Achievement report for fiscal 1993 on research under Sunshine Program. Research on direct liquefaction reaction of coal; 1993 nendo sekitan no chokusetsu ekika hanno ni kansuru kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1994-03-01

The reaction velocity constant of coal or the distribution of products in a high-pressure hydrocracking process of coal are found not to be affected by the temperature rise rate. The liquefaction of coal using CO and water is analyzed using a high-pressure differential thermal analyzer. The hydrogen gas generated during the water gas reaction reacts with CO for the formation of alcohols, carbonic acid, etc. The reaction rate is found to be higher when the specimen contains more oxygen. When coals greatly different from each other in terms of thermolytic reactivity, caking property, and intersolubility with medium oils are mixed, synergistic effects are exhibited, positive when active hydrogen supply is abundant and negative when it is short. In the case of the Hokkaido coal which contains 73.0-87.4% carbon, the grain diameter does not affect the liquefaction rate when the coal is crushed to the 48-mesh size approximately. Reaction velocity in direct liquefaction does not relate to hydrogen pressure. Asphaltenes in coal liquefaction are produced at the beginning of reaction, to be reduced in molecular weight due to cleavage of methylene crosslinks with the progress of reaction. Studies are conducted in a 0.1t/d-capable bench plant about liquefaction reaction characteristics and coal liquid properties, and chemical structures. (NEDO)

Composition of hydrogenation products of Borodino brown coal

Energy Technology Data Exchange (ETDEWEB)

M.A. Gyul' malieva; A.S. Maloletnev; G.A. Kalabin; A.M. Gyul' maliev [Institute for Fossil Fuels, Moscow (Russian Federation)

2008-02-15

The composition of liquid products of hydrogenation of brown coal from the Borodino deposit was determined by means of {sup 13}C NMR spectroscopy and chemical thermodynamics methods. It was shown that the group composition of the liquid hydrogenation products at thermodynamic equilibrium is predictable from the elemental composition of the organic matter of parent coal. 9 refs., 5 figs., 6 tabs.

Effect of sulfur or hydrogen sulfide on initial stage of coal liquefaction in tetralin; Sekitan ekika shoki katei ni okeru io to ryuka suiso no hatasu yakuwari

Energy Technology Data Exchange (ETDEWEB)

Nakada, M. [Government Industrial Research Institute, Kyushu, Saga (Japan)

1996-10-28

It is well known that the solubilization of coal can be accelerated by adding sulfur or hydrogen sulfide during direct liquefaction of difficult coals. From the studies of authors on the coal liquefaction under the conditions at rather low temperatures between 300 and 400{degree}C, liquefaction products with high quality can be obtained by suppressing the aromatization of naphthene rings, but it was a problem that the reaction rate is slow. For improving this point, results obtained by changing solvents have been reported. In this study, to accelerate the liquefaction reaction, Illinois No.6 coal was liquefied in tetralin at temperature range from 300 to 400{degree}C by adding a given amount of sulfur or hydrogen sulfide at the initial stage of liquefaction. The addition of sulfur or hydrogen sulfide provided an acceleration effect of liquefaction reaction at temperature range between 300 and 400{degree}C. The addition of sulfur or hydrogen sulfide at 400{degree}C increased the oil products. At 370 and 400{degree}C, the liquid yield by adding sulfur was slightly higher than that by adding hydrogen sulfide, unexpectedly. The effects of sulfur and hydrogen sulfide were reversed when increasing the hydrogen pressure. 5 figs., 1 tab.

Catalytic activity of pyrite for coal liquefaction reaction; Tennen pyrite no shokubai seino ni kansuru kento

Energy Technology Data Exchange (ETDEWEB)

Hirano, K.; Kozu, M.; Okada, T.; Kobayashi, M. [Nippon Coal Oil Co. Ltd., Tokyo (Japan)

1996-10-28

Since natural pyrite is easy to obtain and cheap as coal liquefaction catalyst, it is to be used for the 150 t/d scale NEDOL process bituminous coal liquefaction pilot plant. NEDO and NCOL have investigated the improvement of catalytic activity of pulverized natural pyrite for enhancing performance and economy of the NEDOL process. In this study, coal liquefaction tests were conducted using natural pyrite catalyst pulverized by dry-type bowl mill under nitrogen atmosphere. Mechanism of catalytic reaction of the natural pyrite was discussed from relations between properties of the catalyst and liquefaction product. The natural pyrite provided an activity to transfer gaseous hydrogen into the liquefaction product. It was considered that pulverized pyrite promotes the hydrogenation reaction of asphaltene because pulverization increases its contact rate with reactant and the amount of active points on its surface. It was inferred that catalytic activity of pyrite is affected greatly by the chemical state of Fe and S on its surface. 3 refs., 4 figs., 1 tab.

Coal/Polymer Coprocessing with Efficient Use of Hydrogen.

Energy Technology Data Exchange (ETDEWEB)

Broadbelt, L.J.

1997-08-31

The objective of the current research is to investigate the feasibility of coprocessing coal with waste polymers, with particular interest in employing the polymers as an alternate hydrogen source for coal upgrading and simultaneously recovering high valued fuels and chemicals from plastic waste. A chemical modeling approach was employed in which real and model feedstocks were used to identify the underlying reaction pathways, kinetics, and mechanisms controlling coal liquefaction in the presence of plastics and catalysts. Simple model systems were employed to facilitate product analysis and obtain information about the intrinsic reactivity. When reacted in binary mixtures, the conversion of tetradecane, a model compound of polyethylene, increased while the selectivities to primary products of 4-(naphthylmethyl) bibenzyl were enhanced. Experiments in the last six months in which the relative concentrations of the components were varied revealed that the effect was indeed a chemical one and not simply a result of dilution. An experimental protocol was developed to conduct experiments at elevated pressures more representative of coal liquefaction conditions. Preliminary experiments with real feedstocks allowed the extrinsic factors (i.e., diffusion limitations, solvent effects) to be identified. The combination of these two sets of experiments will ultimately be used to carry out process optimization and formulate strategies for catalyst development.

Activity and selectivity of three molybdenum catalysts for coal liquefaction reactions

Energy Technology Data Exchange (ETDEWEB)

Curtis, C.W.; Pellegrino, J.L.

The activity and selectivity of three different molybdenum catalysts for reactions occurring in coal liquefaction, specifically for hydrogenation (HYD), hydrodeoxygenation (HDO), hydrodenitrogenation (HDN), hydrodesulfurization (HDS), and hydrocracking (HYC), have been examined. The three molybdenum catalysts used were molybdenum napthenate, molybdenum on ..gamma..-alumina, and a precipitated, disordered MoS/sub 2/. Molybdenum naphthenate was most selective for HYD and HDN. All three catalysts exhibited approximately equal activity for HDS and HDO and little selectivity for HYC of alkyl bridge structures. The activity and selectivity of the three molybdenum catalysts for producing hydrocarbons and removing heteroatoms from coal during liquefaction were determined and compared. Molybdenum naphthenate was the most active catalyst for hydrocarbon production and removal of nitrogen- and oxygen-containing species during coal liquefaction. 31 refs., 4 figs., 7 tabs.

Technical project of complex fast cycle heat treatment of hydrogenous coal preparation

OpenAIRE

Moiseev, V. A.; Andrienko, V. G.; Pileckij, V. G.; Urvancev, A. I.; Gvozdyakov, Dmitry Vasilievich; Gubin, Vladimir Evgenievich; Matveev, Aleksandr Sergeevich; Savostiyanova, Ludmila Viktorovna

2015-01-01

Problems of heat-treated milled hydrogenous coal preparation site creation in leading fast cycle heat treatment complex were considered. Conditions for effective use of electrostatic methods of heat-treated milled hydrogenous coal preparation were set. Technical project of heat treatment of milled hydrogenous coal preparation site was developed including coupling of working equipment complex on fast heat treatment and experimental samples of equipment being designed for manufacturing. It was ...

Achievement report for fiscal 1984 on Sunshine Program. Research on coal liquefaction reaction and the reforming and utilization of products; 1984 nendo sekitan no ekika hanno to seiseibutsu no kaishitsu riyo no kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1985-03-01

Upon the development into a single law of the three liquefaction related laws, studies are started on coal liquefaction reaction and the reforming and utilization of the products. In the research on coal liquefaction reaction, the solvent ratio, change in reaction time, and change in liquefaction product constitution in case of repeated circulation of the solvent are tracked, and their relations with the liquefaction rate and yield are studied, these efforts involving the Taiheiyo coal, Yallourn coal, and the Miike coal. The Taiheiyo coal is subjected to a short-duration liquefaction reaction test. In the research on product reforming, the medium-gravity fraction from coal liquefaction is subjected to hydrogenation, and the effect of the reaction conditions on the properties and constitution of the thus-treated oil are studied. An SRC (solvent refined coal) solution of the Taiheiyo coal is subjected to hydrogenation in the presence of a Ni-Mo catalyst, and the SRC cracking rate and product properties are compared with those obtained from another solution treated with a Co-Mo catalyst. In the research on product utilization, the medium-gravity fraction from coal liquefaction is subjected to hydrogenation under three sets of different reaction conditions in the presence of a Ni-Mo/Al{sub 2}O{sub 3} based catalyst. In this process, specimens are prepared by mixing the original oil, its hydrogenated product, and a petroleum-based light oil, and a study is made about the usability of the specimens and their mixtures with petroleum-based heater oil as light oil or heater oil. (NEDO)

Desulfurization and denitrogenation in copyrolysis of coal with hydrogen-rich gases

Energy Technology Data Exchange (ETDEWEB)

Liao, H.; Li, B.; Zhang, B. [Chinese Academy of Sciences, Taiyuan (China). Institute of Coal Chemistry

1999-06-01

Desulfurization and denitrogenation were systematically investigated by analyzing the chars and tars from copyrolysis of Yanzhou high sulfur bituminous coal with coke-oven gas (COG), synthesis gas (SG) and hydrogen. The results indicated that under the conditions of 3MPa, up to 650{degree}C with a heating rate of 10{degree}C/min, the desulfurization of coal pyrolysis with COG, SG and hydrogen were almost equal (about 80%, w%, ad), the order of denitrogenation were: hydrogen (41%) {gt} SG(35%) {gt} COG(30%). The distributions of sulfur in char, oil and gas was very similar under the three reactive gases, i.e., about 205 in char, 105 in tar and 70% (diff.) in gas, respectively. Compared with hydropyrolysis at the same hydrogen partial pressure, the desulfurization of coal pyrolysis with coke oven gas was increased by about 4.5%, while the denitrogenation was decreased by about 3.5%. There is an important desulfurization advantage for hydropyrolysis using COG and SG instead of pure hydrogen. Compared with the copyrolysis of coal with COG, Yanzhou coal pyrolysis under SG can achieve the same level of desufurization but higher denitrogenation. 11 refs., 3 figs., 4 tabs.

Analysis of the holistic impact of the Hydrogen Economy on the coal industry

Science.gov (United States)

Lusk, Shannon Perry

As gas prices soar and energy demand continues to grow amidst increasingly stringent environmental regulations and an assortment of global pressures, implementing alternative energy sources while considering their linked economic, environmental and societal impacts becomes a more pressing matter. The Hydrogen Economy has been proposed as an answer to meeting the increasing energy demand for electric power generation and transportation in an environmentally benign way. Based on current hydrogen technology development, the most practical feedstock to fuel the Hydrogen Economy may prove to be coal via hydrogen production at FutureGen plants. The planned growth of the currently conceived Hydrogen Economy will cause dramatic impacts, some good and some bad, on the economy, the environment, and society, which are interlinked. The goal of this research is to provide tools to inform public policy makers in sorting out policy options related to coal and the Hydrogen Economy. This study examines the impact of a transition to a Hydrogen Economy on the coal industry by creating FutureGen penetration models, forecasting coal MFA's which clearly provide the impact on coal production and associated environmental impacts, and finally formulating a goal programming model that seeks the maximum benefit to society while analyzing the trade-offs between environmental, social, and economical concerns related to coal and the Hydrogen Economy.

Hydrogenolysis reactions characteristics of deashed coal under low temperature; Teionka ni okeru dakkai shoritan no suisoka bunkai hanno tokusei

Energy Technology Data Exchange (ETDEWEB)

Owada, T.; Mashimo, K.; Wainai, T. [Nihon University, Tokyo (Japan). College of Science and Technology

1996-10-28

In relation to coal liquefaction, the effect of inorganic minerals on liquefaction reactivity and the effect of hydrofluoric acid (HF) treatment on organic molecular structure of coals were studied by demineralization of low-rank coals in HCl or HF solution. In experiment, Taiheiyo coal specimen was deashed in HCl solution at 25-70{degree}C for 6 hours while agitating, and in addition, deashed in HF solution. Hydrogenolysis of the deashed coal specimen was conducted using tetralin or methylnaphthalene as solvent under initial hydrogen pressure of 1.96MPa at reaction temperature of 693K for 60min. The experimental results are as follows. The ash content of Taiheiyo coal hardly offers catalysis in hydrogenolysis reaction. Carboxyl group increases in demineralization of coal because of breakage of bridged bonds. Organic structure of coal changes by demineralization in dense HF solution. Change in organic structure of coal by demineralization in dense HF solution is dependent on treatment temperature. 2 refs., 4 figs., 1 tab.

Characterization and suitability of superclean coals for hydroliquefaction feedstocks: Final report

Energy Technology Data Exchange (ETDEWEB)

Kim, Nam

1989-05-30

Superclean coals have been studied for their suitability as liquefaction feedstocks. The effects of ash and sulfur contents and two catalysts on a hydrogen donor solvent liquefaction reaction have been studied. Experiments were run using a unique coal of small particle size (90% <22 microns). The coal was characterized in terms of its chemical and its physical properties. This information made it possible to determine the effects of the static tube flotation separation on the coal. Once characterized the coals were liquefied in the hydrogen donor tetralin under a hydrogen atmosphere of 500 psig. The first series of experiments was to determine the effects of the ash on the liquefaction reaction. The second group of experiments dealt with the effects of catalysts (ammonium molybdate and titanium carbide) on low ash coals at various conditions. A model for batch liquefaction in a hydrogen donor solvent is then developed. This model is based on the assumption that the reaction is due to two competing mechanisms; (1) a thermal decomposition of the coal and (2) a catalytic reaction. The thermal reaction produces unwanted products while the catalytic reaction produces the desired products. To accurately model the batch system, mass transfer is considered. 51 refs., 50 figs., 29 tabs.

Hydrogen production from coal using a nuclear heat source

International Nuclear Information System (INIS)

Quade, R.N.

