluxes are demonstrated. The theory reveals that there are chemical energy flux gaps and broken discrete symmetries at the activation chemical potential, time, and displacement. The statistical, thermodynamic theory is the unification of diffusion and internal convection chemical reactions which reduces to the non-equilibrium generalization beyond the quasi-equilibrium theories of migration and diffusion processes. The relationship between kinetic theories of chemical and electrochemical reactions is also explored. The theory is applied to explore non-equilibrium chemical reactions as an illustration. Three variable separation constants indicate particle number constants and play key roles in describing the distinct chemical reaction mechanisms. The kinetics of chemical energy transfer accounts for the four control mechanisms of chemical reactions such as activation, concentration, transition, and film chemical reactions. - Highlights: • Chemical energy transfer theory is proposed for non-, quasi-, and equilibrium. • Gibbs energy fluxes are expressed by chemical potential, time, and displacement. • Relationship between chemical and electrochemical reactions is discussed. • Theory is applied to explore nonequilibrium energy transfer in chemical reactions. • Kinetics of non-equilibrium chemical reactions shows the four control mechanisms

Economic Benefit from Progressive Integration of Scheduling and Control for Continuous Chemical Processes

Directory of Open Access Journals (Sweden)

Logan D. R. Beal

2017-12-01

Full Text Available Performance of integrated production scheduling and advanced process control with disturbances is summarized and reviewed with four progressive stages of scheduling and control integration and responsiveness to disturbances: open-loop segregated scheduling and control, closed-loop segregated scheduling and control, open-loop scheduling with consideration of process dynamics, and closed-loop integrated scheduling and control responsive to process disturbances and market fluctuations. Progressive economic benefit from dynamic rescheduling and integrating scheduling and control is shown on a continuously stirred tank reactor (CSTR benchmark application in closed-loop simulations over 24 h. A fixed horizon integrated scheduling and control formulation for multi-product, continuous chemical processes is utilized, in which nonlinear model predictive control (NMPC and continuous-time scheduling are combined.

Spectral Quasi-Equilibrium Manifold for Chemical Kinetics.

Science.gov (United States)

Kooshkbaghi, Mahdi; Frouzakis, Christos E; Boulouchos, Konstantinos; Karlin, Iliya V

2016-05-26

The Spectral Quasi-Equilibrium Manifold (SQEM) method is a model reduction technique for chemical kinetics based on entropy maximization under constraints built by the slowest eigenvectors at equilibrium. The method is revisited here and discussed and validated through the Michaelis-Menten kinetic scheme, and the quality of the reduction is related to the temporal evolution and the gap between eigenvalues. SQEM is then applied to detailed reaction mechanisms for the homogeneous combustion of hydrogen, syngas, and methane mixtures with air in adiabatic constant pressure reactors. The system states computed using SQEM are compared with those obtained by direct integration of the detailed mechanism, and good agreement between the reduced and the detailed descriptions is demonstrated. The SQEM reduced model of hydrogen/air combustion is also compared with another similar technique, the Rate-Controlled Constrained-Equilibrium (RCCE). For the same number of representative variables, SQEM is found to provide a more accurate description.

Chemical-induced Vitiligo

Science.gov (United States)

Harris, John E.

2016-01-01

Synopsis Chemical-induced depigmentation of the skin has been recognized for over 75 years, first as an occupational hazard but then extending to those using household commercial products as common as hair dyes. Since their discovery, these chemicals have been used therapeutically in patients with severe vitiligo to depigment their remaining skin and improve their appearance. The importance of recognizing this phenomenon was highlighted during an outbreak of vitiligo in Japan during the summer of 2013, when over 16,000 users of a new skin lightening cosmetic cream developed skin depigmentation at the site of contact with the cream and many in remote areas as well. Depigmenting chemicals appear to be analogs of the amino acid tyrosine that disrupt melanogenesis and result in autoimmunity and melanocyte destruction. Because chemical-induced depigmentation is clinically and histologically indistinguishable from non-chemically induced vitiligo, and because these chemicals appear to induce melanocyte autoimmunity, this phenomenon should be known as “chemical-induced vitiligo”, rather than less accurate terms that have been previously used. PMID:28317525

Development of Bi-phase sodium-oxygen-hydrogen chemical equilibrium calculation program (BISHOP) using Gibbs free energy minimization method

International Nuclear Information System (INIS)

Okano, Yasushi

1999-08-01

In order to analyze the reaction heat and compounds due to sodium combustion, the multiphase chemical equilibrium calculation program for chemical reaction among sodium, oxygen and hydrogen is developed in this study. The developed numerical program is named BISHOP; which denotes Bi-Phase, Sodium - Oxygen - Hydrogen, Chemical Equilibrium Calculation Program'. Gibbs free energy minimization method is used because of the special merits that easily add and change chemical species, and generally deal many thermochemical reaction systems in addition to constant temperature and pressure one. Three new methods are developed for solving multi-phase sodium reaction system in this study. One is to construct equation system by simplifying phase, and the other is to expand the Gibbs free energy minimization method into multi-phase system, and the last is to establish the effective searching method for the minimum value. Chemical compounds by the combustion of sodium in the air are calculated using BISHOP. The Calculated temperature and moisture conditions where sodium-oxide and hydroxide are formed qualitatively agree with the experiments. Deformation of sodium hydride is calculated by the program. The estimated result of the relationship between the deformation temperature and pressure closely agree with the well known experimental equation of Roy and Rodgers. It is concluded that BISHOP can be used for evaluated the combustion and deformation behaviors of sodium and its compounds. Hydrogen formation condition of the dump-tank room at the sodium leak event of FBR is quantitatively evaluated by BISHOP. It can be concluded that to keep the temperature of dump-tank room lower is effective method to suppress the formation of hydrogen. In case of choosing the lower inflammability limit of 4.1 mol% as the hydrogen concentration criterion, formation reaction of sodium hydride from sodium and hydrogen is facilitated below the room temperature of 800 K, and concentration of hydrogen

Finding Chemical Structures Corresponding to a Set of Coordinates in Chemical Descriptor Space.

Science.gov (United States)

Miyao, Tomoyuki; Funatsu, Kimito

2017-08-01

When chemical structures are searched based on descriptor values, or descriptors are interpreted based on values, it is important that corresponding chemical structures actually exist. In order to consider the existence of chemical structures located in a specific region in the chemical space, we propose to search them inside training data domains (TDDs), which are dense areas of a training dataset in the chemical space. We investigated TDDs' features using diverse and local datasets, assuming that GDB11 is the chemical universe. These two analyses showed that considering TDDs gives higher chance of finding chemical structures than a random search-based method, and that novel chemical structures actually exist inside TDDs. In addition to those findings, we tested the hypothesis that chemical structures were distributed on the limited areas of chemical space. This hypothesis was confirmed by the fact that distances among chemical structures in several descriptor spaces were much shorter than those among randomly generated coordinates in the training data range. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Combustible radioactive waste treatment by incineration and chemical digestion

International Nuclear Information System (INIS)

Stretz, L.A.; Crippen, M.D.; Allen, C.R.

1980-01-01

A review is given of present and planned combustible radioactive waste treatment systems in the US. Advantages and disadvantages of various systems are considered. Design waste streams are discussed in relation to waste composition, radioactive contaminants by amount and type, and special operating problems caused by the waste

Some Factors Affecting Combustion in an Internal-Combustion Engine

Science.gov (United States)

Rothrock, A M; Cohn, Mildred

1936-01-01

An investigation of the combustion of gasoline, safety, and diesel fuels was made in the NACA combustion apparatus under conditions of temperature that permitted ignition by spark with direct fuel injection, in spite of the compression ratio of 12.7 employed. The influence of such variables as injection advance angle, jacket temperature, engine speed, and spark position was studied. The most pronounced effect was that an increase in the injection advance angle (beyond a certain minimum value) caused a decrease in the extent and rate of combustion. In almost all cases combustion improved with increased temperature. The results show that at low air temperatures the rates of combustion vary with the volatility of the fuel, but that at high temperatures this relationship does not exist and the rates depend to a greater extent on the chemical nature of the fuel.

Mathematical Modeling in Combustion Science

CERN Document Server

Takeno, Tadao

1988-01-01

An important new area of current research in combustion science is reviewed in the contributions to this volume. The complicated phenomena of combustion, such as chemical reactions, heat and mass transfer, and gaseous flows, have so far been studied predominantly by experiment and by phenomenological approaches. But asymptotic analysis and other recent developments are rapidly changing this situation. The contributions in this volume are devoted to mathematical modeling in three areas: high Mach number combustion, complex chemistry and physics, and flame modeling in small scale turbulent flow combustion.

Physical and chemical effects of low octane gasoline fuels on compression ignition combustion

KAUST Repository

Badra, Jihad; Viollet, Yoann; Elwardani, Ahmed Elsaid; Im, Hong G.; Chang, Junseok

2016-01-01

Gasoline compression ignition (GCI) engines running on low octane gasoline fuels are considered an attractive alternative to traditional spark ignition engines. In this study, three fuels with different chemical and physical characteristics have

Tabulated chemical kinetics for efficient and detailed simulations of diesel engine combustion

NARCIS (Netherlands)

Bekdemir, C.

2012-01-01

Efficient and detailed computational tools to simulate engine combustion are of great importance. The internal combustion engine will remain the primary mean for transportation in the decades to come. Especially diesel engines are, and become increasingly more, popular because of their high

CSP-based chemical kinetics mechanisms simplification strategy for non-premixed combustion: An application to hybrid rocket propulsion

KAUST Repository

Ciottoli, Pietro P.; Malpica Galassi, Riccardo; Lapenna, Pasquale E.; Leccese, G.; Bianchi, D.; Nasuti, F.; Creta, F.; Valorani, M.

2017-01-01

A set of simplified chemical kinetics mechanisms for hybrid rocket applications using gaseous oxygen (GOX) and hydroxyl-terminated polybutadiene (HTPB) is proposed. The starting point is a 561-species, 2538-reactions, detailed chemical kinetics

Important sources and chemical species of ambient fine particles related to adverse health effects

Science.gov (United States)

Heo, J.