1977-01-01

A strong candidate for hydrogen production in the intermediate time frame of 1990 to 1995 is a coal-based process using a high-temperature gas-cooled reactor (HTGR) as a heat source. Expected process efficiencies in the range of 60 to 70% are considerably higher than all other hydrogen production processes except steam reforming of a natural gas - a feedstock which may not be available in large quantities in this time frame. The process involves the preparation of a coal liquid, hydrogasification of that liquid, and steam reforming of the resulting gaseous or light liquid product. Bench-scale experimental work on the hydrogasification of coal liquids is being carried out. A study showing process efficiency and cost of hydrogen vs nuclear reactor core outlet temperature has been completed and shows diminishing returns at process temperatures above about 1500 0 F. (author)

Mechanism of Wandoan coal liquefaction by the use of tritium and 14C tracer method

International Nuclear Information System (INIS)

Kabe, Toshiaki; Nitoh, Osamu; Kawakami, Akira; Marumoto, Motoi; Nakagawa, Kouhei

1986-01-01

In order to make the behavior of hydrogen donor solvent clear, Wandoan coal was liquefied in tritium labeled tetralin solvent contained a small amount of 14 C labeled naphthalene, under initial H 2 pressure : 5.9 MPa, reaction temperature range : 400-440 deg C and with or without Ni-Mo-Al 2 O 3 catalyst. The concentration of 14 C in tetralin indicated that the hydrogenation of naphthalene to tetralin occurred. From tritium and hydrogen distributions in coal products, solvents and molecular hydrogen, the amounts of hydrogen which transferred by hydrogen addition and exchange reactions were estimated, and the effects of the catalyst and reaction temperature were examined. Without catalyst, the coal liquefaction proceeded mainly by the hydrogen addition from hydrogen donor solvent to coal and the hydrogen addition from molecular hydrogen to coal products hardly occurred. The catalyst was effective in the hydrocracking of preasphaltenes, but did not promote the hydrocracking of oil. Furthermore, the catalyst promoted the hydrogen addition from molecular hydrogen to coal products and solvents, and activated the hydrogen exchange between molecular hydrogen and solvents, but the hydrogen exchanges did not reach to equilibrium under the condition of 440 deg C. (author)

Solubilities of hydrogen and methane in coal liquids

Energy Technology Data Exchange (ETDEWEB)

Lin, Ho-mu; Sebastian, H M; Simnick, J J; Chao, Kwang Chu

1981-04-01

The solubilities of hydrogen and methane in Exxon Donor Solvent (EDS) and Solvent Refined Coal II (SRC-II) coal liquids are determined at 190 and 270 C and pressures to 250 atm. Two narrow boiling distillate cuts from EDS and three from SRC-II are studied.

Mechanism of obtaining carbon monoxide and hydrogen during brown coal radiolysis. [Gamma radiation

Energy Technology Data Exchange (ETDEWEB)

Rustamov, V R; Kurbanov, M A; Dzantiev, B T; Kerimov, V K; Musaeva, P F

1982-05-01

This article analyzes effects of gamma radiation on the yield of products of coal gasification: hydrogen and carbon monoxide. Samples of brown coal from the Kansk-Achins basin were treated by gamma radiation with cobalt 60 radiation source. Analyses show that accumulation of hydrogen and carbon monoxide in brown coal under influence of gamma radiation is characterized by a constant rate. Yields of carbon monoxide and hydrogen amount to 0.16 molecule/100 electro volt and 0.21 molecule/electro volt respectively. Reducing radiation dose from 2.5 to 0.7 millirad/h reduces yields of hydrogen and carbon monoxide. Increasing temperature of vacuum brown coal pyrolysis from 200 to 600 C causes decrease of hydrogen yield. Hydrogen yield decrease during temperature increase is caused by a high content of aromatic nuclei in the samples used in the radiolysis. (5 refs.)

Effect of hydrogen chloride on the corrosion of an FeCrAlY alloy in simulated coal gasifier atmospheres

Energy Technology Data Exchange (ETDEWEB)

Coley, K.S.; Rhoades-Brown, J.E.; Blick, K.

1989-03-01

An iron chromium aluminium yttrium steel was exposed to a simulated coal gasifier atmosphere containing 1000 ppm and 2200 ppm hydrogen chloride at 450/sup 0/C. Increasing hydrogen chloride content was found to accelerate reaction rates, and significantly alter the microstructure and composition of the corrosion product. Tentative explanations for these results, involving vapour phase transport of metal chlorides are proposed.

A comparison of hydrogen with alternate energy forms from coal and nuclear energy

International Nuclear Information System (INIS)

Cox, K.E.

1976-01-01

Alternate energy forms that can be produced from coal and nuclear energy have been analyzed on efficiency, economic and end-use grounds. These forms include hydrogen, methane, electricity, and EVA-ADAM, a 'chemical heat pipe' approach to energy transmission. The EVA-ADAM system for nuclear heat appears to be economically competitive with the other energy carriers except over very large distances. The cost of hydrogen derived from coal is approximately equal to that of methane derived from the same source when compared on an equal BTU basis. Thermochemically derived hydrogen from nuclear energy shows a break-even range with hydrogen derived from coal at coal costs of from Pound33 to 80/ton depending on the cost of nuclear heat. Electricity and electrolytically derived hydrogen are the most expensive energy carriers and electricity's use should be limited to applications involving work rather than heat. Continued work in thermochemical hydrogen production schemes should be supported as an energy option for the future. (author)

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.

Study on Al2O3 extraction from activated coal gangue under different calcination atmospheres

Science.gov (United States)

Dong, Ling; Liang, Xinxing; Song, Qiang; Gao, Gewu; Song, Lihua; Shu, Yuanfeng; Shu, Xinqian

2017-12-01

Coal gangue was calcinated under air, nitrogen, carbon dioxide, air-hydrogen, and hydrogen atmospheres. The effects of different calcination temperatures and atmospheres on the mineral composition of activated coal gangue were investigated by X-ray diffraction. Moreover, the acid leaching kinetics of aluminum oxide from coal gangue was investigated with sulfuric acid. It showed that the air atmosphere promoted kaolinite decomposition during coal gangue calcination. The hydrogen atmosphere promoted the activation and decomposition of kaolinite at reaction temperatures exceeding 650°C. The carbon dioxide atmosphere eliminated the influence of residual carbon on coal gangue. When the ratio of acid/coal gangue was 1.5 and reaction temperature was 650°C, the sulfuric acid leaching rate under air, air-hydrogen, carbon dioxide, hydrogen and nitrogen atmospheres were 93.66%, 90.90%, 84.06%, 81.91% and 77.54% respectively. The acid leaching reaction process conformed to unreacted shrinking core model of particle unchanged, and was controlled by the interfacial chemical reaction. The reaction kinetic equation for the leaching process was 1-(1-x)1/3=kt with an apparent activation energy of 48.97 kJ/mol.

Hydrogen production from coal gasification for effective downstream CO{sub 2} capture

Energy Technology Data Exchange (ETDEWEB)

Gnanapragasam, Nirmal V.; Reddy, Bale V.; Rosen, Marc A. [Faculty of Engineering and Applied Science, University of Ontario Institute of Technology, 2000 Simcoe Street North, Oshawa, Ontario, L1H 7K4 (Canada)

2010-05-15

The coal gasification process is used in commercial production of synthetic gas as a means toward clean use of coal. The conversion of solid coal into a gaseous phase creates opportunities to produce more energy forms than electricity (which is the case in coal combustion systems) and to separate CO{sub 2} in an effective manner for sequestration. The current work compares the energy and exergy efficiencies of an integrated coal-gasification combined-cycle power generation system with that of coal gasification-based hydrogen production system which uses water-gas shift and membrane reactors. Results suggest that the syngas-to-hydrogen (H{sub 2}) system offers 35% higher energy and 17% higher exergy efficiencies than the syngas-to-electricity (IGCC) system. The specific CO{sub 2} emission from the hydrogen system was 5% lower than IGCC system. The Brayton cycle in the IGCC system draws much nitrogen after combustion along with CO{sub 2}. Thus CO{sub 2} capture and compression become difficult due to the large volume of gases involved, unlike the hydrogen system which has 80% less nitrogen in its exhaust stream. The extra electrical power consumption for compressing the exhaust gases to store CO{sub 2} is above 70% for the IGCC system but is only 4.5% for the H{sub 2} system. Overall the syngas-to-hydrogen system appears advantageous to the IGCC system based on the current analysis. (author)

Elucidation of hydrogen mobility in tetralin under coal liquefaction conditions using a tritium tracer method. Effects of the addition of H2S and H2O; Tritium tracer ho wo mochiita sekitan ekika hanno jokenka deno tetralin no suiso idosei hyoka. Ryuka suiso oyobi mizu no tenka koka

Energy Technology Data Exchange (ETDEWEB)

Kanbe, M.; Saito, M.; Ishihara, A.; Kabe, T. [Tokyo University of Agriculture and Technology, Tokyo (Japan)

1996-10-28

It was previously reported that the tritium tracer method is useful for the quantitative consideration of hydrogen behavior in coal during coal liquefaction reaction. Tetralin is excellent hydrogen donating solvent, and is considered as one of the model compounds of coal. In this study, effects of H2S and H2O on the hydrogen exchange reaction between tetralin and gaseous hydrogen labeled by tritium were investigated. It was suggested that the conversion of tetralin and the hydrogen exchange reaction between gaseous hydrogen and tetralin proceed through the radical reaction mechanism with a tetralyl radical as an intermediate product. When H2S existed in this reaction, the hydrogen exchange yield increased drastically without changing the conversion yield. This suggested that the hydrogen exchange reaction proceeds even in the reaction where radical does not give any effect. In the case of H2O addition, the conversion yield and hydrogen exchange rate decreased into a half or one-third. It was suggested that H2O inhibited the formation process of tetralyl radical. 6 refs., 4 figs.

Report on the achievements in the Sunshine Project in fiscal 1986. Studies on coal liquefying reactions, and product reforming and utilization; 1981 nendo sekitan no ekika hanno to seiseibutsu no kaishitsu riyo no kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1982-03-01

The study items for the current fiscal year are as follows: (1) fundamental studies on coal liquefying reactions, (2) studies on product reforming, and (3) studies on product utilization. In Item 1, investigations were given on effects of hydrogenation treatment for a heavy circulation solvent in the coal liquefying reactions imposed on yield and nature of the product oil. Liquefying reactions were carried out under the presence of various heavy solvents having different hydrogen donating performances, or iron-based and oil soluble solvents. Liquefaction rates, yields and natures of different products were analyzed to discuss the degree of hydrogen donating performance of the solvents, the using conditions for the catalysts in the primary liquefying reaction, and the reaction conditions to enhance the product oil yield. In Item 2, hydrogenation treatment was given on the heavy oil fraction of the product oil obtained from the liquefying reaction using a heavy circulating solvent. The result was compared with the result on the medium oil fraction. Light oil fraction obtained from brown coal liquefaction was reformed to manufacture the reformed oil for engine tests. In Item 3, nature analysis and combustion tests were performed on the light oil fraction of the liquefied oil using brown coal as the material, and on the hydrogenated oil as a diesel engine fuel. The reforming effects were discussed from the amount and nature of the exhaust gas. (NEDO)

Optimization of hydrogen and syngas production from PKS gasification by using coal bottom ash.

Science.gov (United States)

Shahbaz, Muhammad; Yusup, Suzana; Inayat, Abrar; Patrick, David Onoja; Pratama, Angga; Ammar, Muhamamd

2017-10-01

Catalytic steam gasification of palm kernel shell is investigated to optimize operating parameters for hydrogen and syngas production using TGA-MS setup. RSM is used for experimental design and evaluating the effect of temperature, particle size, CaO/biomass ratio, and coal bottom ash wt% on hydrogen and syngas. Hydrogen production appears highly sensitive to all factors, especially temperature and coal bottom ash wt%. In case of syngas, the order of parametric influence is: CaO/biomass>coal bottom ash wt%>temperature>particle size. The significant catalytic effect of coal bottom ash is due to the presence of Fe 2 O 3 , MgO, Al 2 O 3 , and CaO. A temperature of 692°C, coal bottom ash wt% of 0.07, CaO/biomass of 1.42, and particle size of 0.75mm are the optimum conditions for augmented yield of hydrogen and syngas. The production of hydrogen and syngas is 1.5% higher in the pilot scale gasifier as compared to TGA-MS setup. Copyright © 2017 Elsevier Ltd. All rights reserved.

Estimation of hydrogen bondings in coal utilizing FTir and differential scanning calorimetry (DSC); FTir to DSC wo mochiita sekitannai suiso ketsugo no teiryoteki hyoka no kokoromi

Energy Technology Data Exchange (ETDEWEB)

Mae, K.; Miura, K. [Kyoto University, Kyoto (Japan). Faculty of Engineering

1996-10-28

With an objective to know coal condensation structure which has influence on coal conversion reaction, an attempt was made on quantitative evaluation of hydrogen bonding in coal. Using as test samples the VDC made from Taiheiyo coal swollen by tetralin and vacuum-dried, and its pyrolyzed char, DSC measurement and Fourier transform infrared spectroscopy (FT) were performed. An FT spectrum comparison revealed that the VDC swollen at 220{degree}C has the hydrogen bonding relaxed partly from the original coal. However, since the change is in a huge coal molecular structure restraining space, it has stopped at relaxation of the bonding energy without causing separation as far as free radicals. On the other hand, the DSC curve shows that the VDC has slower endothermic velocity than the original coal. In other words, the difference in heat absorption amounts in both materials is equivalent to the difference of enthalpy ({Delta} H) of both materials, which corresponds to the relaxation of the hydrogen bonding. Therefore, the {Delta} H was related to wavenumber shift of the FT spectra (which corresponds to change in the hydrogen bonding condition). By using this relationship, a method for evaluating hydrogen bonding distribution was proposed from an O-H contracting vibration change that can be measured by using the FT spectra and a thermal change that can be measured by using the DSC. 3 refs., 7 figs.

Effect of Recycle Solvent Hydrotreatment on Oil Yield of Direct Coal Liquefaction

Directory of Open Access Journals (Sweden)

Shansong Gao

2015-07-01

Full Text Available Effects of the recycle solvent hydrotreatment on oil yield of direct coal liquefaction were carried out in the 0.18 t/day direct coal liquefaction bench support unit of National Engineering Laboratory for Direct Coal Liquefaction (China. Results showed that the hydrogen-donating ability of the hydrogenated recycle solvent improved and the hydrogen consumption of solvent hydrotreatment was increased by decreasing liquid hourly space velocity (LHSV from 1.5 to 1.0 h−1 and increasing reaction pressure from 13.7 to 19.0 MPa. The hydrogen-donating ability of the hydrogenated recycle solvent was enhanced, thus promoting the oil yield and coal conversion of the liquefaction reaction. The coal conversion and distillates yield of coal liquefaction were increased from 88.74% to 88.82% and from 47.41% to 49.10%, respectively, with the increase in the solvent hydrotreatment pressure from 13.7 to 19.0 MPa. The coal conversion and distillates of coal liquefaction were increased from 88.82% to 89.27% and from 49.10% to 54.49%, respectively, when the LHSV decreased from 1.5 to 1.0 h−1 under the solvent hydrotreatment pressure of 19.0 MPa.

Experimental study on steam gasification of coal using molten blast furnace slag as heat carrier for producing hydrogen-enriched syngas

International Nuclear Information System (INIS)

Duan, Wenjun; Yu, Qingbo; Wu, Tianwei; Yang, Fan; Qin, Qin

2016-01-01

Highlights: • New method for producing HRG by gasification using BFS as heat carrier was proposed. • The continuous experiment of steam gasification in molten BFS was conducted. • The hydrogen-enriched syngas was produced by this method. • The molten BFS waste heat was utilized effectively by steam gasification. • This method could be widely used in steam gasification of different types of coal. - Abstract: The new method for producing hydrogen-enriched syngas (HRG) by steam gasification of coal using molten blast furnace slag (BFS) as heat carrier was established. In order to achieve the HRG production, a gasification system using this method was proposed and constructed. The carbon gasification efficiency (CE), hydrogen yield (YH_2) and cold gasification efficiency (CGE) in the molten slag reactor were measured, and the effects of temperature, S/C (steam to coal) ratio and coal type on the reaction performance were accessed. The results indicated that the preferred temperature was 1350 °C, which ensured the miscibility of coal–steam–slag, the diffusion of reactant in molten BFS as well as recovering waste heat. The optimal S/C ratio was 1.5–2.0 for producing HRG. Under these conditions, the hydrogen fraction was higher than 63% and the gas yield reached to 1.89 Nm"3/kg. The CE and CGE were higher than 96% and 102%, respectively. The YH_2 also reached to 1.20 Nm"3/kg. Meanwhile, different types of coal were successfully gasified in molten BFS reactor for producing HRG. The proposed method enhanced the gasification efficiency of different types of coal, recovered the BFS waste heat effectively, and had important guidance for industrial manufacture.

Hydrogen evolution reaction catalyst

Science.gov (United States)

Subbaraman, Ram; Stamenkovic, Vojislav; Markovic, Nenad; Tripkovic, Dusan

2016-02-09

Systems and methods for a hydrogen evolution reaction catalyst are provided. Electrode material includes a plurality of clusters. The electrode exhibits bifunctionality with respect to the hydrogen evolution reaction. The electrode with clusters exhibits improved performance with respect to the intrinsic material of the electrode absent the clusters.

Influence of catalytic activity and reaction conditions on the product distribution in coal liquefaction; Sekitan ekikayu no seiseibutsu bunpu ni taisuru shokubai kassei oyobi hanno joken no eikyo

Energy Technology Data Exchange (ETDEWEB)

Hasuo, H.; Sakanishi, K.; Mochida, I. [Kyushu University, Fukuoka (Japan). Institute of Advanced Material Study

1996-10-28

The NiMo sulfide supported on Ketjen Black (KB) was more effective and yielded lighter oil products containing light fractions with their boiling point below 300{degree}C during the two stage liquefaction combining low temperature and high temperature hydrogenation the conventional NiMo/alumina catalyst and FeS2 catalyst. Although the NiMo/alumina yielded increased oil products during the two stage liquefaction, the lighter oil fractions did not increase and the heavier fractions increased mainly. This suggests that the hydrogenation of aromatic rings and successive cleavage of the rings are necessary for producing the light oil, which is derived from the sufficient hydrogenation of aromatic rings using catalysts. For the two stage reaction with NiMo/KB catalyst, it was considered that sufficient hydrogen was directly transferred to coal molecules at the first stage of the low temperature reaction, which promoted the solubilization of coal and the successive hydrogenation at the high temperature reaction. Thus, high activity of the catalyst must be obtained. It is expected that further high quality distillates can be produced through the optimization of catalysts and solvents at the two stage reaction. 1 ref., 4 figs., 1 tab.

Durable regenerable sorbent pellets for removal of hydrogen sulfide coal gas

Science.gov (United States)

Siriwardane, Ranjani V.

1999-01-01

Pellets for removing hydrogen sulfide from a coal gasification stream at an elevated temperature are prepared in durable form, usable over repeated cycles of absorption and regeneration. The pellets include a material reactive with hydrogen sulfide, in particular zinc oxide, a binder, and an inert material, in particular calcium sulfate (drierite), having a particle size substantially larger than other components of the pellets. A second inert material and a promoter may also be included. Preparation of the pellets may be carried out by dry, solid-state mixing of components, moistening the mixture, and agglomerating it into pellets, followed by drying and calcining. Pellet size is selected, depending on the type of reaction bed for which the pellets are intended. The use of inert material with a large particle size provides a stable pellet structure with increased porosity, enabling effective gas contact and prolonged mechanical durability.

Advanced Hydrogen Transport Membrane for Coal Gasification

Energy Technology Data Exchange (ETDEWEB)

Schwartz, Joseph [Praxair, Inc., Tonawanda, NY (United States); Porter, Jason [Colorado School of Mines, Golden, CO (United States); Patki, Neil [Colorado School of Mines, Golden, CO (United States); Kelley, Madison [Colorado School of Mines, Golden, CO (United States); Stanislowski, Josh [Univ. of North Dakota, Grand Forks, ND (United States); Tolbert, Scott [Univ. of North Dakota, Grand Forks, ND (United States); Way, J. Douglas [Colorado School of Mines, Golden, CO (United States); Makuch, David [Praxair, Inc., Tonawanda, NY (United States)

2015-12-23

A pilot-scale hydrogen transport membrane (HTM) separator was built that incorporated 98 membranes that were each 24 inches long. This separator used an advanced design to minimize the impact of concentration polarization and separated over 1000 scfh of hydrogen from a hydrogen-nitrogen feed of 5000 scfh that contained 30% hydrogen. This mixture was chosen because it was representative of the hydrogen concentration expected in coal gasification. When tested with an operating gasifier, the hydrogen concentration was lower and contaminants in the syngas adversely impacted membrane performance. All 98 membranes survived the test, but flux was lower than expected. Improved ceramic substrates were produced that have small surface pores to enable membrane production and large pores in the bulk of the substrate to allow high flux. Pd-Au was chosen as the membrane alloy because of its resistance to sulfur contamination and good flux. Processes were developed to produce a large quantity of long membranes for use in the demonstration test.

Fe(CO)5-catalyzed coprocessing of coal and heavy oil vacuum residue using syngas-water as a hydrogen source; Fe(CO)5 shokubai ni yoru gosei gas-mizu wo suisogen to suru sekitan-jushitsuyu no coprocessing

Energy Technology Data Exchange (ETDEWEB)

Hata, K.; Wada, K.; Mitsudo, T. [Kyoto University, Kyoto (Japan)

1996-10-28

Improvement in efficiency and profitability of hydrogenation reaction of heavy hydrocarbon resources is the most important matter to be done. In this study, coprocessing of coal and heavy oil vacuum residue was conducted using syngas-water as a hydrogen source. For the investigation of effect of the reaction temperature during the coprocessing of Wandoan coal and Arabian heavy vacuum residue using Fe(CO)5 as a catalyst, the conversion, 66.0% was obtained at 425{degree}C. For the investigation of effect of reaction time, the yield of light fractions further increased during the two stage reaction at 400{degree}C for 60 minutes and at 425{degree}C for 60 minutes. Finally, almost 100% of THF-soluble matter was obtained through the reaction using 2 mmol of Fe(CO)5 catalyst at 400{degree}C for 60 minutes, and hydrogenation of heavy oil was proceeded simultaneously. When comparing coprocessing reactions using three kinds of hydrogen sources, i.e., hydrogen, CO-water, and syngas-water, the conversion yield and oil yield obtained by using syngas-water were similar to those obtained by using hydrogen, which demonstrated the effectiveness of syngas-water. 2 refs., 2 figs., 2 tabs.

Reaction of hydrogen atoms with acrylaldehyde

International Nuclear Information System (INIS)

Koda, Seiichiro; Nakamura, Kazumoto; Hoshino, Takashi; Hikita, Tsutomu

1978-01-01

The reaction of hydrogen atoms with acrylaldehyde was investigated in a fast flow reactor equipped with a time-of-flight type mass spectrometer under reduced pressure. Main reaction products were carbon monoxide, ethylene, ethane, methane, and propanal. Consideration of the distributions of the reaction products under various reaction conditions showed that hydrogen atoms attacked the C=C double bond, especially its inner carbon side under reduced pressure. Resulting hot radicals caused subsequent reactions. The relative value of the apparent bimolecular rate constant of the reaction against that of trans-2-butene with hydrogen atoms was 1.6+-0.2, which supported the above-mentioned initial reaction. (auth.)

Report on the Sunshine Project in fiscal 1988 in research of coal liquefying technologies. Studies on direct hydrogenation liquefying reaction mechanism and prevention of carbonization; 1989 nendo sekitan no ekika gijutsu ni kansuru kenkyu hokokusho. Chokusetsu suiten ekika hanno kiko to tanka boshi no kenkyu

Energy Technology Data Exchange (ETDEWEB)

NONE

1989-07-01

This paper reports the research of coal liquefying technologies in the Sunshine Project in fiscal 1988. The research was performed with importance placed on the fundamentals of coal liquefaction and high value added compounds. Production of n-paraffin in the liquefying reaction occurs from reduction of acidic ester, and this ester structure contributes to cross-linking of aromatic rings. Most of the aromatic rings in coal has long side chains. A hypothesis was assumed that these chains have been produced from reaction of lignin in plants with fatty acid or alcohol. The hypothesis was verified from a synthesizing reaction by model substances. This could be said an initial reaction model for coalification. In order to verify de-alkylating reaction of the liquefied oil, model substances were used to investigate the products. Benzene having long alkyl side chains have the alkyl group dissociated, and on the other hand cyclization progressed producing naphthalene. Melting performance during coking is attributed to a great amount of solvent soluble low molecular constituents contained in coal. These constituents are contained in close contact in a net-like structure, which is loosened only by heating extraction, and extracted. They have no hydrogen donating performance. (NEDO)

Durable regenerable sorbent pellets for removal of hydrogen sulfide from coal gas

Science.gov (United States)

Siriwardane, Ranjani V.

1997-01-01

Pellets for removing hydrogen sulfide from a coal gasification stream at an elevated temperature are prepared in durable form usable over repeated cycles of absorption and regeneration. The pellets include a material reactive with hydrogen sulfide, in particular zinc oxide, a binder, and an inert material, in particular calcium sulfate (drierite), having a particle size substantially larger than other components of the pellets. A second inert material and a promoter may also be included. Preparation of the pellets may be carried out by dry, solid-state mixing of components, moistening the mixture, and agglomerating it into pellets, followed by drying and calcining. Pellet size is selected, depending on the type of reaction bed for which the pellets are intended. The use of inert material with a large particle size provides a stable pellet structure with increased porosity, enabling effective gas contact and prolonged mechanical durability.

Long-Term Demonstration of Hydrogen Production from Coal at Elevated Temperatures Year 6 - Activity 1.12 - Development of a National Center for Hydrogen Technology

Energy Technology Data Exchange (ETDEWEB)

Stanislowski, Joshua; Tolbert, Scott; Curran, Tyler; Swanson, Michael

2012-04-30

The Energy & Environmental Research Center (EERC) has continued the work of the National Center for Hydrogen Technology® (NCHT®) Program Year 6 Task 1.12 project to expose hydrogen separation membranes to coal-derived syngas. In this follow-on project, the EERC has exposed two membranes to coal-derived syngas produced in the pilot-scale transport reactor development unit (TRDU). Western Research Institute (WRI), with funding from the State of Wyoming Clean Coal Technology Program and the North Dakota Industrial Commission, contracted with the EERC to conduct testing of WRI’s coal-upgrading/gasification technology for subbituminous and lignite coals in the EERC’s TRDU. This gasifier fires nominally 200–500 lb/hour of fuel and is the pilot-scale version of the full-scale gasifier currently being constructed in Kemper County, Mississippi. A slipstream of the syngas was used to demonstrate warm-gas cleanup and hydrogen separation using membrane technology. Two membranes were exposed to coal-derived syngas, and the impact of coal-derived impurities was evaluated. This report summarizes the performance of WRI’s patent-pending coalupgrading/ gasification technology in the EERC’s TRDU and presents the results of the warm-gas cleanup and hydrogen separation tests. Overall, the WRI coal-upgrading/gasification technology was shown to produce a syngas significantly lower in CO2 content and significantly higher in CO content than syngas produced from the raw fuels. Warm-gas cleanup technologies were shown to be capable of reducing sulfur in the syngas to 1 ppm. Each of the membranes tested was able to produce at least 2 lb/day of hydrogen from coal-derived syngas.

Study of initial stage in coal liquefaction. Increase in oil yield with suppression of retrogressive reaction during initial stage; Ekika hanno no shoki katei ni kansuru kenkyu. 1.

Energy Technology Data Exchange (ETDEWEB)

Uesugi, K.; Kanaji, M.; Kaneko, T.; Shimasaki, K. [Nippon Brown Coal Liquefaction Co. Ltd., Tokyo (Japan)

1996-10-28

For the coal liquefaction, improvement of liquefaction conditions and increase of liquefied oil yield are expected by suppressing the recombination through rapid stabilization of pyrolytic radicals which are formed at the initial stage of liquefaction. Two-stage liquefaction combining prethermal treatment and liquefaction was performed under various conditions, to investigate the effects of reaction conditions on the yields and properties of products as well as to increase liquefied oil yield. Consequently, it was found that the catalyst contributes greatly to the hydrogen transfer to coal at the prethermal treatment. High yield of n-hexane soluble fraction with products having low condensation degree could be obtained by combining the prethermal treatment in the presence of hydrogen and catalyst with the concentration of slurry after the treatment. This was considered to be caused by the synergetic effect between the improvement of liquefaction by suppressing polymerization/condensation at the initial stage of reaction through the prethermal treatment and the effective hydrogen transfer accompanied with the improvement of contact efficiency of coal/catalyst by the concentration of slurry at the stage of liquefaction. 4 refs., 8 figs.

Free radical reaction characteristics of coal low-temperature oxidation and its inhibition method.