2017-12-01

Although many epidemiological studies have reported that exposure to ambient fine particulate matter (PM2.5) has been linked to increases in mortality and mobidity health outcomes, the key question of which chemical species and sources of PM2.5 are most harmful to public health remains unanswered in the air pollution research area. This study was designed to address the key question with evaluating the risks of exposure to chemical species and source-specific PM2.5 mass on morbidity. Hourly measurements of PM2.5 mass and its major chemical species, including organic carbon, elemental carbon, ions, and trace elements, were observed from January 1 to December 31, 2013 at four of the PM2.5 supersites in urban environments in Korea and the reuslts were used in a positive matrix factorization to estimate source contributions to PM2.5 mass. Nine sources, including secondary sulfate, secondary nitrate, mobile, biomass burning, roadway emission, industry, oil combustion, soil, and aged sea salt, were identified and secondary inorganic aerosol factors (i.e. secondary sulfalte, and secondary nitrate) were the dominant sources contributing to 40% of the total PM2.5 mass in the study region. In order to evaluate the risks of exposure to chemical species and sources of PM2.5 on morbidity, emergency room visits for cardivascular disease and respiratory disease were considered. Hourly health outcomes were compared with hourly measurments of the PM2.5 chemical species and sources using a poission generalized linear model incorporating natural splines, as well as time-stratified case-crossover design. The PM2.5 mass and speveral chemical components, such as organic carbon, elemetal carbon, zinc, and potassium, were strongly associated with morbidity. Source-apporitionmened PM2.5 mass derived from biomass burning, and mobile sources, was significantly associated with cardiovascular and respiratory diseases. The findings represent that local combustion may be particularly important

Quantum Chemical Study of Supercritical Carbon Dioxide Effects on Combustion Kinetics.

Science.gov (United States)

Masunov, Artëm E; Wait, Elizabeth E; Atlanov, Arseniy A; Vasu, Subith S

2017-05-18

In oxy-fuel combustion, the pure oxygen (O 2 ), diluted with CO 2 is used as oxidant instead air. Hence, the combustion products (CO 2 and H 2 O) are free from pollution by nitrogen oxides. Moreover, high pressures result in the near-liquid density of CO 2 at supercritical state (sCO 2 ). Unfortunately, the effects of sCO 2 on the combustion kinetics are far from being understood. To assist in this understanding, in this work we are using quantum chemistry methods. Here we investigate potential energy surfaces of important combustion reactions in the presence of the carbon dioxide molecule. All transition states and reactant and product complexes are reported for three reactions: H 2 CO + HO 2 → HCO + H 2 O 2 (R1), 2HO 2 → H 2 O 2 + O 2 (R2), and CO + OH → CO 2 + H (R3). In reaction R3, covalent binding of CO 2 to the OH radical and then the CO molecule opens a new pathway, including hydrogen transfer from oxygen to carbon atoms followed by CH bond dissociation. Compared to the bimolecular OH + CO mechanism, this pathway reduces the activation barrier by 5 kcal/mol and is expected to accelerate the reaction. In the case of hydroperoxyl self-reaction 2HO 2 → H 2 O 2 + O 2 the intermediates, containing covalent bonds to CO 2 are found not to be competitive. However, the spectator CO 2 molecule can stabilize the cyclic transition state and lower the barrier by 3 kcal/mol. Formation of covalent intermediates is also discovered in the H 2 CO + HO 2 → HCO + H 2 O 2 reaction, but these species lead to substantially higher activation barriers, which makes them unlikely to play a role in hydrogen transfer kinetics. The van der Waals complexation with carbon dioxide also stabilizes the transition state and reduces the reaction barrier. These results indicate that the CO 2 environment is likely to have a catalytic effect on combustion reactions, which needs to be included in kinetic combustion mechanisms in supercritical CO 2 .

Operation of chemical incinerator for disposal of legacy chemicals

International Nuclear Information System (INIS)

Singhal, R.K.; Basu, H.; Saha, S.; Pimple, M.V.; Naik, P.D.

2017-01-01

For safe disposal of age-old legacy and unused chemicals in BARC, Trombay, oil-fired chemical incinerator with a capacity of 20 kg h"-"1 for solid and liquid chemical is installed adjacent to trash incinerator near RSMS, Gamma Field. The Incinerator was supplied by M/s B. L. Engineering Works, Ahmedabad. Commission of the same at Trombay site was carried out, under the supervision of Civil Engineering (CED), Technical Services Division (TSD) and Analytical Chemistry Division (custodian of the facility)

Chemical Peels

Science.gov (United States)

... for Every Season How to Choose the Best Skin Care Products In This Section Dermatologic Surgery What is dermatologic ... for Every Season How to Choose the Best Skin Care Products Chemical Peels Uses for Chemical Peels Learn more ...

Efficient Regeneration of Physical and Chemical Solvents for CO₂ Capture

Energy Technology Data Exchange (ETDEWEB)

Tande, Brian [Univ. of North Dakota, Grand Forks, ND (United States); Seames, Wayne [Univ. of North Dakota, Grand Forks, ND (United States); Benson, Steve [Univ. of North Dakota, Grand Forks, ND (United States)

2013-12-01

The objective of this project was to evaluate the use of composite polymer membranes and porous membrane contactors to regenerate physical and chemical solvents for capture of carbon dioxide (CO₂) from synthesis gas or flue gas, with the goal of improving the energy efficiency of carbon capture. Both a chemical solvent (typical for a post-combustion capture of CO₂ from flue gas) and a physical solvent (typical for pre- combustion capture of CO₂ from syngas) were evaluated using two bench-scale test systems constructed for this project. For chemical solvents, polytetrafluoroethylene and polypropylene membranes were found to be able to strip CO₂ from a monoethanolamine (MEA) solution with high selectivity without significant degradation of the material. As expected, the regeneration temperature was the most significant parameter affecting the CO₂ flux through the membrane. Pore size was also found to be important, as pores larger than 5 microns lead to excessive pore wetting. For physical solvents, polydimethyl-siloxane (PDMS)-based membranes were found to have a higher CO₂ permeability than polyvinylalcohol (PVOH) based membranes, while also minimizing solvent loss. Overall, however, the recovery of CO₂ in these systems is low – less than 2% for both chemical and physical solvents – primarily due to the small surface area of the membrane test apparatus. To obtain the higher regeneration rates needed for this application, a much larger surface area would be needed. Further experiments using, for example, a hollow fiber membrane module could determine if this process could be commercially viable.

Advances in chemical physics

CERN Document Server

Rice, Stuart A

2012-01-01

The Advances in Chemical Physics series-the cutting edge of research in chemical physics The Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. This volume explores: Quantum Dynamical Resonances in Ch

Predicting Anatomical Therapeutic Chemical (ATC) Classification of Drugs by Integrating Chemical-Chemical Interactions and Similarities

Science.gov (United States)

Chen, Lei; Zeng, Wei-Ming; Cai, Yu-Dong; Feng, Kai-Yan; Chou, Kuo-Chen

2012-01-01

The Anatomical Therapeutic Chemical (ATC) classification system, recommended by the World Health Organization, categories drugs into different classes according to their therapeutic and chemical characteristics. For a set of query compounds, how can we identify which ATC-class (or classes) they belong to? It is an important and challenging problem because the information thus obtained would be quite useful for drug development and utilization. By hybridizing the informations of chemical-chemical interactions and chemical-chemical similarities, a novel method was developed for such purpose. It was observed by the jackknife test on a benchmark dataset of 3,883 drug compounds that the overall success rate achieved by the prediction method was about 73% in identifying the drugs among the following 14 main ATC-classes: (1) alimentary tract and metabolism; (2) blood and blood forming organs; (3) cardiovascular system; (4) dermatologicals; (5) genitourinary system and sex hormones; (6) systemic hormonal preparations, excluding sex hormones and insulins; (7) anti-infectives for systemic use; (8) antineoplastic and immunomodulating agents; (9) musculoskeletal system; (10) nervous system; (11) antiparasitic products, insecticides and repellents; (12) respiratory system; (13) sensory organs; (14) various. Such a success rate is substantially higher than 7% by the random guess. It has not escaped our notice that the current method can be straightforwardly extended to identify the drugs for their 2nd-level, 3rd-level, 4th-level, and 5th-level ATC-classifications once the statistically significant benchmark data are available for these lower levels. PMID:22514724

Alstom's development of advanced CFB based technologies for CO{sub 2} mitigation

Energy Technology Data Exchange (ETDEWEB)

Nsakala ya Nsakala; David G. Turek; Gregory N. Liljedahl; Herbert E. Andrus; John H. Chiu; Jean-Xavier Morin [Alstom Power Inc., Windsor, CT (United States)

2005-07-01

ALSTOM Power Inc. (ALSTOM) is actively working to develop advanced circulating fluidized bed (CFB) based technologies for the purpose of CO{sub 2} mitigation. Two of the more promising ideas currently being investigated at ALSTOM are the oxygen-fired CFB and chemical looping technologies. The oxygen-fired CFB is a near-term CO{sub 2} capture technology, which uses pure oxygen tempered with recirculated flue gas to combust the fuel. The oxygen for combustion may be supplied by a cryogenic air separation unit, or in the future by more efficient processes such as oxygen transport membrane. This produces a flue gas stream comprising mostly CO{sub 2} and water vapor. Simple condensation of most of the water vapor leaves a CO{sub 2}-rich product stream which can be simply compressed for sequestration or purified for use in enhanced oil recovery or enhanced coal bed methane. Chemical looping is a longer-term development path towards CO{sub 2} mitigation. In ALSTOM's processes, a regenerable solid carrier extracts oxygen from air and transports it for combustion or gasification of the fuel. The chemical looping combustion process produces a high CO{sub 2} flue gas stream (similar to the O{sub 2} fired CFB flue gas stream) and steam for a Rankine cycle. The chemical looping gasification process captures CO{sub 2} in a separate chemical loop and produces hydrogen-rich synthesis gas for use in IGCCs, fuel cells, or for other industrial uses. This paper discusses ALSTOM's latest test work in these areas and the technical, economic and environmental implications of these advanced CFB-based systems. These advanced power generation units can be built from proven fluid bed design features and systems. 6 refs., 15 figs., 6 tabs.