Science.gov (United States)

Li, Zenghua; Kong, Biao; Wei, Aizhu; Yang, Yongliang; Zhou, Yinbo; Zhang, Lanzhun

2016-12-01

Study on the mechanism of coal spontaneous combustion is significant for controlling fire disasters due to coal spontaneous combustion. The free radical reactions can explain the chemical process of coal at low-temperature oxidation. Electron spin resonance (ESR) spectroscopy was used to measure the change rules of the different sorts and different granularity of coal directly; ESR spectroscopy chart of free radicals following the changes of temperatures was compared by the coal samples applying air and blowing nitrogen, original coal samples, dry coal samples, and demineralized coal samples. The fragmentation process was the key factor of producing and initiating free radical reactions. Oxygen, moisture, and mineral accelerated the free radical reactions. Combination of the free radical reaction mechanism, the mechanical fragmentation leaded to the elevated CO concentration, fracturing of coal pillar was more prone to spontaneous combustion, and spontaneous combustion in goaf accounted for a large proportion of the fire in the mine were explained. The method of added diphenylamine can inhibit the self-oxidation of coal effectively, the action mechanism of diphenylamine was analyzed by free radical chain reaction, and this research can offer new method for the development of new flame retardant.

Research on mechanism of and catalysts for extraction liquefaction of coal using coal-based solvents; Sekitankei yozai ni yoru sekitan no chushutsu ekika kiko to shokubai no kenkyu

Energy Technology Data Exchange (ETDEWEB)

NONE

1981-07-01

Papers of Professor Yoshio Kamiya of Tokyo University are compiled into this report. The list of the papers includes (1) Synthesis of heavy fuel oils from coal; (2) Research and development of coal liquefaction; (3) Dissolution reaction of coal by hydrogen-donating aromatic solvents (I); (4) Effect of hydrogen-donor solvent on the liquefaction of coal; (5) Recent studies on the chemical structure of solvent refined coal; (6) Dissolution reaction of coal by hydrogen-donating aromatic solvents (II); (7) Future of coal as energy material; (8), (9), (10) same as (6) in the subject discussed; (11) Recent studies on coal liquefaction catalysts; (12) Environmental problems and drain treatment to accompany processes of converting fossil resources into fuels; (13) Chemistry of coal oxidation; (14) Fractionation and analysis of solvent refined coal by gel permeation chromatography; (15) Current state of research and development of coal liquefaction; (16) Properties and components of coal oils from coal liquefaction processes under development; (17) Solvent effect of coal derived aromatic compounds on the liquefaction of Akabira coal; (18) Chemistry of coal liquefaction; (19) Research and development of coal liquefaction in the U.S.; (20) Thermal treatment of coal-related aromatic ethers in tetralin solution; (21) Recent technology of utilizing heavy carbon resources; (22) Chemical properties and reactivity of coal; (23) Current state and future of development of coal liquefaction processes; and (24) Development of overseas coal liquefaction projects. (NEDO)

Red soil as a regenerable sorbent for high temperature removal of hydrogen sulfide from coal gas

International Nuclear Information System (INIS)

Ko, T.-H.; Chu Hsin; Lin, H.-P.; Peng, C.-Y.

2006-01-01

In this study, hydrogen sulfide (H 2 S) was removed from coal gas by red soil under high temperature in a fixed-bed reactor. Red soil powders were collected from the northern, center and southern of Taiwan. They were characterized by XRPD, porosity analysis and DCB chemical analysis. Results show that the greater sulfur content of LP red soils is attributed to the higher free iron oxides and suitable sulfidation temperature is around 773 K. High temperature has a negative effect for use red soil as a desulfurization sorbent due to thermodynamic limitation in a reduction atmosphere. During 10 cycles of regeneration, after the first cycle the red soil remained stable with a breakthrough time between 31 and 36 min. Hydrogen adversely affects sulfidation reaction, whereas CO exhibits a positive effect due to a water-shift reaction. COS was formed during the sulfidation stage and this was attributed to the reaction of H 2 S and CO. Results of XRPD indicated that, hematite is the dominant active species in fresh red soil and iron sulfide (FeS) is a product of the reaction between hematite and hydrogen sulfide in red soils. The spinel phase FeAl 2 O 4 was found during regeneration, moreover, the amount of free iron oxides decreased after regeneration indicating the some of the free iron oxide formed a spinel phase, further reducting the overall desulfurization efficiency

Greenhouse gas implications of using coal for transportation: Life cycle assessment of coal-to-liquids, plug-in hybrids, and hydrogen pathways

International Nuclear Information System (INIS)

Jaramillo, Paulina; Samaras, Constantine; Wakeley, Heather; Meisterling, Kyle

2009-01-01

Using coal to produce transportation fuels could improve the energy security of the United States by replacing some of the demand for imported petroleum. Because of concerns regarding climate change and the high greenhouse gas (GHG) emissions associated with conventional coal use, policies to encourage pathways that utilize coal for transportation should seek to reduce GHGs compared to petroleum fuels. This paper compares the GHG emissions of coal-to-liquid (CTL) fuels to the emissions of plug-in hybrid electric vehicles (PHEV) powered with coal-based electricity, and to the emissions of a fuel cell vehicle (FCV) that uses coal-based hydrogen. A life cycle approach is used to account for fuel cycle and use-phase emissions, as well as vehicle cycle and battery manufacturing emissions. This analysis allows policymakers to better identify benefits or disadvantages of an energy future that includes coal as a transportation fuel. We find that PHEVs could reduce vehicle life cycle GHG emissions by up to about one-half when coal with carbon capture and sequestration is used to generate the electricity used by the vehicles. On the other hand, CTL fuels and coal-based hydrogen would likely lead to significantly increased emissions compared to PHEVs and conventional vehicles using petroleum-based fuels.

Chemical reaction between single hydrogen atom and graphene

International Nuclear Information System (INIS)

Ito, Atsushi; Nakamura, Hiroaki; Takayama, Arimichi

2007-04-01

We study chemical reaction between a single hydrogen atom and a graphene, which is the elemental reaction between hydrogen and graphitic carbon materials. In the present work, classical molecular dynamics simulation is used with modified Brenner's empirical bond order potential. The three reactions, that is, absorption reaction, reflection reaction and penetration reaction, are observed in our simulation. Reaction rates depend on the incident energy of the hydrogen atom and the graphene temperature. The dependence can be explained by the following mechanisms: (1) The hydrogen atom receives repulsive force by π-electrons in addition to nuclear repulsion. (2) Absorbing the hydrogen atom, the graphene transforms its structure to the 'overhand' configuration such as sp 3 state. (3) The hexagonal hole of the graphene is expanded during the penetration of the hydrogen atom. (author)

Report on the achievements in the Sunshine Project in fiscal 1990 on research and development of coal energy. Studies on coal liquefying catalysts and a method for analyzing liquefied oil; 1990 nendo sekitan ekikayo shokubai oyobi ekikayu bunsekiho no kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1991-03-01

This paper describes the achievements in the Sunshine Project in fiscal 1990 on research of coal liquefying catalysts and a method for analyzing liquefied oil. Regenerating deteriorated hydrogenating catalysts for coal liquefied oil makes the restoration non-reversible because of residual sulfate. Discussions were given on the regenerating mechanisms. It was found that adding Ru enhances activity of an Ni-Mo catalyst for hydrogenating denitrification and hydrogenation. In studying coal liquefying reaction, a basic study was performed to analyze a catalytic mechanism in the hydrogenating decomposition. Sequential lightening reaction process is being analyzed at molecular levels on coal, preasphaltene, asphaltene and oil. Investigations were carried out on hydrogenating denitrification, deoxygenation, ring opening, decomposition mechanism and catalytic action. A study on precision structural analysis has begun on PSU circulating solvent as a NEDO bituminous coal liquefaction supporting technology. In fiscal 1990, a preliminary study was performed to identify the overall image of the composition of the Wandoan coal liquefied oil. Detailed analysis was executed on naphthalenes and their hydrides. This paper also describes composition analysis and reaction analysis by using the GC/MS ion chromatogram method. It also dwells on the study on catalyst utilizing systems. (NEDO)

Thermogravimetric analysis of multi-stage hydropyrolysis of different coals

Energy Technology Data Exchange (ETDEWEB)

Li, W.; Wang, N.; Li, B [Chinese Academy of Sciences, Taiyuan (China). State Key Lab. of Coal Conversion

2001-09-01

Based on the characteristic of hydropyrolysis (HyPy), a multi-stage MHyPy of different coals was investigated using thermogravimetry. The results show that keeping the near peak temperature for some time in HyPy process can obviously increase the conversion rate, which is believed due to the full match between formation rate of free radicals and supply of hydrogen. The fast heating in MHyPy process results in the same conversion rate as that of the slow heating in HyPy process, which leads to the less reaction time and high yield of oil. The effect of MHyPy depends on the coal structure itself and it is notable for the coal with high H/C ratio. This suggests that the external hydrogen promotes the reaction between intrinsic hydrogen and free radicals. The MHyPy improves the removal of sulfur and nitrogen. 5 refs., 7 figs., 2 tabs.

Study of coal flash hydropyrolysis denitrogenation

Energy Technology Data Exchange (ETDEWEB)

Tang, Lihua; Zhu, Zibin; Zhu, Hongbin; Zhang, Chengfang [Research Institute of Inorganic Chemical Technology, East China University of Science and Technology, 130 Meilong Road, Shanghai 200237 (China)

2003-05-15

The hydrodenitrogenation efficiency of 14 types of coals and the reaction mechanism of Zalainouer coal were studied in an experimental entrained bed reactor by flash hydropyrolysis (FHP). The results showed that flash hydropyrolysis is an efficient method for denitrogenation, and that the denitrogenation percentage increases with an increase in temperature and hydrogen pressure. For example, the denitrogenation percentage can reach up to about 60% for Zalainouer coal at 700 C and 6.0 MPa hydrogen pressure. The denitrogenation efficiency of different coal types is related to H/C. According to the conclusion of the study, the denitrogenation percentage increases with the increase in H/C ratio, reaching about 12% when H/C is equal to 0.6, and 40-55% when H/C is above 1.0. The results indicate that FHP is an efficient technique for removing nitrogen in coal.

Report on the achievements in the Sunshine Project in fiscal 1985. Studies on liquefying reaction of coals, and on reforming and utilizing the product; 1985 nendo sekitan no ekika hanno to seiseibutsu no kaishitsu riyo no kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1986-03-01

Contents of the studies on coal liquefaction processes during fiscal 1985 are as follows: coal liquefying reaction using iron based catalysts and adding solvent-refined coal (SRC) into the solvent is carried out by using an autoclave to investigate changes in the liquefaction rate, solvent and SRC; coal hydrogenating reaction using iron based catalysts is performed by using a continuous liquefying equipment to discuss sedimentation and accumulation of the catalysts, coal types, and conversion rate; hydrogenation treatment using Ni-Mo based catalysts is given on residual products produced by the liquefaction to compare degree of lightening and cleanliness with the result in medium fraction; hydrogenation treatment is given on the medium fraction produced in a large process to investigate effects of the reforming treatment from the nature of the produced oil and compare the effects with the nature of oil produced from mixing the medium fraction of the coal liquefied oil with the corresponding fraction from petroleum; a combustion test using a diesel engine is performed on oil reformed and produced from the hydrogenation treatment of the medium fraction of the coal liquefied oil to discuss the reforming effect from the amount and nature of the waste gas; and the oil mixed of the medium fraction and the corresponding fraction in petroleum is evaluated on petroleum substitution performance by using the above test. (NEDO)

Hydrodeoxygenation of coal using organometallic catalyst precursors

Science.gov (United States)

Kirby, Stephen R.

2002-04-01

The objective of this dissertation was to determine the desirability of organometallic compounds for the hydrodeoxygenation (HDO) of coal during liquefaction. The primary focus of this study was the removal of phenol-like compounds from coal liquids for the production of a thermally stable jet fuel. Investigation of the HDO ability of an organometallic compound containing both cobalt and molybdenum (CoMo-T2) was achieved using a combination of model compound and coal experiments. Model compounds were chosen representing four oxygen functional groups present in a range of coals. Electron density and bond order calculations were performed for anthrone, dinaphthyl ether, xanthene, di-t-butylmethylphenol, and some of their derivatives to ascertain a potential order of hydrogenolysis and hydrogenation reactivity for these compounds. The four model compounds were then reacted with CoMo-T2, as well as ammonium tetrathiomolybdate (ATTM). Products of reaction were grouped as compounds that had undergone deoxygenation, those that had aromatic rings reduced, those that were products of both reaction pathways, and those produced through other routes. ATTM had an affinity for both reaction types. Its reaction order for the four model compounds with respect to deoxygenated compounds was the same as that estimated from electron density calculations for hydrogenolysis reactivity. CoMo-T2 appeared to show a preference toward hydrogenation, although deoxygenated products were still achieved in similar, or greater, yields, for almost all the model compounds. The reactivity order achieved for the four compounds with CoMo-T2 was similar to that estimated from bond order calculations for hydrogenation reactivity. Three coals were selected representing a range of coal ranks and oxygen contents. DECS-26 (Wyodak), DECS-24 (Illinois #6), and DECS-23 (Pittsburgh #8) were analyzed by CPMAS 13C NMR and pyrolysis-GC-MS to determine the functional groups comprising the oxygen content of these

Study of mobilization and speciation of trace elements in coal pyrolysis

International Nuclear Information System (INIS)

Ting, B.T.G.

1979-01-01

Various types of coal contain high levels of a number of trace elements. Little is known of the fates of these trace elements during the conversion of coal to liquid and gaseous products. Studies were undertaken of mobilization and speciation of trace elements in coal pyrolysis, one of the major coal conversion processes. The bituminous coal was pyrolyzed to produce liquid and gaseous products. The pyrolysis products were collected in traps in an inert gas stream. In addition mildly hydrogenated coal was prepared by mixing with tetralin, a hydrogen donor solvent, at boiling temperature. In order to characterize each element specifically during pyrolysis, base samples of coal and mildly hydrogenated coal (H-coal) were spiked with heavy metal sulfides, trace metals bound to partially oxidized coal (coal humates), and halide salts prior to carrying out pyrolysis. Eight elements were investigated in this research. They are As, Br, Cl, Co, Cr, Mn, Se, and V. Pre-spiked hydrogenated coal, i.e., pulverized coal spiked with halide salts and heavy metal sulfides then hydrogenated with tetralin, was prepared and studied for the fates of these elements during pyrolysis. Chlorinated and brominated coals were also prepared to compare the volatility differences between organically and inorganically bound halogens during the pyrolysis reaction. These products and the coal char residues were analyzed for the spiked elements mainly by neutron activation analysis for the spiked elements to determine their degree of volatility. Volatility and recovery (mass balance) will be discussed for those elements that appeared highly volatile during pyrolysis. In order to understand the halogenated compounds in the pyrolysis products, gas chromatograms were taken to the collected pyrolysis products of coal, hydrogenated coal, NaCl spiked coal, NaBr spiked coal, chlorinated coal, and brominated coal

Negative Effect of Calcination to Catalytic Performance of Coal Char-loaded TiO2 Catalyst in Styrene Oxidation with Hydrogen Peroxide as Oxidant

Directory of Open Access Journals (Sweden)

Mukhamad Nurhadi

2018-01-01

How to Cite: Nurhadi, M., Kusumawardani, R., Nur, H. (2018. Negative Effect of Calcination to Catalytic Performance of Coal Char-loaded TiO2 Catalyst in Styrene Oxidation with Hydrogen Peroxide as Oxidant. Bulletin of Chemical Reaction Engineering & Catalysis, 13 (1: 113-118 (doi:10.9767/bcrec.13.1.1171.113-118

FY 1980 Report on results of Sunshine Project. Research and development of coal liquefaction techniques (Development of direct hydrogenation type liquefaction plant and researches on liquefaction reactions in the presence of iron-based catalyst); 1980 nendo sekitan ekika gijutsu no kenkyu kaihatsu, chokusetsu suiten ekika plant no kaihatsu seika hokokusho. Tetsukei shokubai ni yoru ekika hanno no kenkyu

Energy Technology Data Exchange (ETDEWEB)

NONE

1981-03-01

This program is aimed at development of iron-based catalyst suited for direct hydrogenation type coal liquefaction by elucidating the effects of the catalyst on the liquefaction reactions. The iron-based catalyst seems to act as the radical stabilizer rather than the reaction promoter, because the increased quantity of the catalyst and increased H{sub 2} pressure share the common pattern rather than the catalyst enhances the activity, which is associated with increased reaction temperature or residence time. This is more notably observed when the coal species is changed to brown coal. In other words, recombination of the decomposition products by polycondensation is accelerated in the presence of the catalyst in decomposition of brown coal from bituminous coal, with the result that the catalyst effects are more notably observed. Whether this results from difference in age between brown coal and bituminous coal or content of specific types of ashes should be elucidated, because this point is considered to deeply relate to eventual development of the liquefaction reaction system. The FY 1980 program includes the primary screening of different types of iron compounds and tests of some iron-metal-based catalysts. (NEDO)

Novel Magnetically Fluidized Bed Reactor Development for the Looping Process: Coal to Hydrogen Production R&D

Energy Technology Data Exchange (ETDEWEB)

Mei, Renwei; Hahn, David; Klausner, James; Petrasch, Jorg; Mehdizadeh, Ayyoub; Allen, Kyle; Rahmatian, Nima; Stehle, Richard; Bobek, Mike; Al-Raqom, Fotouh; Greek, Ben; Li, Like; Chen, Chen; Singh, Abhishek; Takagi, Midori; Barde, Amey; Nili, Saman

2013-09-30

The coal to hydrogen project utilizes the iron/iron oxide looping process to produce high purity hydrogen. The input energy for the process is provided by syngas coming from gasification process of coal. The reaction pathways for this process have been studied and favorable conditions for energy efficient operation have been identified. The Magnetically Stabilized Porous Structure (MSPS) is invented. It is fabricated from iron and silica particles and its repeatable high performance has been demonstrated through many experiments under various conditions in thermogravimetric analyzer, a lab-scale reactor, and a large scale reactor. The chemical reaction kinetics for both oxidation and reduction steps has been investigated thoroughly inside MSPS as well as on the surface of very smooth iron rod. Hydrogen, CO, and syngas have been tested individually as the reducing agent in reduction step and their performance is compared. Syngas is found to be the most pragmatic reducing agent for the two-step water splitting process. The transport properties of MSPS including porosity, permeability, and effective thermal conductivity are determined based on high resolution 3D CT x-ray images obtained at Argonne National Laboratory and pore-level simulations using a lattice Boltzmann Equation (LBE)-based mesoscopic model developed during this investigation. The results of those measurements and simulations provide necessary inputs to the development of a reliable volume-averaging-based continuum model that is used to simulate the dynamics of the redox process in MSPS. Extensive efforts have been devoted to simulate the redox process in MSPS by developing a continuum model consist of various modules for conductive and radiative heat transfer, fluid flow, species transport, and reaction kinetics. Both the Lagrangian and Eulerian approaches for species transport of chemically reacting flow in porous media have been investigated and verified numerically. Both approaches lead to correct

Appearance of rapid carbon on hydrogasification of coal; Suiten gas ka ni okeru kokassei tanso no hatsugen

Energy Technology Data Exchange (ETDEWEB)

Soneda, Y.; Makino, M. [National Institute for Resources and Environment, Tsukuba (Japan)9] Xu, W. [New Energy and Industrial Technology Development Organization, Tokyo, (Japan)

1998-09-20

The technology of hydrogasification of coal now under development under a State project aims to produce light oil as well as methane-rich high calorie gas through the direct reaction between coal and hydrogen, and is expected to deal with the difficult natural gas demand/supply relationship anticipated for the future. Although it is mandatory to fully understand the reaction between coal and hydrogen for the completion of this technology, yet there are many tasks to be fulfilled. One of the tasks is the elucidation of the behavior of what is named rapid carbon that appears upon the rapid heating of coal in a high-pressure hydrogen environment. In this paper, some interesting findings about the appearance of rapid carbon are reported. When coal is placed in such an environment, volatile components are lost first of all and then the active carbon reaction occurs. When the behavior of active carbon in the reaction is observed, it is found that active carbon is not so small in quantity, and the result of observation of its appearance and deactivation during the reaction justifies an inference that the reaction is regarded as one of the primary reactions in the process of hydrogasification. Accordingly, systematic studies of its physical and chemical features from various viewpoints are necessary. 5 refs., 3 figs., 1 tab.

Possibility of obtaining hydrogen from coal/waste-tyre mixture

Czech Academy of Sciences Publication Activity Database

Kříž, Vlastimil; Brožová, Zuzana; Přibyl, Oldřich; Sýkorová, Ivana

2008-01-01

Roč. 89, č. 11 (2008), s. 1069-1075 ISSN 0378-3820 R&D Projects: GA ČR(CZ) GA105/07/1407 Institutional research plan: CEZ:AV0Z30460519 Keywords : hydrogen * coal * waste tyres Subject RIV: DD - Geochemistry Impact factor: 2.066, year: 2008 www.elsevier.com/locate/fuproc/

Nitrogen evolution during rapid hydropyrolysis of coal

Energy Technology Data Exchange (ETDEWEB)

Xu, W.-C.; Kumagai, M. [Institute of Research and Innovation, Kashiwa (Japan)

2002-12-01

The behavior of nitrogen evolution during rapid hydropyrolysis of coal has been investigated at temperatures ranging from 923 to 1123 K and hydrogen pressure up to 5 MPa using a continuous free fall pyrolyzer. Three coals have been tested in this study. The dominant nitrogen gaseous species is ammonia, together with a little amount of HCN because most of HCN is converted to NH{sub 3} through secondary reactions. The results show that the evolution of nitrogen in coal is caused mainly by devolatilization at temperatures below 973 K, while the evolution of volatile nitrogen in char is accelerated with increasing temperature and hydrogen pressure. The mineral matter in coal act as catalysts to promote the evolution of volatile nitrogen in char to N{sub 2} apparently at high temperatures of 1123 K, as found during pyrolysis of coal by Ohtsuka et al. A pseudo-first-order kinetic model was applied to the evolution of nitrogen in coal during rapid hydropyrolysis. The model shows the activation energy for the nitrogen evolution from coal is 36.6 58.6 kJ/mol while the rate of the nitrogen evolution depends on hydrogen pressure in the order of 0.16 0.24. 41 refs., 11 figs., 3 tabs.

Hydrotreating of heavy distillate derived from Wandoan coal liquefaction

Energy Technology Data Exchange (ETDEWEB)

Sato, Y. [National Institute for Resources and Environment, Osaka (Japan). Hydrocarbon Research Lab.

1997-12-03

The paper reports how the hydrotreatment of coal-derived heavy distillate, obtained from the liquefaction of Wandoan coal using a 1 t/day bench unit, was performed to clarify the effects of catalyst species, reaction temperature and hydrogen pressure on the chemical composition of the product. Experimental runs were carried out over alumina-supported Go-Mo and Ni-Mo catalysts in a fixed bed reactor of 20 ml in volume at 350-390{degree}C under hydrogen pressure of 50-150 kg/cm{sup 2}G with liquid hourly space velocity (LHSV) of 0.5-2 h{sup -1}. The product, as analyzed by gas chromatography, indicated that larger amounts of alkylbenzenes such as toluene or xylenes were produced at the elevated temperature of 390{degree}C, but the concentrations of condensed aromatics such as naphthalene, biphenyl, fluorene and phenanthrene decreased with the severity of reaction conditions. Pyrene and methylpyrene decreased in amount with a shorter LHSV and higher hydrogen pressure, but increased at higher temperature of 390{degree}C. Shorter LHSV and higher hydrogen pressure are much more effective in hydrogenation, hydrodnitrogenation and hydrodeoxygenation than the higher reaction temperature up to 390{degree}C.

Hydrogen isotope exchange reaction rates in tritium, hydrogen and deuterium mixed gases

International Nuclear Information System (INIS)

Uda, Tatsuhiko

1992-01-01

Hydrogen isotope exchange reaction rates in H 2 +T 2 , D 2 +T 2 and H 2 +D 2 +T 2 mixed gases, as induced by tritium decay and beta radiation, were experimentally measured by laser Raman spectrometry. Initially a glass cell was filled with T 2 gas to a pressure of 30-40 kPa, and an equivalent partial pressure of H 2 and/or D 2 was added. The first-order hydrogen isotope exchange reaction rates were 5.54x10 -2 h -1 for H 2 +T 2 mixed gas and 4.76x10 -2 h -1 for D 2 +T 2 . The actual HT producing rate was nearly equivalent to the rate of DT, but the reverse reaction rate of HT was faster than that of DT. The exchange reaction rates between H, D and T showed the isotope effect, HD>HT>DT. The hydrogen isotope exchange reaction rates observed were about twenty times larger than ion formation rates by beta radiation. This result suggests that a free radical chain reaction in hydrogen isotopes is occurring. (orig.)

Depolymerization of coal by oxidation and alkylation; Sanka bunkai to alkyl ka ni yoru sekitan kaijugo

Energy Technology Data Exchange (ETDEWEB)

Tomita, H.; Isoda, T.; Kusakabe, K.; Morooka, S. [Kyushu University, Fukuoka (Japan). Faculty of Engineering; Hayashi, J. [Hokkaido University, Sapporo (Japan). Center for Advanced Research of Energy Technology

1996-10-28

Change in depolymerization degree and coal structure was studied for depolymerization treatment of coal in various alcohol containing aqueous hydrogen peroxide. In experiment, the mixture of Yallourn coal, alcohol and aqueous hydrogen peroxide was agitated in nitrogen atmosphere of normal pressure at 70{degree}C for 12 hours. As the experimental result, the methanol solubility of only 5% of raw coal increased up to 35.2% by hydrogen peroxide treatment, while the yield of insoluble matters also decreased from 94% to 62%. Most of the gas produced during treatment was composed of inorganic gases such as CO and CO2, and its carbon loss was extremely decreased by adding alcohol. From the analytical result of carbon loss in hydrogen peroxide treatment, it was clarified that alkylation advances with introduction of alkyl group derived from alcohol into coal by hydrogen peroxide treatment under a coexistence of alcohol, and depolymerization reaction of coal itself is thus promoted by alcohol. 4 refs., 7 figs., 1 tab.

Japan`s New Sunshine Project. 20. 1995 annual summary of coal liquefaction and gasification

Energy Technology Data Exchange (ETDEWEB)

NONE

1996-10-01

The paper described a summary of the 1995 study on coal liquefaction and gasification under the New Sunshine Project. As for coal liquefaction, a study was made of liquefaction characteristics and catalysts of various coals. Also studied were liquefaction conditions for quality improvement of liquefaction products, an evaluation method of quality of coal liquid, and a utilization method of coal liquid. In order to prevent carbonization and realize effective liquefaction, a study was conducted for elucidation of the reaction mechanism of high pressure hydrogenation. In a 150t/d pilot plant using hydrogen transfer hydrogenation solvents, the NEDOL method was studied using various catalysts and kinds of coals. This is a step prior to data acquisition for engineering, actual construction of equipment and operation. A 1t/d process supporting unit is a unit to support it. The unit conducts studies on slurry letdown valves and synthetic iron sulfide catalysts, screening of Chinese coals, etc. As to coal gasification, the paper added to the basic research the combined cycle power generation using entrained flow coal gasification for improvement of thermal efficiency and environmental acceptability and the HYCOL method for hydrogen production. 68 refs., 40 figs.

Supercritical water gasification of Victorian brown coal: Experimental characterisation

Energy Technology Data Exchange (ETDEWEB)

Yamaguchi, Doki; Aye, Lu [Department of Civil and Environmental Engineering, The University of Melbourne, Vic 3010 (Australia); Sanderson, P. John; Lim, Seng [CSIRO Minerals, Clayton, Vic 3168 (Australia)

2009-05-15

Supercritical water gasification is an innovative thermochemical conversion method for converting wet feedstocks into hydrogen-rich gaseous products. The non-catalytic gasification characteristics of Victorian brown coal were investigated in supercritical water by using a novel immersion technique with quartz batch reactors. Various operating parameters such as temperature, feed concentration and reaction time were varied to investigate their effect on the gasification behaviour. Gas yields, carbon gasification efficiency and the total gasification efficiency increased with increasing temperature and reaction time, and decreasing feed concentration. The mole fraction of hydrogen in the product gases was lowest at 600 C, and increased to over 30 % at a temperature of 800 C. Varying parameters, especially reaction time, did not improve the coal utilisation for gas production significantly and the measured data showed a large deviation from the equilibrium level. (author)

A GIS-based assessment of coal-based hydrogen infrastructure deployment in the state of Ohio

International Nuclear Information System (INIS)

Johnson, Nils; Yang, Christopher; Ogden, Joan

2008-01-01

Hydrogen infrastructure costs will vary by region as geographic characteristics and feedstocks differ. This paper proposes a method for optimizing regional hydrogen infrastructure deployment by combining detailed spatial data in a geographic information system (GIS) with a technoeconomic model of hydrogen infrastructure components. The method is applied to a case study in Ohio in which coal-based hydrogen infrastructure with carbon capture and storage (CCS) is modeled for two distribution modes at several steady-state hydrogen vehicle market penetration levels. The paper identifies the optimal infrastructure design at each market penetration as well as the costs, CO 2 emissions, and energy use associated with each infrastructure pathway. The results indicate that aggregating infrastructure at the regional-scale yields lower levelized costs of hydrogen than at the city-level at a given market penetration level, and centralized production with pipeline distribution is the favored pathway even at low market penetration. Based upon the hydrogen infrastructure designs evaluated in this paper, coal-based hydrogen production with CCS can significantly reduce transportation-related CO 2 emissions at a relatively low infrastructure cost and levelized fuel cost. (author)

Investigation on hydrogen permeation on heat exchanger materials in conditions of steam coal gasification

International Nuclear Information System (INIS)

Moellenhoff, H.