Hazardous Chemicals

Centers for Disease Control (CDC) Podcasts

2007-04-10

Chemicals are a part of our daily lives, providing many products and modern conveniences. With more than three decades of experience, The Centers for Disease Control and Prevention (CDC) has been in the forefront of efforts to protect and assess people's exposure to environmental and hazardous chemicals. This report provides information about hazardous chemicals and useful tips on how to protect you and your family from harmful exposure.  Created: 4/10/2007 by CDC National Center for Environmental Health.   Date Released: 4/13/2007.

Determination of (BTEX) of the gasoline's combustion in Ecuador

International Nuclear Information System (INIS)

Garcia, Nelson; Insuasti, Alicia

1998-01-01

The contents of benzene, toluene, ethyl benzene and xylenes (BTEX) were determined and quantified in the gasoline's combustion on an internal combustion engine. Gas chromatography with flame ionization detector were used for chemical determinations

Standard test methods for chemical and mass spectrometric analysis of nuclear-grade gadolinium oxide (Gd2O3) powder

CERN Document Server

American Society for Testing and Materials. Philadelphia

2006-01-01

1.1 These test methods cover procedures for the chemical and mass spectrometric analysis of nuclear-grade gadolinium oxide powders to determine compliance with specifications. 1.2 The analytical procedures appear in the following order: Sections Carbon by Direct CombustionThermal Conductivity C1408 Test Method for Carbon (Total) in Uranium Oxide Powders and Pellets By Direct Combustion-Infrared Detection Method Total Chlorine and Fluorine by Pyrohydrolysis Ion Selective Electrode C1502 Test Method for Determination of Total Chlorine and Fluorine in Uranium Dioxide and Gadolinium Oxide Loss of Weight on Ignition 7-13 Sulfur by CombustionIodometric Titration Impurity Elements by a Spark-Source Mass Spectrographic C761 Test Methods for Chemical, Mass Spectrometric, Spectrochemical,Nuclear, and Radiochemical Analysis of Uranium Hexafluoride C1287 Test Method for Determination of Impurities In Uranium Dioxide By Inductively Coupled Plasma Mass Spectrometry Gadolinium Content in Gadolinium Oxid...

Chemical Product Design

DEFF Research Database (Denmark)

Gani, Rafiqul

2004-01-01

This paper highlights for a class of chemical products, the design process, their design with respect to the important issues, the need for appropriate tools and finally, lists some of the challenges and opportunities for the process systems engineering (PSE)/computer-aided process engineering...... (CAPE) community. The chemical products considered belong to the following types: chemical/biochemical/agrochemical products, coatings and solvents, food (nutraceuticals), HIM (household, industrial and institutional), personal care, pharmaceuticals and drugs. The challenges and opportunities...... are highlighted in terms of the needs for multi-level modeling with emphasis on property models that are suitable for computer-aided applications, flexible solution strategies that are able to solve a large range of chemical product design problems and finally, a systems chemical product design framework...

1997 toxic chemical release inventory. Emergency Planning and Community Right-To-Know Act, Section 313

International Nuclear Information System (INIS)

Zaloudek, D.E.

1998-01-01

Two listed toxic chemicals were used at the Hanford Site above established activity thresholds: phosphoric acid and chlorine. Because total combined quantities of chlorine released, disposed, treated, recovered through recycle operations, co-combusted for energy recovery, and transferred to off-site locations for the purpose of recycle, energy recovery, treatment, and/or disposal, amounted to less than 500 pounds, the Hanford Site qualified for the alternate one million pound threshold for chlorine. Accordingly, this Toxic Chemical Release Inventory includes a Form A for chlorine, and a Form B for phosphoric acid

chemical kinetic study of nitrogen oxides formation in methane flameless combustion

International Nuclear Information System (INIS)

Alvarado T, Pedro N; Cadavid S, Francisco; Mondragon, P Fanor; Ruiz, Wilson

2009-01-01

The present paper deals with the nitrogen oxides formation in a flameless combustion process characterized for using air highly diluted and preheated at high temperatures. The combustion model used in this study was the one dimensional counterflow methane air diffusion flame. The NOx production rate analysis showed that the thermal and prompt mechanisms are the most important for the formation and consumption of NO under dilution conditions for the oxidant in N 2 and combustion products. These mechanisms are related since the starting reaction for NO formation (N2 molecular dissociation) belongs to the prompt mechanism while the NO formation is reported mainly for the thermal mechanism reactions. On the other hand, the NO - NO 2 equilibrium showed that the reaction rates are comparable to that obtained by the thermal and prompt mechanisms, but its global contribution to NO formation are almost insignificant due to the oxidation reaction with radicals HO 2 .

Exploring the chemical kinetics of partially oxidized intermediates by combining experiments, theory, and kinetic modeling.

Science.gov (United States)

Hoyermann, Karlheinz; Mauß, Fabian; Olzmann, Matthias; Welz, Oliver; Zeuch, Thomas

2017-07-19

Partially oxidized intermediates play a central role in combustion and atmospheric chemistry. In this perspective, we focus on the chemical kinetics of alkoxy radicals, peroxy radicals, and Criegee intermediates, which are key species in both combustion and atmospheric environments. These reactive intermediates feature a broad spectrum of chemical diversity. Their reactivity is central to our understanding of how volatile organic compounds are degraded in the atmosphere and converted into secondary organic aerosol. Moreover, they sensitively determine ignition timing in internal combustion engines. The intention of this perspective article is to provide the reader with information about the general mechanisms of reactions initiated by addition of atomic and molecular oxygen to alkyl radicals and ozone to alkenes. We will focus on critical branching points in the subsequent reaction mechanisms and discuss them from a consistent point of view. As a first example of our integrated approach, we will show how experiment, theory, and kinetic modeling have been successfully combined in the first infrared detection of Criegee intermediates during the gas phase ozonolysis. As a second example, we will examine the ignition timing of n-heptane/air mixtures at low and intermediate temperatures. Here, we present a reduced, fuel size independent kinetic model of the complex chemistry initiated by peroxy radicals that has been successfully applied to simulate standard n-heptane combustion experiments.

Land use planning and chemical sites. Summary report

DEFF Research Database (Denmark)

Grønberg, Carsten D.

2000-01-01

A methodology for land-use planning involving chemical sites has been developed for making decisions in local and regional administrations. The methodology treats land-use planning as a multi criteria decision and structures the planning process in sevensteps, where one can loop through the steps...... several times. Essential for the methodology is the specification of objectives setting the frame in which the alternatives are assessed and compared. The complete list of objectives includes the followingitems: safety and accidents, public distortion and health, environmental impact, cultural and natural...

Using chemical benchmarking to determine the persistence of chemicals in a Swedish lake.

Science.gov (United States)

Zou, Hongyan; Radke, Michael; Kierkegaard, Amelie; MacLeod, Matthew; McLachlan, Michael S

2015-02-03

It is challenging to measure the persistence of chemicals under field conditions. In this work, two approaches for measuring persistence in the field were compared: the chemical mass balance approach, and a novel chemical benchmarking approach. Ten pharmaceuticals, an X-ray contrast agent, and an artificial sweetener were studied in a Swedish lake. Acesulfame K was selected as a benchmark to quantify persistence using the chemical benchmarking approach. The 95% confidence intervals of the half-life for transformation in the lake system ranged from 780-5700 days for carbamazepine to benchmarking approach agreed well with those from the mass balance approach (1-21% difference), indicating that chemical benchmarking can be a valid and useful method to measure the persistence of chemicals under field conditions. Compared to the mass balance approach, the benchmarking approach partially or completely eliminates the need to quantify mass flow of chemicals, so it is particularly advantageous when the quantification of mass flow of chemicals is difficult. Furthermore, the benchmarking approach allows for ready comparison and ranking of the persistence of different chemicals.

Vulnerability assessment of chemical industry facilities in South Korea based on the chemical accident history

Science.gov (United States)

Heo, S.; Lee, W. K.; Jong-Ryeul, S.; Kim, M. I.

2016-12-01

The use of chemical compounds are keep increasing because of their use in manufacturing industry. Chemical accident is growing as the consequence of the chemical use increment. Devastating damages from chemical accidents are far enough to aware people's cautious about the risk of the chemical accident. In South Korea, Gumi Hydrofluoric acid leaking accident triggered the importance of risk management and emphasized the preventing the accident over the damage reducing process after the accident occurs. Gumi accident encouraged the government data base construction relate to the chemical accident. As the result of this effort Chemical Safety-Clearing-house (CSC) have started to record the chemical accident information and damages according to the Harmful Chemical Substance Control Act (HCSC). CSC provide details information about the chemical accidents from 2002 to present. The detail informations are including title of company, address, business type, accident dates, accident types, accident chemical compounds, human damages inside of the chemical industry facilities, human damage outside of the chemical industry facilities, financial damages inside of the chemical industry facilities, and financial damages outside of the chemical industry facilities, environmental damages and response to the chemical accident. Collected the chemical accident history of South Korea from 2002 to 2015 and provide the spatial information to the each accident records based on their address. With the spatial information, compute the data on ArcGIS for the spatial-temporal analysis. The spatial-temporal information of chemical accident is organized by the chemical accident types, damages, and damages on environment and conduct the spatial proximity with local community and environmental receptors. Find the chemical accident vulnerable area of South Korea from 2002 to 2015 and add the vulnerable area of total period to examine the historically vulnerable area from the chemical accident in

Screening of NiFe₂O₄ Nanoparticles as Oxygen Carrier in Chemical Looping Hydrogen Production

DEFF Research Database (Denmark)

Liu, Shuai; He, Fang; Huang, Zhen

2016-01-01

) methods were used to prepare NiFe2O4 oxygen carriers. Samples were characterized by X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), Brunauer-Emmett-Teller (BET) surface area measurement, as well as Barrett-Joyner-Halenda (BJH......The objective of this paper is to systematically investigate the influences of different preparation methods on the properties of NiFe2O4 nanoparticles as oxygen carrier in chemical looping hydrogen production (CLH). The solid state (SS), coprecipitation (CP), hydrothermal (HT), and sol-gel (SG...... gas (24% H2 + 24% CO + 12% CO2 + N2 balance), then reacted with steam to produce H2, and finally fully oxidized by air. The NiFe2O4 oxygen carrier prepared by the sol gel method showed the best capacity for hydrogen production and the highest recovery degree of lattice oxygen, in agreement...

Design of chemical plant

International Nuclear Information System (INIS)

Lee, Dong Il; Kim, Seung Jae; Yang, Jae Ho; Ryu, Hwa Won

1993-01-01

This book describes design of chemical plant, which includes chemical engineer and plan for chemical plant, development of chemical process, cost engineering pattern, design and process development, general plant construction plan, project engineering, foundation for economy on assets and depreciation, estimation for cost on capital investment and manufacturing cost, design with computers optimal design and method like fluid mechanics design chemical device and estimation for cost, such as dispatch of material and device writing on design report and appendixes.

Several perspectives on water-chemical cycles for nuclear power stations equipped with type VVER and RBMK reactors

International Nuclear Information System (INIS)

Mamet, A.P.; Mamet, V.A.; Pashevich, V.I.; Nazarenko, P.N.

1982-01-01

Water-chemical cycles for loops I and II of VVER reactors are discussed. These cycles are mixed ammonia-sodium with a variable concentration of boric acid and ammonia hydrazine with a pH factor of 9.1 +/- 0.1. New water-chemical cycles are considered for use in both existing and new nuclear power plants. Application of these new water-chemical cycles showed produce a significant improvement in operating conditions of nuclear power plants. Upon accumulation of sufficient operating experience with these cycles, it should be possible to raise the issue of revising applicable standard documentation

MEMS device for mass market gas and chemical sensors

Science.gov (United States)

Kinkade, Brian R.; Daly, James T.; Johnson, Edward A.

2000-08-01

Gas and chemical sensors are used in many applications. Industrial health and safety monitors allow companies to meet OSHA requirements by detecting harmful levels of toxic or combustible gases. Vehicle emissions are tested during annual inspections. Blood alcohol breathalizers are used by law enforcement. Refrigerant leak detection ensures that the Earth's ozone layer is not being compromised. Industrial combustion emissions are also monitored to minimize pollution. Heating and ventilation systems watch for high levels of carbon dioxide (CO2) to trigger an increase in fresh air exchange. Carbon monoxide detectors are used in homes to prevent poisoning from poor combustion ventilation. Anesthesia gases are monitored during a patients operation. The current economic reality is that two groups of gas sensor technologies are competing in two distinct existing market segments - affordable (less reliable) chemical reaction sensors for consumer markets and reliable (expensive) infrared (IR) spectroscopic sensors for industrial, laboratory, and medical instrumentation markets. Presently high volume mass-market applications are limited to CO detectros and on-board automotive emissions sensors. Due to reliability problems with electrochemical sensor-based CO detectors there is a hesitancy to apply these sensors in other high volume applications. Applications such as: natural gas leak detection, non-invasive blood glucose monitoring, home indoor air quality, personal/portable air quality monitors, home fire/burnt cooking detector, and home food spoilage detectors need a sensor that is a small, efficient, accurate, sensitive, reliable, and inexpensive. Connecting an array of these next generation gas sensors to wireless networks that are starting to proliferate today creates many other applications. Asthmatics could preview the air quality of their destinations as they venture out into the day. HVAC systems could determine if fresh air intake was actually better than the air

Soil chemical sensor and precision agricultural chemical delivery system and method

Science.gov (United States)

Colburn, Jr., John W.

1991-01-01

A real time soil chemical sensor and precision agricultural chemical delivery system includes a plurality of ground-engaging tools in association with individual soil sensors which measure soil chemical levels. The system includes the addition of a solvent which rapidly saturates the soil/tool interface to form a conductive solution of chemicals leached from the soil. A multivalent electrode, positioned within a multivalent frame of the ground-engaging tool, applies a voltage or impresses a current between the electrode and the tool frame. A real-time soil chemical sensor and controller senses the electrochemical reaction resulting from the application of the voltage or current to the leachate, measures it by resistivity methods, and compares it against pre-set resistivity levels for substances leached by the solvent. Still greater precision is obtained by calibrating for the secondary current impressed through solvent-less soil. The appropriate concentration is then found and the servo-controlled delivery system applies the appropriate amount of fertilizer or agricultural chemicals substantially in the location from which the soil measurement was taken.

Advances in chemical physics

CERN Document Server

Rice, Stuart A

2014-01-01

Advances in Chemical Physics is the only series of volumes available that explores the cutting edge of research in chemical physics. This is the only series of volumes available that presents the cutting edge of research in chemical physics.Includes contributions from experts in this field of research.Contains a representative cross-section of research that questions established thinking on chemical solutions.Structured with an editorial framework that makes the book an excellent supplement to an advanced graduate class in physical chemistry or chemical physics.

Thermo-economic evaluation and optimization of the thermo-chemical conversion of biomass into methanol

International Nuclear Information System (INIS)

Peduzzi, Emanuela; Tock, Laurence; Boissonnet, Guillaume; Maréchal, François

2013-01-01

In a carbon and resources constrained world, thermo-chemical conversion of lignocellulosic biomass into fuels and chemicals is regarded as a promising alternative to fossil resources derived products. Methanol is one potential product which can be used for the synthesis of various chemicals or as a fuel in fuel cells and internal combustion engines. This study focuses on the evaluation and optimization of the thermodynamic and economic performance of methanol production from biomass by applying process integration and optimization techniques. Results reveal the importance of the energy integration and in particular of the cogeneration of electricity for the efficient use of biomass. - Highlights: • A thermo-economic model for biomass conversion into methanol is developed. • Process integration and multi-objective optimization techniques are applied. • Results reveal the importance of energy integration for electricity co-generation

Environmental/chemical thesaurus

International Nuclear Information System (INIS)

Shriner, C.R.; Dailey, N.S.; Jordan, A.C.; Miller, K.C.; Owens, E.T.; Rickert, L.W.

1978-06-01

The Environmental/Chemical Thesaurus approaches scientific language control problems from a multidisciplinary view. The Environmental/Biomedical Terminology Index (EBTI) was used as a base for the present thesaurus. The Environmental/Chemical Thesaurus, funded by the Environmental Protection Agency, used as its source of new terms those major terms found in 13 Environmental Protection Agency data bases. The scope of this thesaurus includes not only environmental and biomedical sciences, but also the physical sciences with emphasis placed on chemistry. Specific chemical compounds are not included; only classes of chemicals are given. To adhere to this level of classification, drugs and pesticides are identified by class rather than by specific chemical name. An attempt was also made to expand the areas of sociology and economics. Terminology dealing with law, demography, and geography was expanded. Proper names of languages and races were excluded. Geographic terms were expanded to include proper names for oceans, continents, major lakes, rivers, and islands. Political divisions were added to allow for proper names of countries and states. With such a broad scope, terminology for specific sciences does not provide for indexing to the lowest levels in plant, animal, or chemical classifications

Environmental/chemical thesaurus

Energy Technology Data Exchange (ETDEWEB)

Shriner, C.R.; Dailey, N.S.; Jordan, A.C.; Miller, K.C.; Owens, E.T.; Rickert, L.W.

1978-06-01

The Environmental/Chemical Thesaurus approaches scientific language control problems from a multidisciplinary view. The Environmental/Biomedical Terminology Index (EBTI) was used as a base for the present thesaurus. The Environmental/Chemical Thesaurus, funded by the Environmental Protection Agency, used as its source of new terms those major terms found in 13 Environmental Protection Agency data bases. The scope of this thesaurus includes not only environmental and biomedical sciences, but also the physical sciences with emphasis placed on chemistry. Specific chemical compounds are not included; only classes of chemicals are given. To adhere to this level of classification, drugs and pesticides are identified by class rather than by specific chemical name. An attempt was also made to expand the areas of sociology and economics. Terminology dealing with law, demography, and geography was expanded. Proper names of languages and races were excluded. Geographic terms were expanded to include proper names for oceans, continents, major lakes, rivers, and islands. Political divisions were added to allow for proper names of countries and states. With such a broad scope, terminology for specific sciences does not provide for indexing to the lowest levels in plant, animal, or chemical classifications.

Survey of awareness about hazardous chemicals of residents living near chemical plants in South Korea.

Science.gov (United States)

Han, Don-Hee; Park, Min Soo

2018-02-10

With economic growth, the use of chemicals has continually increased, resulting in an increase of chemical accidents. Chemical accidents pose a life threat and can lead to many health problems among the residents living in close proximity to chemical plants. This study aimed to investigate the awareness of the residents living near chemical plants about hazardous chemicals, as well as to survey the awareness of workers who do not directly handle chemicals at chemical plants (WNHCs). To this end, a questionnaire survey was conducted among a total of 600 residents and 160 WNHCs. The questionnaire was composed of three items: awareness of chemical risk, awareness of countermeasures in chemical accidents, and imperious necessity of PPE (personal protective equipment). Statistical analysis of the data was performed with the Statistical Package for Social Sciences (SPSS) version 18.0. The results show that the government needs to complement the notification system of chemical risk for residents who live close to chemical plants. The highest priority of PPE which residents want to prepare for chemical accidents was respiratory protective equipment (RPE). They responded that, if necessary to purchase PPE, they could bear a portion of the expenses (up to US $30). This study provides basic data for the development of programs and policies on chemical safety relevant for the residents living in close proximity to chemical plants in South Korea.