1984-01-01

The permeation of hydrogen through iron-based alloys of different compositions in the temperature range between 700 and 1000 0 C was examined in a laboratory fluidized bed in the conditions of steam/coal gasification. Apart from tests on bright metal samples, measurement in the gasification atmosphere at a maximum pressure of 1 bar were carried out during oxidation of the metal. Experiments in a steam/hydrogen/argon mixture with the same oxidation potential were used for comparison purposes. The hydrogen permeated through the metal sample was taken to a gas chromatograph with argon flushing gas and analyzed there. The investigations on bright steel samples of various composition showed that their permeabilities for hydrogen at temperatures around 900 0 C only differed by a maximum of ± 30%. Effective prevention of permeation is therefore not possible simply by choosing a suitable alloy. If the steels are oxidized during permeation measurements, there is a reduction of the hydrogen permeability by 2 or 3 orders of magnitude due to the oxidation process, both in the steam/coal gasification fluidized bed and in a pure steam/hydrogen/argon mixture. (orig./GG) [de

Role of non-ferrous coal minerals and by-product metallic wastes in coal liquefaction. Technical progress report, March 1, 1981-May 31, 1981

Energy Technology Data Exchange (ETDEWEB)

Garg, D.; Givens, E.N.; Schweighardt, F.K.; Curtis, C.W.; Guin, J.A.; Huang, W.J.; Shridharani, K.

1981-06-01

This report covers results from both tubing-bomb experiments and continuous PDU runs. The following materials were evaluated in the PDU on Elkhorn No. 2 coal from Floyd County, Kentucky: Molybdic oxides; iron oxide; pyrite; pyrite/iron oxide mixture, and iron sulfate impregnation. A base case liquefaction run was also made for direct comparison. All of the above materials were examined at both 825 and 850/sup 0/F. Tubing-bomb experiments are reported on pyrite, red mud, sodium sulfide and organic compounds of cobalt, nickel, molybdenum, zinc, chromium and lead. Significant conclusions were drawn on the catalysis by different materials. Especially significant was the higher level of activity resulting from impregnation versus particle incorporation of the catalyst in the system. Impregnation of coal decreased the hydrocarbon gases yield and increased oil yield. Hydrogen consumption was significantly reduced by impregnation. Addition of molybdic oxide containing 90% MoO/sub 3/ and 10% silica to coal liquefaction reaction mixture had the following effect: coal conversion increased, oil yield increased by more than a factor of two at both temperatures, hydrogen consumption increased, solvent/oil fraction showed substantial increase in hydrogen content, and molybdenum in the resulting liquefaction residue was apparently transformed into an amorphous material. A more thorough evaluation of completely sulfided molybdenum will be made to see if its activity increases. In the tubing-bomb experiments organic compound of molybdenum showed the highest activity for coal conversion and oil production. Significant synergism was noted between red mud and sodium sulfide in the coal liquefaction reaction.

The hydrogasification of lignite and sub-bituminous coals

Science.gov (United States)

Bhatt, B.; Fallon, P. T.; Steinberg, M.

1981-02-01

A North Dakota lignite and a New Mexico sub-bituminous coal have been hydrogenated at up to 900°C and 2500 psi hydrogen pressure. Yields of gaseous hydrocarbons and aromatic liquids have been studied as a function of temperature, pressure, residence time, feed rates and H2/coal ratio. Coal feed rates in excess of 10 lb/hr have been achieved in the 1 in. I. D.×8 ft reactor and methane concentration as high as 55% have been observed. A four-step reaction model was developed for the production and decomposition of the hydrocarbon products. A single object function formulated from the weighted errors for the four dependent process, variables, CH4, C2H6, BTX, and oil yields, was minimized using a program containing three independent iterative techniques. The results of the nonlinear regression analysis for lignite show that a first-order chemical reaction model with respect to C conversion satisfactorily describes the dilute phase hydrogenation. The activation energy for the initial products formation was estimated to be 42,700 cal/gmole and the power of hydrogen partial pressure was found to be +0.14. The overall correlation coefficient was 0.83. The mechanism, the rate expressions, and the design curves developed can be used for scale-up and reactor design.

Coliquefaction of coal, tar sand bitumen and plastic (interaction among coal, bitumen and plastic); Sekitan/tar sand bitumen/plastic no kyoekika ni okeru kyozon busshitsu no eikyo

Energy Technology Data Exchange (ETDEWEB)

Yamaguchi, H.; Okuyama, Y.; Matsubara, K. [NKK Corp., Tokyo (Japan); Kamo, T.; Sato, Y. [National Institute for Resources and Environment, Tsukuba (Japan)

1996-10-28

For the improvement of economy, coliquefaction of coal, tar sand bitumen and plastic was performed under low hydrogen pressure, to investigate the influence of interaction among these on the liquefaction characteristics. For comparison, coliquefaction was also performed under the hydrogen pressure same as the NEDOL process. In addition, for clarifying its reaction mechanism, coliquefaction of dibenzyl and plastic was performed as a model experiment, to illustrate the distribution of products and composition of oil, and to discuss the interaction between dibenzyl and various plastics, and between various plastics. Under direct coal liquefaction conditions, coprocessing of Tanito Harum coal, Athabasca tar sand and plastic was carried out under low hydrogen pressure with an autoclave. The observed value of oil yield was higher than the calculated value based on the values from separate liquefaction of coal and plastic, which suggested the interaction between coal and the mixed plastic. The results of coliquefaction of coal, tar sand bitumen and plastic could be explained from the obtained oil yield and its composition by the coliquefaction of dibenzyl and plastic. 2 refs., 3 tabs.

Exchange reaction between tritiated hydrogen and water vapor

International Nuclear Information System (INIS)

Yamada, Koichi; Takano, Kenichi; Watanabe, Tamaki.

1979-01-01

Exchange reaction of tritiated hydrogen to water vapor under the condition of tritium gas concentration between 1 μCi/l and 1 mCi/l was studied. Tritium gas with hydrogen gas of 5 Torr and water of 20 mg were enclosed in a Pyrex glass ampule with volume of about 100 ml. The mixed gas with water vapor was heated with electric furnace. The heating time was between 2 and 100 hr, and the temperature was 776, 725, 675, 621, and 570.5 0 K. After heating, tritiated water was trapped with liquid nitrogen, and counted with a liquid scintillation counter. The radioactive concentration of initial tritiated hydrogen was measured with a calibrated ionization chamber. The main results obtained are as follows; 1) the concentration of produced tritiated water is well proportioned to that of initial tritiated hydrogen, 2) the activation energy of exchange reaction from tritiated hydrogen to tritiated water is 26.2 kcal/mol and that of inverse reaction is 27.4 kcal/mol, 3) the reaction rate at room temperature which calculated with activation energy is 1.04 x 10 -13 day -1 , and then exchange reaction at room temperature is negligible. (author)

Novel bimetallic dispersed catalysts for temperature-programmed coal liquefaction. Technical progress report, October 1995--December 1995

Energy Technology Data Exchange (ETDEWEB)

Song, C.; Cooke, W.S.; Schmidt, E.; Schobert, H.H.

1996-02-01

Coal liquefaction involves cleavage of methylene, dimethylene and ether bridges connecting polycyclic aromatic units and the reactions of various oxygen functional groups. Here in this quarterly, we report on the catalytic effects of several molybdenum-, cobalt-, and iron-containing compounds in the reactions of dibenzothiophene (DBT) with hydrogen under conditions related to coal liquefaction. The catalytic effects of several molybdenum-, cobalt-, and iron-containing compounds have been examined in the hydrogenation and hydrodesulfurization reactions of dibenzothiophene (DBT) under conditions related to coal liquefaction. The metal compounds are candidate catalyst precursors for direct coal liquefaction. The reactions were carried out in batch microautoclave reactors at 400{degrees}C for 30 minutes with 6.9 MPa (cold) hydrogen pressure, and tridecane solvent. A metal loading of 0.5 mol% resulted in low conversion and only hydrogenation. Addition of sulfur in 4:1 molar ratio led only to a minor increase in conversion and hydrodesulfurization. The use of a higher boiling solvent (octadecane vs. tridecane) was beneficial in providing increased conversion, hydrodesulfurization, and hydrogenation. An increase in metal compound loading to 36.2 mol% led to a dramatic increase in conversion, hydrodesulfurization, and hydrocracking. Molybdenum hexacarbonyl at 36 mol% loading, with added sulfur at 6:1 ratio and octadecane solvent, gave 100% conversion of dibenzothiophene to other products with 100% hydrodesulfurization. Ammonium tetrathiomolybdate and molybdenum(III) chloride are less active under similar conditions. A cobalt-molybdenum thiocubane complex gave unexpectedly low conversions. Iron and cobalt carbonyls also provided very low conversions, even with added sulfur.

Report on the research achievements in the Sunshine Project in fiscal 1992. Studies on liquefying reaction in coal, and reforming and utilization of the products; 1992 nendo sekitan no ekika hanno to seiseibutsu no kaishitsu riyo no kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1983-03-01

This paper describes the achievements in the Sunshine Project in fiscal 1992 in studies on liquefying reaction in coal, and reforming of the products. High conversion rate was attained in the co-treatment of bitumen and Taiheiyo coals by using highly dispersing oil soluble solvent without performing coking, even if the asphaltene concentration is high. When a very highly acidic trifluoromethane sulfonic acid catalyst is used, hydrogenation and conversion to solubilized low molecules is possible even with a solvent having low affinity with coal. Swelling effect by tetralin is remarkable in pulverized coal, and the conversion rate was improved greatly under high-pressure hydrogen. When naphtha of the Wandoan coal liquefied oil is given extraction treatment with base and acid/base, the gas production decreases noticeably when hydrogenating and refining the extracts, resulting in reduced hydrogen consumption and improved oil recovery rate. Furthermore, when the extraction treated naphtha is hydrogenated, denitrification can be achieved completely. Kerosene and light oil liquefied from the Wandoan coal were cracked by fluidity contact, whereas the light gravity product yield due to the decomposition was found low because of containing a great amount of two-ring aromatics. The pressure crystal deposition method using solvent is effective in separation of high-melting point compounds including anthracene from heavy gravity oil. (NEDO)

Novel Concept For Hydrogen And CO2 Separation

International Nuclear Information System (INIS)

Adam Campen; Kanchan Mondal; Tomasz Wiltowski; Tomasz Wiltowski

2006-01-01

The process was developed for the separation of hydrogen from coal gasification based syngas components for end uses such as clean energy production. The process is flexible such that it can be used within the gasifier to separate hydrogen or as a separate unit process, depending on the requirements of the process design. The basic idea of the research was to design and apply solids to be used in a fixed bed reactor that will increase the hydrogen yield as well as capture greenhouse gases in its matrix through reaction. The end product envisioned in this process is pure hydrogen. The spent solids were then regenerated thermo neutrally while releasing sequestration-ready carbon dioxide. The research involved the validation of the process along with the evaluation of the process parameters to maximize the hydrogen content in the product stream. The effect of sulfur (present as H 2 S) in the product stream on the process efficiency was also evaluated. Most importantly, the solids were designed such that they have the maximum selectivity to the beneficial reactions while maintaining their structure and activity through the reaction-regeneration cycles. Iron (created by reduction of hematite with syngas) was selected as the Boudouard catalyst and CaO was selected as the carbon dioxide removal material. Thermogravimetric (TG) and Temperature Programmed Reduction (TPR) Analysis were utilized to evaluate the reaction rate parameters, and capacity for CO 2 . Specially synthesized CaO (wherein the surface properties were modified) was found to provide better capacity and reaction rates as compared to commercially available CaO. In addition, these specially synthesized CaO-based sorbent showed lower deactivation over multiple cycles. Experiments were also performed with different compositions of syngas to identify the optimal conditions for pure H 2 production. Finally, simultaneous coal gasification and hydrogen enrichment experiments were conducted. It was found that for a

Reactions of oxygen containing structures in coal pyrolysis

Energy Technology Data Exchange (ETDEWEB)

Hodek, W.; Kirschstein, J.; Van Heek, K.-H. (DMT-Gesellschaft fuer Forschung und Pruefung mbH, Essen (Germany, F.R.))

1991-03-01

In coal pyrolysis O-containing structures such as ether bridges and phenolic groups play an important role. Their reactions were studied by non-isothermal pyrolysis of a high volatile bituminous coal and some model polymers with gas chromatographic detection of the gaseous pyrolysis products. The coal was separated into the maceral groups vitrinite, exinite and inertinite, which showed markedly different pyrolysis behaviour. The formation of CO, methane and benzene was measured versus temperature. By comparison with polyphenyleneoxide and phenol-formaldehyde resins, it was found that the main volatilization, during which most of the tar is evolved, is initiated by cleavage of alkyl-aryl-ethers. Rearrangements of the primarily formed radicals lead to the formation of CO and methane at higher temperatures. 5 refs., 8 figs., 1 tab.

Report on the achievements in the Sunshine Project in fiscal 1992 on research and development of coal energy. Studies on coal liquefying catalysts and a method for analyzing liquefied oil; 1992 nendo sekitan ekikayo shokubai oyobi ekikayu bunsekiho no kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1983-03-01

This paper describes the achievements in the Sunshine Project in fiscal 1992 on research of coal liquefying catalysts and a method for analyzing liquefied oil. Oxidative regeneration was performed on an Ni-W based waste catalyst used in reforming (hydrogenating) coal liquefied light oil fraction. If the regeneration can be done with low oxygen partial pressure and step-wise temperature rise, the activity after the regeneration can be restored to the level of a new catalyst, with sulfate production being suppressed. Model reaction was discussed by changing the amount of W and Mo carried by alumina. Suppressing the carrying amount can control the hydrogenation activity and the hydrogenating decomposition activity. Comparison was given on compositions of woods and such hydrogenation products as peat and coal. Analysis was performed on composition of the circulating solvent used in the NEDO bituminous coal liquefying PSU. In the initial stage of the operation, the solvent had higher concentrations in the groups of compounds not having alkyl groups, and compounds having the alkyl groups increased in the end of the operation. Discussions were given also on index materials to control the operation of solvent hydrogenating process. Efficient preparation conditions were discussed on an iron sulfide particulate catalyst that utilizes surface reaction of a solid metal while mechanical impact such as vibration is being given. Effects of the catalyst concentration in coal liquefaction were experimented by using oil soluble molybdenum, wherein no change was found in the reaction mechanism. (NEDO)

Report on the research achievements in the Sunshine Project in fiscal 1990. Studies on coal liquefying reaction, and reforming and utilization of the products; 1990 nendo sekitan no ekika hanno to seiseibutsu no kaishitsu riyo no kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1991-03-01

This paper describes the achievements in the Sunshine Project in fiscal 1990 on research of coal liquefying reaction. The research contributes to developing a coal liquefaction technology as one of the methods for manufacturing clean energy and chemical raw materials from coal. In the fundamental study on the liquefaction, primarily liquefied heavy constituents in different types of coals were divided into such constituents as HI, TI, and THFI to discuss the performance and coking behavior of each constituent as solvent. Furthermore, effects of hydrogenation treatment were also elucidated. Decomposing reaction was performed on different heavy products to discuss effects of the reaction conditions. In the liquefying reaction using petroleum-based heavy oil as solvent, different shale oils were used in experiments for comparison with the case of using tar sand bitumen. In the study of reforming the product, comparison was carried out on reactions in hydrogenation treatment and contact decomposition of medium to heavy fractions of liquefied oil. A separation experiment was made on hetero compounds by means of solvent extraction and pressure crystallization of liquefied oil naphtha and light oil fraction. Effects of additive were investigated in an engine test on the stabilized and balanced light oil fraction. Discussions were given on high level utilization of heat treated oil recovered from residues in liquefaction distillation. (NEDO)

Effect of reaction temperature on the PM10 features during coal combustion

International Nuclear Information System (INIS)

Sui, J.C.; Du, Y.G.; Liu, Q.C.