Chemical Processes Related to Combustion in Fluidised Bed. Report for the period 2002-07-01 to 2004-06-30

Energy Technology Data Exchange (ETDEWEB)

Steenari, Britt-Marie; Lindqvist, Oliver [Chalmers University of Technology, Goeteborg (Sweden). Dep. of Environmental Inorganic Chemistry

2005-02-01

One part of the project was an investigation of the mechanism and kinetics of the absorption of potassium and cadmium in kaolin. Addition of kaolin has been suggested as a method to decrease problems like ash sintering, fouling and corrosion. The results showed that kaolin binds potassium effectively, especially if it is present as chloride or hydroxide. Reducing atmosphere and the presence of water vapour favours the absorption. The products are mainly silicates with low solubility. Cadmium is also absorbed by kaolin in a similar way. In the second part of the project, the chemical forms of some metals present in fly ash from combustion of MSW and bio fuels were studied. The most common Cd-compounds found were sulphate, oxide, chloride and silicate. It was also shown that Cd often is incorporated in calcium minerals, such as calcium silicates, CaO and CaC0{sub 3}, due to the fact that the ions Ca{sup 2+} and Cd{sup 2+} are almost similar in size and charge.

Chemical Technology Division annual technical report, 1993

Energy Technology Data Exchange (ETDEWEB)

Battles, J.E.; Myles, K.M.; Laidler, J.J.; Green, D.W.

1994-04-01

Chemical Technology (CMT) Division this period, conducted research and development in the following areas: advanced batteries and fuel cells; fluidized-bed combustion and coal-fired magnetohydrodynamics; treatment of hazardous waste and mixed hazardous/radioactive waste; reaction of nuclear waste glass and spent fuel under conditions expected for an unsaturated repository; separating and recovering transuranic elements, concentrating radioactive waste streams with advanced evaporators, and producing {sup 99}Mo from low-enriched uranium; recovering actinide from IFR core and blanket fuel in removing fission products from recycled fuel, and disposing removal of actinides in spent fuel from commercial water-cooled nuclear reactors; and physical chemistry of selected materials in environments simulating those of fission and fusion energy systems. The Division also conducts basic research in catalytic chemistry associated with molecular energy resources and novel ceramic precursors; materials chemistry of superconducting oxides, electrified metal/solution interfaces, molecular sieve structures, thin-film diamond surfaces, effluents from wood combustion, and molten silicates; and the geochemical processes involved in water-rock interactions. The Analytical Chemistry Laboratory in CMT also provides a broad range of analytical chemistry support.

Chemical Technology Division annual technical report, 1993

International Nuclear Information System (INIS)

Battles, J.E.; Myles, K.M.; Laidler, J.J.; Green, D.W.

1994-04-01

Chemical Technology (CMT) Division this period, conducted research and development in the following areas: advanced batteries and fuel cells; fluidized-bed combustion and coal-fired magnetohydrodynamics; treatment of hazardous waste and mixed hazardous/radioactive waste; reaction of nuclear waste glass and spent fuel under conditions expected for an unsaturated repository; separating and recovering transuranic elements, concentrating radioactive waste streams with advanced evaporators, and producing 99 Mo from low-enriched uranium; recovering actinide from IFR core and blanket fuel in removing fission products from recycled fuel, and disposing removal of actinides in spent fuel from commercial water-cooled nuclear reactors; and physical chemistry of selected materials in environments simulating those of fission and fusion energy systems. The Division also conducts basic research in catalytic chemistry associated with molecular energy resources and novel ceramic precursors; materials chemistry of superconducting oxides, electrified metal/solution interfaces, molecular sieve structures, thin-film diamond surfaces, effluents from wood combustion, and molten silicates; and the geochemical processes involved in water-rock interactions. The Analytical Chemistry Laboratory in CMT also provides a broad range of analytical chemistry support

Advances in chemical Physics

CERN Document Server

Rice, Stuart A

2011-01-01

The Advances in Chemical Physics series-the cutting edge of research in chemical physics The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series offers contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of che

Advances in chemical physics

CERN Document Server

Rice, Stuart A

2011-01-01

The Advances in Chemical Physics series-the cutting edge of research in chemical physics The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series offers contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of che

A comprehensive study of combustion products generated from pulverized peat combustion in the furnace of BKZ-210-140F steam boiler

Science.gov (United States)

Kuzmin, V. A.; Zagrai, I. A.

2017-11-01

The experimental and theoretical study of combustion products has been carried out for the conditions of pulverized peat combustion in BKZ-210-140F steam boiler. Sampling has been performed in different parts of the boiler system in order to determine the chemical composition, radiative properties and dispersity of slag and ash particles. The chemical composition of particles was determined using the method of x-ray fluorescence analysis. Shapes and sizes of the particles were determined by means of electron scanning microscopy. The histograms and the particle size distribution functions were computed. The calculation of components of the gaseous phase was based on the combustion characteristics of the original fuel. The software package of calculation of thermal radiation of combustion products from peat combustion was used to simulate emission characteristics (flux densities and emissivity factors). The dependence of emission characteristics on the temperature level and on the wavelength has been defined. On the basis of the analysis of emission characteristics the authors give some recommendations how to determine the temperature of peat combustion products in the furnace of BKZ-210-140F steam boiler. The findings can be used to measure the combustion products temperature, support temperature control in peat combustion and solve the problem of boiler furnace slagging.

User's manual of BISHOP. A Bi-Phase, Sodium-Hydrogen-Oxygen system, chemical equilibrium calculation program

International Nuclear Information System (INIS)

Okano, Yasushi; Yamaguchi, Akira

2001-07-01

In an event of sodium leakage in liquid metal fast breeder reactors, liquid sodium flows out of piping, and droplet combustion might occur under a certain environmental condition. The combustion heat and reaction products should be evaluated in the sodium fire analysis codes for investigating the influence of the sodium leak age and fire incident. In order to analyze the reaction heat and products, the multi-phase chemical equilibrium calculation program for a sodium, oxygen and hydrogen system has been developed. The developed numerical program is named BISHOP, which denotes 'Bi-Phase, Sodium-Hydrogen-Oxygen, Chemical Equilibrium Calculation Program'. The Gibbs free energy minimization method is used because of the following advantages. Chemical species are easily added and changed. A variety of thermodynamic states, such as isothermal and isentropic changes, can be dealt with in addition to constant temperature and pressure processes. In applying the free energy minimization method to solve the multi-phase sodium reaction system, three new numerical calculation techniques are developed. One is theoretical simplification of phase description in equation system, the other is to extend the Gibbs free energy minimization method to a multi-phase system, and the last is to establish the efficient search for the minimum value. The reaction heat and products at the equilibrium state can be evaluated from the initial conditions, such as temperature, pressure and reactants, using BISHOP. This report describes the thermochemical basis of chemical equilibrium calculations, the system of equations, simplification models, and the procedure to prepare input data and usage of BISHOP. (author)

Power generation from chemically cleaned coals: do environmental benefits of firing cleaner coal outweigh environmental burden of cleaning?

DEFF Research Database (Denmark)

Ryberg, Morten W.; Owsianiak, Mikolaj; Laurent, Alexis

2015-01-01

Power generation from high-ash coals is a niche technology for power generation, but coal cleaning is deemed necessary to avoid problems associated with low combustion efficiencies and to minimize environmental burdens associated with emissions of pollutants originating from ash. Here, chemical...... beneficiation of coals using acid and alkali–acid leaching procedures is evaluated as a potential coal cleaning technology employing life cycle assessment (LCA). Taking into account the environmental benefits from firing cleaner coal in pulverized coal power plants and the environmental burden of the cleaning...... itself, it is demonstrated that for a wide range of cleaning procedures and types of coal, chemical cleaning generally performs worse than combustion of the raw coals and physical cleaning using dense medium separation. These findings apply for many relevant impact categories, including climate change...

Combining chemical and electric-nuclear propulsion for high speed flight

International Nuclear Information System (INIS)

Murthy, S.N.B.; Froning, H.D.

1991-01-01

In the development of propulsion for the high speed (greater than Mach 8) regime of a SSTO vehicle, an alternative to a combination of scramjets and conventional chemical rockets is a nuclear system such as the dense plasma fusion engine operated with aneutronic fuels. Several variants are then possible in the manner of energizing the working fluid. An attempt has been made to compare the effectiveness of nuclear and scramjet engines with respect to weights and utilization of energy availability. It is shown that nuclear engines can be as effective as the optimized combustion engines, and will yield a considerable reduction in GTOW in earth-based missions, and have a special use in other planetary atmospheres in which combustion may be difficult but collection and processing of working fluid is feasible. 9 refs

Biofuels combustion.

Science.gov (United States)

Westbrook, Charles K

2013-01-01

This review describes major features of current research in renewable fuels derived from plants and from fatty acids. Recent and ongoing fundamental studies of biofuel molecular structure, oxidation reactions, and biofuel chemical properties are reviewed, in addition to combustion applications of biofuels in the major types of engines in which biofuels are used. Biofuels and their combustion are compared with combustion features of conventional petroleum-based fuels. Two main classes of biofuels are described, those consisting of small, primarily alcohol, fuels (particularly ethanol, n-butanol, and iso-pentanol) that are used primarily to replace or supplement gasoline and those derived from fatty acids and used primarily to replace or supplement conventional diesel fuels. Research efforts on so-called second- and third-generation biofuels are discussed briefly.

Microfluidic chemical reaction circuits

Science.gov (United States)

Lee, Chung-cheng [Irvine, CA; Sui, Guodong [Los Angeles, CA; Elizarov, Arkadij [Valley Village, CA; Kolb, Hartmuth C [Playa del Rey, CA; Huang, Jiang [San Jose, CA; Heath, James R [South Pasadena, CA; Phelps, Michael E [Los Angeles, CA; Quake, Stephen R [Stanford, CA; Tseng, Hsian-rong [Los Angeles, CA; Wyatt, Paul [Tipperary, IE; Daridon, Antoine [Mont-Sur-Rolle, CH

2012-06-26

New microfluidic devices, useful for carrying out chemical reactions, are provided. The devices are adapted for on-chip solvent exchange, chemical processes requiring multiple chemical reactions, and rapid concentration of reagents.

Accessing and using chemical databases

DEFF Research Database (Denmark)

Nikolov, Nikolai Georgiev; Pavlov, Todor; Niemelä, Jay Russell

2013-01-01

Computer-based representation of chemicals makes it possible to organize data in chemical databases-collections of chemical structures and associated properties. Databases are widely used wherever efficient processing of chemical information is needed, including search, storage, retrieval......, and dissemination. Structure and functionality of chemical databases are considered. The typical kinds of information found in a chemical database are considered-identification, structural, and associated data. Functionality of chemical databases is presented, with examples of search and access types. More details...... are included about the OASIS database and platform and the Danish (Q)SAR Database online. Various types of chemical database resources are discussed, together with a list of examples....

Combustion water purification techniques influence on OBT analysing using liquid scintillation counting method

International Nuclear Information System (INIS)

Varlam, C.; Vagner, I.; Faurescu, I.; Faurescu, D.

2015-01-01

In order to determine organically bound tritium (OBT) from environmental samples, these must be converted into water, measurable by liquid scintillation counting (LSC). For this purpose we conducted some experiments to determine OBT level of a grass sample collected from an uncontaminated area. The studied grass sample was combusted in a Parr bomb. However usual interfering phenomena were identified: color or chemical quench, chemiluminescence, overlap over tritium spectrum because of other radionuclides presence as impurities ( 14 C from organically compounds, 36 Cl as chloride and free chlorine, 40 K as potassium cations) and emulsion separation. So the purification of the combustion water before scintillation counting appeared to be essential. 5 purification methods were tested: distillation with chemical treatment (Na 2 O 2 and KMnO 4 ), lyophilization, chemical treatment (Na 2 O 2 and KMnO 4 ) followed by lyophilization, azeotropic distillation with toluene and treatment with a volcanic tuff followed by lyophilization. After the purification step each sample was measured and the OBT measured concentration, together with physico-chemical analysis of the water analyzed, revealed that the most efficient method applied for purification of the combustion water was the method using chemical treatment followed by lyophilization

A kinetic-theory approach for computing chemical-reaction rates in upper-atmosphere hypersonic flows.

Science.gov (United States)

Gallis, Michael A; Bond, Ryan B; Torczynski, John R

2009-09-28

Recently proposed molecular-level chemistry models that predict equilibrium and nonequilibrium reaction rates using only kinetic theory and fundamental molecular properties (i.e., no macroscopic reaction-rate information) are investigated for chemical reactions occurring in upper-atmosphere hypersonic flows. The new models are in good agreement with the measured Arrhenius rates for near-equilibrium conditions and with both measured rates and other theoretical models for far-from-equilibrium conditions. Additionally, the new models are applied to representative combustion and ionization reactions and are in good agreement with available measurements and theoretical models. Thus, molecular-level chemistry modeling provides an accurate method for predicting equilibrium and nonequilibrium chemical-reaction rates in gases.

Chemicals - potential substances for WMD creation, explosives and rocket fuel

International Nuclear Information System (INIS)

Vorozhtsova, M.D.; Khakimova, N.U.; Barotov, M.A.

2010-01-01

fluoropolymer (teflon) production, in metallurgy, during glass reprocessing and others. Chlorine trifluoride - ClF_3 - has wide range. It is applied for nuclear materials conversion, rocket fuel additive as well as for semiconductors production in military field. ClF_3 is colorless gas and has sweetish smell, toxic and strong oxidizer. In this article just some chemicals of CHW production are presented. Chemicals are also potential components of strong explosives. Explosives are known as: cyclonite, octogen, triamino trinitrobenzol, solid oxidant (for example, ammonium perchlorate) and others. Chemicals are widely used in rocket fuel production: combustible chemicals; solid and liquid oxidants; binding polymers; other additives. Solid fuel - admixture of many chemicals and connecting components and usually consist from oxidant and de oxidizer. Liquid fuel - also admixture of different liquid chemicals. Usually for rocket fuel NH_4ClO_4 is widely used, hydrazine, hydrides monomethyl, aluminium powder, AlH_3, nitrogen oxide, nitric acids. Some words about heavy water - D_2O, which is moderator in nuclear reactors, ensures continuous nuclear chain reaction with use of natural uranium. D_2O - colorless liquid, external view doesn't differ from H_2O and not radioactive. Its density is 10% more than H_2O. Thus, in this article the chemical substances are presented which are used for WMD, explosives and rocket fuel production. That's why control and exact identification of these substances is guarantee of weapons of mass destruction (WMD) non-proliferation.

Mapping Global Flows of Chemicals: From Fossil Fuel Feedstocks to Chemical Products.

Science.gov (United States)

Levi, Peter G; Cullen, Jonathan M

2018-02-20

Chemical products are ubiquitous in modern society. The chemical sector is the largest industrial energy consumer and the third largest industrial emitter of carbon dioxide. The current portfolio of mitigation options for the chemical sector emphasizes upstream "supply side" solutions, whereas downstream mitigation options, such as material efficiency, are given comparatively short shrift. Key reasons for this are the scarcity of data on the sector's material flows, and the highly intertwined nature of its complex supply chains. We provide the most up to date, comprehensive and transparent data set available publicly, on virgin production routes in the chemical sector: from fossil fuel feedstocks to chemical products. We map global mass flows for the year 2013 through a complex network of transformation processes, and by taking account of secondary reactants and by-products, we maintain a full mass balance throughout. The resulting data set partially addresses the dearth of publicly available information on the chemical sector's supply chain, and can be used to prioritise downstream mitigation options.

Chemical warfare agents.

Science.gov (United States)

Kuca, Kamil; Pohanka, Miroslav

2010-01-01

Chemical warfare agents are compounds of different chemical structures. Simple molecules such as chlorine as well as complex structures such as ricin belong to this group. Nerve agents, vesicants, incapacitating agents, blood agents, lung-damaging agents, riot-control agents and several toxins are among chemical warfare agents. Although the use of these compounds is strictly prohibited, the possible misuse by terrorist groups is a reality nowadays. Owing to this fact, knowledge of the basic properties of these substances is of a high importance. This chapter briefly introduces the separate groups of chemical warfare agents together with their members and the potential therapy that should be applied in case someone is intoxicated by these agents.

Computer simulation of chemical nucleation

International Nuclear Information System (INIS)

Turner, J.S.

1979-01-01

The problem of nucleation at chemical instabilities is investigated by means of microscopic computer simulation. The first-order transition of interest involves a new kind of nucleation arising from chemical transformations rather than physical forces. Here it is the chemical state of matter, and not matter itself, which is spatially localized to form the nucleus for transition between different chemical states. First, the concepts of chemical instability, nonequilibrium phase transition, and dissipative structure are reviewed briefly. Then recently developed methods of reactive molecular dynamics are used to study chemical nucleation in a simple model chemical reactions. Finally, the connection of these studies to nucleation and condensation processes involving physical and chemical interactions is explored. (orig.)

Emission of nitrous oxide during combustion of organic fuels

Energy Technology Data Exchange (ETDEWEB)

Kotler, V.R.; Gol' dberg, A.S.

1990-11-01

Analyzes formation of nitrogen oxides during combustion of coal, natural gas and mazout: chemical reactions that lead to formation of nitrous oxide during coal combustion, reaction kinetics and reaction yields, factors that influence emission of nitrogen oxides from a furnace, factors that influence formation of nitrous oxide (temperature effects, air excess ratio, coal burnout degree, etc.), effects of fuel type and its chemical composition, effects of flue gas desulfurization and denitrification methods on nitrous oxide yield. Analyses show that yield of nitrous oxide is low and does not exceed 5 cm{sup 3}/m{sup 3} flue gas (0.0005%). However chemical reactions of nitrogen oxides, sulfur dioxide and water vapor in the atmosphere are said to form additional quantities of nitrous oxide which negatively influence the ozone layer. 4 refs.

Database proton NMR chemical shifts for RNA signal assignment and validation

Energy Technology Data Exchange (ETDEWEB)

Barton, Shawn; Heng Xiao [University of Maryland, Baltimore County, Howard Hughes Medical Institute (United States); Johnson, Bruce A., E-mail: bruce@onemoonscientific.com [University of Maryland, Baltimore County, Department of Chemistry and Biochemistry (United States); Summers, Michael F., E-mail: summers@hhmi.umbc.edu [University of Maryland, Baltimore County, Howard Hughes Medical Institute (United States)

2013-01-15

The Biological Magnetic Resonance Data Bank contains NMR chemical shift depositions for 132 RNAs and RNA-containing complexes. We have analyzed the {sup 1}H NMR chemical shifts reported for non-exchangeable protons of residues that reside within A-form helical regions of these RNAs. The analysis focused on the central base pair within a stretch of three adjacent base pairs (BP triplets), and included both Watson-Crick (WC; G:C, A:U) and G:U wobble pairs. Chemical shift values were included for all 4{sup 3} possible WC-BP triplets, as well as 137 additional triplets that contain one or more G:U wobbles. Sequence-dependent chemical shift correlations were identified, including correlations involving terminating base pairs within the triplets and canonical and non-canonical structures adjacent to the BP triplets (i.e. bulges, loops, WC and non-WC BPs), despite the fact that the NMR data were obtained under different conditions of pH, buffer, ionic strength, and temperature. A computer program (RNAShifts) was developed that enables convenient comparison of RNA {sup 1}H NMR assignments with database predictions, which should facilitate future signal assignment/validation efforts and enable rapid identification of non-canonical RNA structures and RNA-ligand/protein interaction sites.

Book of abstracts Chemical Engineering: IV All-Russian Conference on chemical engineering, All-Russian Youth Conference on chemical engineering, All-Russian school on chemical engineering for young scientists and specialists. Engineering of polymers and composite materials. Catalysis in chemical engineering

International Nuclear Information System (INIS)

Zakhodyaeva, Yu.A.; Belova, V.V.

2012-01-01

In the given volume of abstracts of the IV All-Russian Conference on chemical engineering, All-Russian Youth Conference on chemical engineering, All-Russian school on chemical engineering for young scientists and specialists (Moscow, March 18-23, 2012) there are the abstracts of the reports concerning polymer and composite materials technology as well as catalysis in chemical engineering. The abstracts deal with state-of-the-art and future development of theoretical and experimental investigations as well as with experience in practical realization of development works in the field of chemical engineering and relative areas [ru

Nitrogenous air pollutants: Chemical and biological implications

International Nuclear Information System (INIS)

Grosjean, D.