2008-01-01

Coal-fired power plants produce fine fly ash consisting of particulate matter (PM). Particulate matter less than 10 micrometers in aerodynamic diameter (PM 1 0) is of significant concern because of its adverse environmental and health impacts. This paper studied the effect of reaction temperature on particulate matter (PM 1 0) emission and its chemical composition. The emission characteristics and elemental partition of PM 1 0 from coal combustion were investigated in a drop tube furnace. The paper discussed the experimental apparatus and conditions as well as the coal properties and sample analysis. Liupanshui (LPS) bituminous coal from China was used for the study. The fuel composition of LPS coal and the composition of low temperature ash of Chinese LPS coal were described. The paper also presented the results of the study with reference to particle size distribution and emission characteristic of PM 1 0; elemental partition within PM 1 0; and effect of the reaction temperature on elemental partition within PM 1 0. The PM mass size distribution was found to be bimodal. 14 refs., 2 tabs., 6 figs

Catalytic activation of molecular hydrogen in alkyne hydrogenation reactions by lanthanide metal vapor reaction products

International Nuclear Information System (INIS)

Evans, W.J.; Bloom, I.; Engerer, S.C.

1983-01-01

A rotary metal vapor was used in the synthesis of Lu, Er, Nd, Sm, Yb, and La alkyne, diene, and phosphine complexes. A typical catalytic hydrogenation experiment is described. The lanthanide metal vapor product is dissolved in tetrahydrofuran or toluene and placed in a pressure reaction vessel 3-hexyne (or another substrate) is added, the chamber attached to a high vacuum line, cooled to -196 0 C, evacuated, warmed to ambient temperature and hydrogen is added. The solution is stirred magnetically while the pressure in monitored. The reaction products were analyzed by gas chromatography. Rates and products of various systems are listed. This preliminary survey indicates that catalytic reaction chemistry is available to these metals in a wide range of coordination environments. Attempts to characterize these compounds are hampered by their paramagnetic nature and their tendency to polymerize

Research of coal flash hydropyrolysis

Energy Technology Data Exchange (ETDEWEB)

Zhu, Z.; Zhu, H.; Wu, Y.; Tang, L.; Cheng, L.; Xu, Z. [East China University of Science and Technology, Shanghai (China)

2001-02-01

Using x-ray photoelectron spectroscopy (XPS) analyses the organic sufur of seven different Chinese coals and their semi-cokes from flash hydropyrolysis were studied. The results showed that the organic sulfur in coal was alkyal sulfur and thiophene with the peak of XPS located in 163.1-163.5 eV and 164.1-164.5 eV. The relative thiophene content in coal increased with the coal rank. The type of organic sulfur in semi-coke in flash hydropyrolysis was generally thiophene species; its XPS peak also located in 164.1-164.5 eV, and was in accord with its corresponding coal. Total alkyl sulfur and some thiophene sulfur were removed during the flash hydropyrolysis process. The alkyl sulfur had very high activity in hydrogenation reaction. Flash hydropyrolysis was an important new clean-coal technique and had notable desulfurization effect. 13 refs., 2 figs., 4 tabs.

The reaction of uranium with moist hydrogen

International Nuclear Information System (INIS)

Pearce, R.J.; Kay, P.

1987-10-01

The reaction of uranium in moist hydrogen at a total pressure of 101 kPa over the temperature range 105 0 -200 0 C and water vapour pressures in the range 5-100 kPa has been examined in a limited thermogravimetric study. It has been shown that initially there is a period during which only linear kinetics are observed with a rate similar to that exhibited in similarly moist argon, i.e. hydrogen has no apparent effect on the reaction. At water vapour pressures of and above 49 kPa, corresponding to hydrogen:water vapour pressure ratios in the range 1:1 to 1:100, over the exposure times studied (not > 20h) only such linear kinetics are observed. Below this water vapour pressure and after an initial period of linear kinetics a continuously increasing reaction rate was observed in some instances resulting from rapid attach on localised areas. The localised reaction rates were approximately 2-3 orders of magnitude faster than the original linear reaction kinetics and the interaction rates in either moist argon or moist air. Comparison with a single experiment carried out at 150 0 C indicated that breakaway rates were approaching that in dry hydrogen. During breakaway attack there was a significant increase in the relative amounts of uranium hydride formed. The duration of the linear kinetics phase was extended by pre-oxidation of the uranium surface, decreasing temperature at a constant water vapour pressure, or increasing water vapour pressure (or water vapour: hydrogen pressure ratio) at a constant temperature. (author)

FY 1980 Report on results of Sunshine Project by Coal Group. Basic researches on coal liquefaction techniques by solvolysis; 1980 nendo sunshine keikaku sekitanhan hokokusho. Sekitan no solvolysis ekika gijutsu no kiso kenkyu

Energy Technology Data Exchange (ETDEWEB)

NONE

1981-07-01

The basic experimental researches were carried out for coal liquefaction by solvolysis. The studied items include hydrogenation conditions for treating the primary liquefied products, asphalt, pitch and model solvents (e.g., anthracene oil) in the presence of a commercial catalyst, solvolysis conditions for finely divided, molten coal using a hydrogenation recycled solvent, hydrotreating solvents, analysis of solvolysis-liquefied products, and liquefaction capacity of fractionated solvents for finely divided, molten coal. The studied items for separation of minerals include settlement at high temperature of the solid residue from the first liquefaction stage, and changed coal particle size distribution as a result of the first-stage liquefaction reactions in the presence of a hydrogenation solvent. The experimental study results indicate that conversion of finely divided molten coal into asphaltenes and preasphaltenes is notably accelerated in the phase-II coal liquefaction process by solvolysis, when a hydrotreating solvent is used for the first stage solvolysis process. (NEDO)

Achievement report for fiscal 1997 on research under New Sunshine Program. Research on heavy oil hydrogenation and heavy oil/coal coprocessing; 1997 nendo jushitsuyu no suisoka shori narabi ni jushitsuyu/sekitan no coprocessing ni kansuru kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1998-02-01

The achievements of the Hokkaido National Industrial Research Institute relating to the titled research are reported. In the study relating to the structural properties of heavy oils, the structures of products of Green River shale oil carbonization is analyzed, heterofunctional groups contained in the oil are subjected to FT-IR (Fourier transform infrared) spectroscopic analysis, and their forms of existence are investigated. In the study relating to the hydrogenation process of heavy oils, findings obtained from experiments are reported, which involve the processing of shale oil by hydrogenation and changes brought about in its chemical structure, hydrogenation of oil sand bitumen, kinetics of hydrocracking of bitumen at a high conversion rate, and a lumping model for bitumen hydrocracking reaction. In the study relating to the coprocessing of heavy oil/coal, coprocessing is experimented for coal and shale oil, coal and oil sand bitumen, and other combinations, and the results are reported. Also, a review is made of the transfer of hydrogen in coprocessing. (NEDO)

Determination of Se at low concentration in coal by collision/reaction cell technology inductively coupled plasma mass spectrometry

Science.gov (United States)

Henn, Alessandra S.; Rondan, Filipe S.; Mesko, Marcia F.; Mello, Paola A.; Perez, Magali; Armstrong, Joseph; Bullock, Liam A.; Parnell, John; Feldmann, Joerg; Flores, Erico M. M.

2018-05-01

A method is proposed for the determination of selenium at low concentration in coal by collision/reaction cell technology inductively coupled plasma mass spectrometry (CRC-ICP-MS). Samples were decomposed by high pressure microwave-assisted wet digestion (MAWD) using 250 mg of coal, a mixture of 5 mL of 14.4 mol L-1 HNO3 and 1 mL of 40% HF and 70 min of heating program (200 °C and 40 bar). Hydrogen gas used in the collision/reaction cell was investigated to minimize the argon-based interferences at m/z 77, 78 and 80. The rejection parameter (RPq) and the H2 gas flow rate were set to 0.45 and 4.8 mL min-1, respectively. The use of H2 in the cell resulted in other polyatomic interferences, such as 76Ge1H+, 79Br1H+ and 81Br1H+, which impaired Se determination using 77Se, 80Se and 82Se isotopes, thus Se determination was carried out by monitoring only 78Se isotope. Selenium was determined in certified reference materials of coal (NIST 1635 and SARM 20) and an agreement better than 95% was observed between the results obtained by CRC-ICP-MS and the certified values. Under optimized conditions, the instrumental limit of detection was 0.01 μg L-1 and the method limit of detection was 0.01 μg g-1, which was suitable for Se determination at very low concentration in coal.

Report on the achievements in the Sunshine Project in fiscal 1988. Coal energy (Studies on coal liquefying catalysts and a method for analyzing liquefied oil); 1988 nendo sekitan ekikayo shokubai oyobi ekikayu binsekiho no kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1989-03-01

The present study, as part of the studies on coal liquefying technologies, was originally intended to develop optimal catalysts that make it possible to manufacture a liquid fuel from hydrogenation treatment of coal, and establish optimal reaction operation for the liquefaction process. To achieve the intentions, studies were moved forward on the following four sub-themes: (1) fundamentals and developmental research on catalysts for the direct liquefaction, (2) chemical structures of organic constituents in the coal liquefaction process, (3) research on the optimal reaction operation in the direct coal liquefaction process, and (4) studies on nature and behavior of ash constituent in the coal liquefaction process. The current fiscal year has performed the discussions on the following items based on the achievements attained by fiscal 1987: 1. as a study on liquefaction catalysts, (1) a study on properties of liquefaction catalysts, and (2) a study on characteristics of the liquefying reaction; 2. as a study on the analytic method, (1) a study on the liquefying reaction analyzing method, and (2) a study on the liquefied oil property analyzing method. In Item 1-(1), a prototype zeolite-based catalyst having high hydrogenating decomposition activity was used to execute a reaction to lighten the liquefied oil. As a result, it was revealed that the liquefied oil can be lightened efficiently by having the oil go through a two-stage reforming reaction. (NEDO)

Hydrogen production via thermochemical water-splitting by lithium redox reaction

International Nuclear Information System (INIS)

Nakamura, Naoya; Miyaoka, Hiroki; Ichikawa, Takayuki; Kojima, Yoshitsugu

2013-01-01

Highlights: •Hydrogen production via water-splitting by lithium redox reactions possibly proceeds below 800 °C. •Entropy control by using nonequilibrium technique successfully reduces the reaction temperature. •The operating temperature should be further reduced by optimizing the nonequilibrium condition to control the cycle. -- Abstracts: Hydrogen production via thermochemical water-splitting by lithium redox reactions was investigated as energy conversion technique. The reaction system consists of three reactions, which are hydrogen generation by the reaction of lithium and lithium hydroxide, metal separation by thermolysis of lithium oxide, and oxygen generation by hydrolysis of lithium peroxide. The hydrogen generation reaction completed at 500 °C. The metal separation reaction is thermodynamically difficult because it requires about 3400 °C in equilibrium condition. However, it was indicated from experimental results that the reaction temperature was drastically reduced to 800 °C by using nonequilibrium technique. The hydrolysis reaction was exothermic reaction, and completed by heating up to 300 °C. Therefore, it was expected that the water-splitting by lithium redox reactions was possibly operated below 800 °C under nonequilibrium condition

Achievement report for fiscal 1982 on Sunshine Program. Coal energy; 1982 nendo sunshine keikaku seika hokokusho. Sekitan energy

Energy Technology Data Exchange (ETDEWEB)

NONE

1982-07-01

This research program consists of (1) the solid catalyst-aided reforming of various petroleum based oils and heavy coal oils into Solvolysis solvents and the secondary hydrogenolysis, (2) a search for pre-treatment for improvement on the sub-bituminous coal liquefaction yield, and (3) a search for measures for improvement on the brown coal liquefaction yield. Studied in this fiscal year are (1) the high-temperature short-contact time liquefaction of brown coal, (2) the role of catalyst support for selective upgrading of SRC (solvent refined coal), and (3) reforming of thermal melting feature of low rank coal by preliminary deashing at room temperature. In relation with Item (1), it is found that the dehydrogenation or reaction to carbonization of molecules involved in hydrogen donation is structure-sensitive but that thermolysis of coal is accelerated under high-temperature conditions to allow transfer hydrogen to contribute uniformly. It is deemed also that matching is excellent between hydrogen transfer and thermolysis, that the solvent dissolution level is elevated, and that the reaction short in duration inhibits consecutive polymerization reaction. These are supposed to be effective in improving on the liquefaction yield and in rendering heavy constituents lighter. In relation with Item (2), it is found that the experimentally manufactured catalysts are effective in reducing the weight of heavy constituents. In relation with Item (3), a carbonization reforming method is experimentally implemented in which the ash that affects carbonization is further removed by a pre-treatment at room temperature. (NEDO)

Catalysis in coal liquefaction: New directions for research

Energy Technology Data Exchange (ETDEWEB)

Derbyshire, F.J.

1988-06-01

The economic viability and operability of processes to convert coals to useful liquid products could be greatly improved by the successful development and application of suitable catalysts. New and improved catalysts can lead to more favorable process economics by increasing the rates of reaction and product selectively and by lowering reaction temperatures and pressures. Hydrogenation catalysts, such as certain metal sulfides, may function by providing a source of H atoms through the dissociation of molecular hydrogen. The H atoms can promote bond cleavage reactions and assist in stabilizing the products of these reactions. The partial pressure of H/sub 2/S is important to the catalyst mechanism. Acid catalysts, such as metal halides, promote bond cleavage by an ionic mechanism. In general, they are not particularly active hydrogenation catalysts which create the potential for the stabilization of cracked products through the formation of high molecular weight adducts. Consideration has been given to the limitations of these catalysts and to approaches which could lead to improvements in their performance and utilization. Multicomponent systems appear to offer excellent prospects for the development of more active and selective catalysts. Existing supported catalysts are quite adequate to the task of hydroprocessing distillate coal liquids. In the presence of high boiling and nondistillable coal-derived liquids they are rapidly deactivated by the deposition of carbonaceous materials and metals. One prospective solution to this problem is to generate feeds which are more amenable to upgrading by enhanced catalytic control of the dissolution process. There is also a need for the development of supported catalysts which are resistant to deactivation. 275 refs.