1979-01-01

Theoretical and experimental studies on the health effects and chemistry of gaseous and particulate nitrogenous air pollutants are presented. Specific topics include Fourier transform infrared studies of nitrogenous compounds, the mechanism of peroxynitric acid formation, N-nitroso compounds in the air, the chemical transformations of nitrogen oxides during the sampling of combustion products, the atmospheric chemistry of peroxy nitrates, and the effects of nitrogen dioxide on lung metabolism. Attention is also given to the interaction of nitrogen oxides and aromatic hydrocarbons under simulated atmospheric conditions, the characterization of particulate amines, the role of ammonia in atmospheric aerosol chemistry, the relationship between sulfates and nitrates and tropospheric measurements of nitric acid vapor and particulate nitrates

3-D simulation of soot formation in a direct-injection diesel engine based on a comprehensive chemical mechanism and method of moments

Science.gov (United States)

Zhong, Bei-Jing; Dang, Shuai; Song, Ya-Na; Gong, Jing-Song

2012-02-01

Here, we propose both a comprehensive chemical mechanism and a reduced mechanism for a three-dimensional combustion simulation, describing the formation of polycyclic aromatic hydrocarbons (PAHs), in a direct-injection diesel engine. A soot model based on the reduced mechanism and a method of moments is also presented. The turbulent diffusion flame and PAH formation in the diesel engine were modelled using the reduced mechanism based on the detailed mechanism using a fixed wall temperature as a boundary condition. The spatial distribution of PAH concentrations and the characteristic parameters for soot formation in the engine cylinder were obtained by coupling a detailed chemical kinetic model with the three-dimensional computational fluid dynamic (CFD) model. Comparison of the simulated results with limited experimental data shows that the chemical mechanisms and soot model are realistic and correctly describe the basic physics of diesel combustion but require further development to improve their accuracy.

Global chemical composition of ambient fine particulate matter for exposure assessment.

Science.gov (United States)

Philip, Sajeev; Martin, Randall V; van Donkelaar, Aaron; Lo, Jason Wai-Ho; Wang, Yuxuan; Chen, Dan; Zhang, Lin; Kasibhatla, Prasad S; Wang, Siwen; Zhang, Qiang; Lu, Zifeng; Streets, David G; Bittman, Shabtai; Macdonald, Douglas J

2014-11-18

Epidemiologic and health impact studies are inhibited by the paucity of global, long-term measurements of the chemical composition of fine particulate matter. We inferred PM2.5 chemical composition at 0.1° × 0.1° spatial resolution for 2004-2008 by combining aerosol optical depth retrieved from the MODIS and MISR satellite instruments, with coincident profile and composition information from the GEOS-Chem global chemical transport model. Evaluation of the satellite-model PM2.5 composition data set with North American in situ measurements indicated significant spatial agreement for secondary inorganic aerosol, particulate organic mass, black carbon, mineral dust, and sea salt. We found that global population-weighted PM2.5 concentrations were dominated by particulate organic mass (11.9 ± 7.3 μg/m(3)), secondary inorganic aerosol (11.1 ± 5.0 μg/m(3)), and mineral dust (11.1 ± 7.9 μg/m(3)). Secondary inorganic PM2.5 concentrations exceeded 30 μg/m(3) over East China. Sensitivity simulations suggested that population-weighted ambient PM2.5 from biofuel burning (11 μg/m(3)) could be almost as large as from fossil fuel combustion sources (17 μg/m(3)). These estimates offer information about global population exposure to the chemical components and sources of PM2.5.

Synthesis of nanocrystalline Gd doped ceria by combustion technique

DEFF Research Database (Denmark)

Jadhav, L. D.; Chourashiya, M. G.; Subhedar, K. M.

2009-01-01

chemical method of combustion where in the combustion of precursors results in the formation of nanoparticles relatively at lower processing temperature. The thermogravimetric study was carried out to understand the ignition temperature and optimize the fuel-to-oxidant ratio. The successful synthesis...

Devices for collecting chemical compounds

Science.gov (United States)

Scott, Jill R; Groenewold, Gary S

2013-12-24

A device for sampling chemical compounds from fixed surfaces and related methods are disclosed. The device may include a vacuum source, a chamber and a sorbent material. The device may utilize vacuum extraction to volatilize the chemical compounds from a fixed surface so that they may be sorbed by the sorbent material. The sorbent material may then be analyzed using conventional thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) instrumentation to determine presence of the chemical compounds. The methods may include detecting release and presence of one or more chemical compounds and determining the efficacy of decontamination. The device may be useful in collection and analysis of a variety of chemical compounds, such as residual chemical warfare agents, chemical attribution signatures and toxic industrial chemicals.

Chemical bond fundamental aspects of chemical bonding

CERN Document Server

Frenking, Gernot

2014-01-01

This is the perfect complement to ""Chemical Bonding - Across the Periodic Table"" by the same editors, who are two of the top scientists working on this topic, each with extensive experience and important connections within the community. The resulting book is a unique overview of the different approaches used for describing a chemical bond, including molecular-orbital based, valence-bond based, ELF, AIM and density-functional based methods. It takes into account the many developments that have taken place in the field over the past few decades due to the rapid advances in quantum chemica

Endocrine Disrupting Chemicals (EDCs)

Science.gov (United States)

... Center Pacientes y Cuidadores Hormones and Health The Endocrine System Hormones Endocrine Disrupting Chemicals (EDCs) Steroid and Hormone ... Hormones and Health › Endocrine Disrupting Chemicals (EDCs) The Endocrine System Hormones Endocrine Disrupting Chemicals (EDCs) EDCs Myth vs. ...

Study relating to the physico-chemical behaviour of heavy water in nuclear reactors

International Nuclear Information System (INIS)

Chenouard, J.; Dirian, G.; Roth, E.; Vignet, P.; Platzer, R.

1959-01-01

Chemical and isotope pollution, and radiolytic decomposition are the two most important ways in which heavy water becomes degraded in nuclear reactors. Chemical pollution has led to the creation of ion exchange purification loops specially designed for reactors: the report contains a description in detail of the application of this purification method in CEA research reactors, including the analysis required, results obtained, and their interpretation. The intelligence obtained on radiolytic decomposition with the same facilities is also discussed, as well as the recombination apparatus and control equipment utilized. Finally, investigation to date in the CEA on recombination circuits for power reactors is also discussed. (author) [fr

Gradual combustion - method for nitrogen oxide suppression during brown coal combustion

Energy Technology Data Exchange (ETDEWEB)

Kotler, V.P.; Verzakov, V.N.; Lobov, T.V.

1990-10-01

Discusses combustion of brown coal in BKZ-500-140-1 boilers and factors that influence emission of nitrogen oxides. Temperature distribution in the furnace was evaluated. Effects of burner position, burner number and burner type as well as air excess ratio on chemical reactions during brown coal combustion, formation of nitrogen oxides and their emission were comparatively evaluated. Analyses showed that by optimum arrangement of burners and selecting the optimum air excess ratio a part of nitrogen oxides formed during the initial phase of combustion was reduced to molecular nitrogen in the second phase. On the basis of evaluations the following recommendations for furnace design are made: use of straight-flow burners characterized by a reduced mixing ratio with secondary air, parallel arrangement of burners which guarantees mixing of the combustion products from the burners with stable and unstable combustion (products of incomplete coal combustion), reducing the air excess ratio to below 1.0. 5 refs.

Chemical Weapons Convention

National Research Council Canada - National Science Library

1997-01-01

On April 29, 1997, the Convention on the Prohibition of the Development, Production, Stockpiling, and Use of Chemical Weapons and on Their Destruction, known as the Chemical Weapons Convention (CWC...

Computing Equilibrium Chemical Compositions

Science.gov (United States)

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.

77 FR 74685 - Chemical Facility Anti-Terrorism Standards (CFATS) Chemical-Terrorism Vulnerability Information...

Science.gov (United States)

2012-12-17

... DEPARTMENT OF HOMELAND SECURITY [Docket No. DHS-2012-0057] Chemical Facility Anti-Terrorism Standards (CFATS) Chemical- Terrorism Vulnerability Information (CVI) AGENCY: National Protection and...: Comments that include trade secrets, confidential commercial or financial information, Chemical-terrorism...

Islamic State and Chemical Weapons

Directory of Open Access Journals (Sweden)

Lukáš Rafay

2016-09-01

Full Text Available The article deals with topic of Islamic State and chemical weapons. The issue is analysed in three dimensions: origin of used chemical weapons and possibility of independent production; known chemical attacks and tactical regularities in their execution; and traits of future chemical terrorist attacks. By providing a thorough examination of the problem, the article aims at predicting the future development of the group’s chemical program as well as describing any prospective chemical terrorist attacks in Europe

Chemical kinetics of gas reactions

CERN Document Server

Kondrat'Ev, V N

2013-01-01

Chemical Kinetics of Gas Reactions explores the advances in gas kinetics and thermal, photochemical, electrical discharge, and radiation chemical reactions. This book is composed of 10 chapters, and begins with the presentation of general kinetic rules for simple and complex chemical reactions. The next chapters deal with the experimental methods for evaluating chemical reaction mechanisms and some theories of elementary chemical processes. These topics are followed by discussions on certain class of chemical reactions, including unimolecular, bimolecular, and termolecular reactions. The rema

Coupling chemical and biological catalysis: a flexible paradigm for producing biobased chemicals.

Science.gov (United States)

Schwartz, Thomas J; Shanks, Brent H; Dumesic, James A

2016-04-01

Advances in metabolic engineering have allowed for the development of new biological catalysts capable of selectively de-functionalizing biomass to yield platform molecules that can be upgraded to biobased chemicals using high efficiency continuous processing allowed by heterogeneous chemical catalysis. Coupling these disciplines overcomes the difficulties of selectively activating COH bonds by heterogeneous chemical catalysis and producing petroleum analogues by biological catalysis. We show that carboxylic acids, pyrones, and alcohols are highly flexible platforms that can be used to produce biobased chemicals by this approach. More generally, we suggest that molecules with three distinct functionalities may represent a practical upper limit on the extent of functionality present in the platform molecules that serve as the bridge between biological and chemical catalysis. Copyright © 2016 Elsevier Ltd. All rights reserved.

Supersonic Combustion of Hydrogen Jets System in Hypersonic Stream

International Nuclear Information System (INIS)

Zhapbasbaev, U.K.; Makashev, E.P.

2003-01-01

The data of calculated theoretical investigations of diffusive combustion of plane supersonic hydrogen jets in hypersonic stream received with Navier-Stokes parabola equations closed by one-para metrical (k-l) model of turbulence and multiply staged mechanism of hydrogen oxidation are given. Combustion mechanisms depending on the operating parameters are discussing. The influences of air stream composition and ways off fuel feed to the length of ignition delay and level quantity of hydrogen bum-out have been defined. The calculated theoretical results of investigations permit to make the next conclusions: 1. The diffusive combustion of the system of plane supersonic hydrogen jets in hypersonic flow happens in the cellular structures with alternation zones of intensive running of chemical reactions with their inhibition zones. 2. Gas dynamic and heat Mach waves cause a large - scale viscous formation intensifying mixing of fuel with oxidizer. 3. The system ignition of plane supersonic hydrogen jets in hypersonic airy co-flow happens with the formation of normal flame front of hydrogen airy mixture with transition to the diffusive combustion. 4. The presence of active particles in the flow composition initiates the ignition of hydrogen - airy mixture, provides the intensive running of chemical reactions and shortens the length of ignition delay. 5. The supersonic combustion of hydrogel-airy mixture is characterized by two zones: the intensive chemical reactions with an active energy heat release is occurring in the first zone and in the second - a slow hydrogen combustion limited by the mixing of fuel with oxidizer. (author)

78 FR 16698 - Chemical Facility Anti-Terrorism Standards (CFATS) Chemical-Terrorism Vulnerability Information...

Science.gov (United States)

2013-03-18

... DEPARTMENT OF HOMELAND SECURITY [Docket No. DHS-2012-0057] Chemical Facility Anti-Terrorism Standards (CFATS) Chemical- Terrorism Vulnerability Information (CVI) AGENCY: National Protection and... notice is also soliciting comments concerning the Information Collection Request, Chemical Facility Anti...

Chemical evolutionary games.

Science.gov (United States)

Aristotelous, Andreas C; Durrett, Richard

2014-05-01

Inspired by the use of hybrid cellular automata in modeling cancer, we introduce a generalization of evolutionary games in which cells produce and absorb chemicals, and the chemical concentrations dictate the death rates of cells and their fitnesses. Our long term aim is to understand how the details of the interactions in a system with n species and m chemicals translate into the qualitative behavior of the system. Here, we study two simple 2×2 games with two chemicals and revisit the two and three species versions of the one chemical colicin system studied earlier by Durrett and Levin (1997). We find that in the 2×2 examples, the behavior of our new spatial model can be predicted from that of the mean field differential equation using ideas of Durrett and Levin (1994). However, in the three species colicin model, the system with diffusion does not have the coexistence which occurs in the lattices model in which sites interact with only their nearest neighbors. Copyright © 2014 Elsevier Inc. All rights reserved.

Sampling and chemical analysis of smoke gas components from the SP Industry Calorimeter

Energy Technology Data Exchange (ETDEWEB)

Maansson, M.; Blomqvist, P.; Isaksson, I.; Rosell, L.

1995-12-31

This report describes the sampling and chemical analyses of smoke gas components for combustion performed in the SP Industry Calorimeter, where continuous measurements of oxygen, carbon dioxide and carbon monoxide are an integrated part of the Calorimeter system. On-line measurements of nitrogen oxides and total amounts of unburnt hydrocarbons were performed. Hydrogen cyanide, hydrogen chloride and ammonia in the smoke were sampled and absorbed in impinger bottles and subsequently analyzed using wet chemical techniques. An adsorbent sampling system was designed to allow the identification and quantitative analysis of individual organic compounds in the smoke. Gas chromatography was utilized with a mass spectrometric detector for the identification and a FID for quantification of the total amounts as well as individual components. A procedure for cleaning the smoke gas duct in between the combustion experiments was designed and found to be effective. The materials studied were Nylon 66, polypropylene, polystyrene (with and without fire retardant), PVC, and chlorobenzene. A total of 19 large-scale tests were carried out. The mass of sample burnt ranged from 20 kg to 125 kg in an experiment. 14 refs, 11 tabs

Design and Activation of a LOX/GH Chemical Steam Generator

Science.gov (United States)

Saunders, G. P.; Mulkey, C. A.; Taylor, S. A.

2009-01-01

The purpose of this paper is to give a detailed description of the design and activation of the LOX/GH fueled chemical steam generator installed in Cell 2 of the E3 test facility at Stennis Space Center, MS (SSC). The steam generator uses a liquid oxygen oxidizer with gaseous hydrogen fuel. The combustion products are then quenched with water to create steam at pressures from 150 to 450 psig at temperatures from 350 to 750 deg F (from saturation to piping temperature limits).

THE USE OF CHEMICALS AS PLANT REGULATORS. AGRICULTURAL CHEMICALS TECHNOLOGY, NUMBER 8.

Science.gov (United States)

Ohio State Univ., Columbus. Center for Vocational and Technical Education.

ONE OF A SERIES DESIGNED TO ASSIST TEACHERS IN PREPARING POST-SECONDARY STUDENTS FOR AGRICULTURAL CHEMICAL OCCUPATIONS, THIS MODULE IS SPECIFICALLY CONCERNED WITH CHEMICALS AS PLANT REGULATORS. IT WAS DEVELOPED BY A NATIONAL TASK FORCE ON THE BASIS OF DATA FROM STATE STUDIES. SECTIONS INCLUDE -- (1) CHEMICALS AS MODIFIERS OF PLANT GROWTH, (2)…

Modeling and simulating combustion and generation of NOx

International Nuclear Information System (INIS)

Lazaroiu, Gheorghe

2007-01-01

This paper deals with the modeling and simulation of combustion processes and generation of NO x in a combustion chamber and boiler, with supplementary combustion in a gas turbine installation. The fuel burned in the combustion chamber was rich gas with a chemical composition more complex than natural gas. Pitcoal was used in the regenerative boiler. From the resulting combustion products, 17 compounds were retained, including nitrogen and sulphur compounds. Using the developed model, the simulation resulted in excess air for a temperature imposed at the combustion chamber exhaust. These simulations made it possible to determine the concentrations of combustion compounds with a variation in excess combustion. (author)

Influences of chemical and non-chemical stressors on childhood obesity

Science.gov (United States)

Background/Aim: Children are exposed to diverse chemical and non-chemical stressors in their built, natural, and social environments; and these are thought to contribute to their health and well-being during each developmental stage throughout life. Here we focus on growing evide...

Chemicals Industry Vision

Energy Technology Data Exchange (ETDEWEB)

none,

1996-12-01

Chemical industry leaders articulated a long-term vision for the industry, its markets, and its technology in the groundbreaking 1996 document Technology Vision 2020 - The U.S. Chemical Industry. (PDF 310 KB).

HF/DF chemical labs

International Nuclear Information System (INIS)

Meinzer, R.A.

1987-01-01

This paper provides the essential details to understand and design HF/DF and related types of chemical lasers. The basic operation of the HF/DF chemical laser is described. The details of the excitation chemistry are presented and the pertinent laser physics is described. A description of the various laser components is given and the analytical models for the HF/DF chemical laser are discussed. A brief description of the chain reaction HF/DF chemical laser is offered

CloudFlame: Cyberinfrastructure for combustion research

KAUST Repository

Goteng, Gokop; Nettyam, Naveena; Sarathy, Mani

2013-01-01

Combustion experiments and chemical kinetics simulations generate huge data that is computationally and data intensive. A cloud-based cyber infrastructure known as Cloud Flame is implemented to improve the computational efficiency, scalability

Combustion of diesel fuel from a toxicological perspective. I. Origin of incomplete combustion products.

Science.gov (United States)

Scheepers, P T; Bos, R P

1992-01-01

Since the use of diesel engines is still increasing, the contribution of their incomplete combustion products to air pollution is becoming ever more important. The presence of irritating and genotoxic substances in both the gas phase and the particulate phase constituents is considered to have significant health implications. The quantity of soot particles and the particle-associated organics emitted from the tail pipe of a diesel-powered vehicle depend primarily on the engine type and combustion conditions but also on fuel properties. The quantity of soot particles in the emissions is determined by the balance between the rate of formation and subsequent oxidation. Organics are absorbed onto carbon cores in the cylinder, in the exhaust system, in the atmosphere and even on the filter during sample collection. Diesel fuel contains polycyclic aromatic hydrocarbons (PAHs) and some alkyl derivatives. Both groups of compounds may survive the combustion process. PAHs are formed by the combustion of crankcase oil or may be resuspended from engine and/or exhaust deposits. The conversion of parent PAHs to oxygenated and nitrated PAHs in the combustion chamber or in the exhaust system is related to the vast amount of excess combustion air that is supplied to the engine and the high combustion temperature. Whether the occurrence of these derivatives is characteristic for the composition of diesel engine exhaust remains to be ascertained. After the emission of the particles, their properties may change because of atmospheric processes such as aging and resuspension. The particle-associated organics may also be subject to (photo)chemical conversions or the components may change during sampling and analysis. Measurement of emissions of incomplete combustion products as determined on a chassis dynamometer provides knowledge of the chemical composition of the particle-associated organics. This knowledge is useful as a basis for a toxicological evaluation of the health hazards of

Methodology for the physical and chemical exergetic analysis of steam boilers

International Nuclear Information System (INIS)

Ohijeagbon, Idehai O.; Waheed, M. Adekojo; Jekayinfa, Simeon O.