Hydrogen transfer reactions of interstellar Complex Organic Molecules

Science.gov (United States)

Álvarez-Barcia, S.; Russ, P.; Kästner, J.; Lamberts, T.

2018-06-01

Radical recombination has been proposed to lead to the formation of complex organic molecules (COMs) in CO-rich ices in the early stages of star formation. These COMs can then undergo hydrogen addition and abstraction reactions leading to a higher or lower degree of saturation. Here, we have studied 14 hydrogen transfer reactions for the molecules glyoxal, glycoaldehyde, ethylene glycol, and methylformate and an additional three reactions where CHnO fragments are involved. Over-the-barrier reactions are possible only if tunneling is invoked in the description at low temperature. Therefore the rate constants for the studied reactions are calculated using instanton theory that takes quantum effects into account inherently. The reactions were characterized in the gas phase, but this is expected to yield meaningful results for CO-rich ices due to the minimal alteration of reaction landscapes by the CO molecules. We found that rate constants should not be extrapolated based on the height of the barrier alone, since the shape of the barrier plays an increasingly larger role at decreasing temperature. It is neither possible to predict rate constants based only on considering the type of reaction, the specific reactants and functional groups play a crucial role. Within a single molecule, though, hydrogen abstraction from an aldehyde group seems to be always faster than hydrogen addition to the same carbon atom. Reactions that involve heavy-atom tunneling, e.g., breaking or forming a C-C or C-O bond, have rate constants that are much lower than those where H transfer is involved.

Cathodic over-potential and hydrogen partial pressure coupling in hydrogen evolution reaction of marine steel under hydrostatic pressure

International Nuclear Information System (INIS)

Xiong, X.L.; Zhou, Q.J.; Li, J.X.; Volinsky, Alex A.; Su, Y.J.

2017-01-01

Highlights: •Hydrostatic pressure increases the Volmer and the Heyrovsky reactions rates. •Hydrostatic pressure decreases the Tafel reaction rate. •Hydrogen adsorption conditions change with pressure under −1.2 and −1.3 V SSE . •Under −1.2 and −1.3 V SSE , the Heyrovsky reaction dominates the hydrogen recombination. •Under −1.0 and −1.1 V SSE , the Tafel reaction dominates the hydrogen recombination. -- Abstract: A new electrochemical impedance spectroscopy (EIS) model, which considers both the Tafel recombination and the Heyrovsky reaction under permeable boundary conditions, was developed to characterize the kinetic parameters of the hydrogen evolution reaction (HER) under hydrostatic pressure. The effect of the hydrostatic pressure on the kinetic parameters of the HER and the permeation of A514 steel in alkaline solution were measured using potentiodynamic polarization, the Devanathan cell hydrogen permeation, and EIS. The hydrostatic pressure accelerates the Volmer reaction and inhibits the Tafel recombination, which increases the number of adsorbed hydrogen atoms. On the other hand, the pressure accelerates the Heyrovsky reaction, which decreases the amount of adsorbed hydrogen atoms. At 10 to 40 MPa hydrostatic pressure within the −1.0 to −1.1 V SSE cathodic potential region, the HER is controlled by hydrogen partial pressure, and hydrogen adsorption is the Langmuir type. Within the −1.2 to −1.3 V SSE cathodic potential region, the HER is controlled by the potential, and hydrogen adsorption gradually transfers from the Langmuir type to the Temkin type with increasing hydrostatic pressure.

Hydrogen addition reactions of aliphatic hydrocarbons in comets

Science.gov (United States)

Kobayashi, Hitomi; Watanabe, N.; Watanabe, Y.; Fukushima, T.; Kawakita, H.

2013-10-01

Comets are thought as remnants of early solar nebula. Their chemical compositions are precious clue to chemical and physical evolution of the proto-planetary disk. Some hydrocarbons such as C2H6, C2H2 and CH4 in comets have been observed by using near-infrared spectroscopy. Although the compositions of C2H6 were about 1% relative to the water in normal comets, there are few reports on the detection of C2H6 in ISM. Some formation mechanisms of C2H6 in ISM have been proposed, and there are two leading hypotheses; one is the dimerizations of CH3 and another is the hydrogen addition reactions of C2H2 on cold icy grains. To evaluate these formation mechanisms for cometary C2H6 quantitatively, it is important to search the C2H4 in comets, which is the intermediate product of the hydrogen addition reactions toward C2H6. However, it is very difficult to detect the C2H4 in comets in NIR (3 microns) regions because of observing circumstances. The hydrogen addition reactions of C2H2 at low temperature conditions are not well characterized both theoretically and experimentally. For example, there are no reports on the reaction rate coefficients of those reaction system. To determine the production rates of those hydrogen addition reactions, we performed the laboratory experiments of the hydrogenation of C2H2 and C2H4. We used four types of the initial composition of the ices: pure C2H4, pure C2H2, C2H2 on amorphous solid water (ASW) and C2H4 on ASW at three different temperatures of 10, 20, and 30K. We found 1) reactions are more efficient when there are ASW in the initial compositions of the ice; 2) hydrogenation of C2H4 occur more rapid than that of C2H2.

Competitive reaction in hydrodenitrogenation and hydrodeoxygenation of coal-derived naphtha

Energy Technology Data Exchange (ETDEWEB)

Machida, M. (Idemitsu Kosan Co. Ltd., Tokyo (Japan). Central Research Lab.); Sakao, Y.; Ono, S. (Idemitsu Kosan Co. Ltd., Tokyo (Japan))

1994-03-01

The naphtha fraction derived from coal is expected to be one of the most suitable blending stocks for motor gasoline because of its high contents of cyclic hydrocarbons. However, since the contents of nitrogen and oxygen are high in the coal naphtha, the amounts of these elements must be reduced to acceptable levels. In this study, aiming to clarify the hydrodenitrogenation (HDN) and hydrodeoxygenation (HDO) performances of practical feed stocks, HDN and HDO of coal-derived naphtha and its model compounds were examined by using a catalyst Ni-Mo/Al2O3 group. There are tree types of nitrogen compounds, pyridine, pyrrole and aniline, in the coal-derived naphtha. Aniline type nitrogen compounds in the coal-derived naphtha are more resistant to HDN than pyridine type compounds, though aniline is more reactive than pyridine when the reaction is carried out individually. 14 refs., 7 figs., 3 tabs.

Kinetics of hydrogen isotope exchange reactions

International Nuclear Information System (INIS)

Gold, V.; McAdam, M.E.

1975-01-01

Under the influence of tritium β-radiation, 1,4-dioxan undergoes hydrogen exchange with the solvent water. The inhibition of the reaction by known electron scavengers (Ag + , Cu 2+ , Ni 2+ , Co 2+ , Zn 2+ , H 3 + O) and also by species with high reactivity towards hydroxyl radicals but negligible reactivity towards solvated electrons (N 3 - , Br - , SCN - ) has been examined in detail. γ-irradiation similarly induces hydrogen exchange. The action of scavengers is interpreted as requiring the involvement of two separately scavengeable primary radiolysis products in the sequence of reactions leading to exchange. The presence of electron scavengers, even at high concentration, does not totally inhibit the exchange, and a secondary exchange route, involving a low vacancy state of inhibitor cations, is considered responsible for the 'unscavengeable' portion of the reaction, by providing an alternative exchange route. Analogies are drawn between the exchange reaction and other radiation-induced reactions that are thought to involve spur processes. Some implication of radiation-chemical studies in water-alcohol mixtures are indicated. (author)

Reaction between vanadium trichloride oxide and hydrogen sulfide

International Nuclear Information System (INIS)

Yajima, Akimasa; Matsuzaki, Ryoko; Saeki, Yuzo

1978-01-01

The details of the reaction between vanadium trichloride oxide and hydrogen sulfide were examined at 20 and 60 0 C. The main products by the reaction were vanadium dichloride oxide, sulfur, and hydrogen chloride. In addition to these products, small amounts of vanadium trichloride, vanadium tetrachloride, disulfur dichloride, and sulfur dioxide were formed. The formations of the above-mentioned reaction products can be explained as follows: The first stage is the reaction between vanadium trichloride oxide and hydrogen sulfide, 2VOCl 3 (l) + H 2 S(g)→2VOCl 2 (s) + S(s) + 2HCl(g). Then the resulting sulfur reacts with the unreacted vanadium trichloride oxide, 2VOCl 3 (l) + 2S(s)→2VOCl 2 (s) + S 2 Cl 2 (l). The resulting disulfur dichloride subsequently reacts with the unreacted vanadium trichloride oxide, 2VOCl 3 (l) + S 2 Cl 2 (l)→2VCl 4 (l) + S(s) + SO 2 (g). The resulting vanadium tetrachloride reacts with the sulfur formed during the reaction, 2VCl 4 (l) + 2S(s)→2VCl 3 (s) + S 2 Cl 2 (l), and also reacts with hydrogen sulfide, 2VCl 4 (l) + H 2 S(g)→2VCl 3 (s) + S(s) + 2HCl(g). (auth.)

Studies in coal liquefaction with application to the SRC and related processes. Quarterly report, August 1981-October 1981. [Using model compounds

Energy Technology Data Exchange (ETDEWEB)

Tarrer, A. R.; Guin, J. A.; Curtis, C. W.

1981-01-01

Model compound reactions were studied to evaluate the effects of mass transfer, solvent type, solvent blending, hydrogen partial pressure, temperature, reactant concentration, additive loading and its preparation, etc. Naphthalene hydrogenation and benzothiophene hydrodesulfurization were investigated under the conditions comparable to commercial coal liquefaction and related processes. Both of these reaction systems were observed to be surface reaction controlled under the reaction conditions used in this work. Certain aromatic compounds were observed to cause a reduction in the reaction rates of naphthalene and benzothiophene. Single stage coal dissolution was investigated using tetralin as a hydrogen donor solvent and a commercial cobalt-molybdate catalyst. A spinning basket system was developed to allow injection of the catalyst at a desired time in the reaction cycle. This catalyst injection technique proved to be reliable for the exploratory work done here. The degree of catalyst deactivation was rated by comparing the activities of the spent catalyst for model compound (naphthalene and cumene) reactivities relative to those of the fresh catalyst. No substantial reduction in deactivation was observed to result with delayed contacting of the catalyst with the coal-tetralin reaction mixture. The effect of reaction temperature on the initial rate of catalyst deactivation was also studied.

Bimetallic promotion of cooperative hydrogen transfer and heteroatom removal in coal liquefaction

Energy Technology Data Exchange (ETDEWEB)

Eisch, J.J.

1992-04-07

The ultimate objective of this research has been to uncover novel reagents and experimental conditions for heteroatom removal and hydrogen transfer processes, which would be applicable to the liquefaction of coal under low-severity conditions. To this end, one phase of this research has investigated the cleavage of carbon-heteroatom bonds involving sulfur, oxygen, nitrogen and halogen by subvalent transition-metal complexes. A second phase of the study has assessed the capability of the same transition-metal complexes or of organoaluminum Lewis acids to catalyze the cleavage of carbon-hydrogen bonds in aromatics and hence to promote hydrogen shuttling. Finally, a third phase of our work has uncovered a remarkable synergistic effect of combinations of transition metals with organoaluminum Lewis acids on hydrogen shuttling between aromatics and hydroaromatics. (VC)

Catalysis of metal-clay intercalation compound in the low temperature coal hydrogasification

Energy Technology Data Exchange (ETDEWEB)

Fuda, Kiyoshi; Kimura, Mitsuhiko; Miyamoto, Norimitsu; Matsunaga, Toshiaki

1986-10-23

Focusing the hydrogenating methanation by gaseous phase catalytic reactions of low temperature volatile components, the catalytic effects of Ni metal and the effects of carriers having sensitive effects on the catalytic activities of Ni metal were studied. Sample coals were prepared from Shin-Yubari coal, and Ni hydride-montmorillonite complex catalysts and the catalysts produced by carring Ni nitrate on alumina and burning in hydrogen gas flows were prepared. The hydrogasification were carried out in a reaction tube. As a result, the montmorillonite-Ni compounds catalysts had high catalitic effects and high conversion ratio of 90% or more in the low temperature coal gasification. The catalitic effects of carried Ni metal strongly depended on the carrier substances, and the rank of effects for the carriers was montmorillonite>zeorite>TiO/sub 2/>alpha-Al/sub 2/O/sub 3/>MgO>SiO/sub 2/=gamma-Al/sub 2/O/sub 3/. (3 figs, 3 tabs, 3 refs)

Hydrogen production by water dissociation using ceramic membranes - annual report for FY 2010.

Energy Technology Data Exchange (ETDEWEB)

Balachandran, U.; Dorris, S. E.; Emerson, J. E.; Lee, T. H.; Lu, Y.; Park, C. Y.; Picciolo, J. J. (Energy Systems)

2011-03-14

The objective of this project is to develop dense ceramic membranes that can produce hydrogen via coal/coal gas-assisted water dissociation without using an external power supply or circuitry. This project grew from an effort to develop a dense ceramic membrane for separating hydrogen from gas mixtures such as those generated during coal gasification, methane partial oxidation, and water-gas shift reactions. That effort led to the development of various cermet (i.e., ceramic/metal composite) membranes that enable hydrogen production by two methods. In one method, a hydrogen transport membrane (HTM) selectively removes hydrogen from a gas mixture by transporting it through either a mixed protonic/electronic conductor or a hydrogen transport metal. In the other method, an oxygen transport membrane (OTM) generates hydrogen mixed with steam by removing oxygen that is generated through water splitting. This project focuses on the development of OTMs that efficiently produce hydrogen via the dissociation of water. Supercritical boilers offer very high-pressure steam that can be decomposed to provide pure hydrogen using OTMs. Oxygen resulting from the dissociation of steam can be used for coal gasification, enriched combustion, or synthesis gas production. Hydrogen and sequestration-ready CO{sub 2} can be produced from coal and steam by using the membrane being developed in this project. Although hydrogen can also be generated by high-temperature steam electrolysis, producing hydrogen by water splitting with a mixed-conducting membrane requires no electric power or electrical circuitry.

Manufacture of aromatic hydrocarbons from coal hydrogenation products

Energy Technology Data Exchange (ETDEWEB)

A.S. Maloletnev; M.A. Gyul' malieva [Institute for Fossil Fuels, Moscow (Russian Federation)

2007-08-15

The manufacture of aromatic hydrocarbons from coal distillates was experimentally studied. A flow chart for the production of benzene, ethylbenzene, toluene, and xylenes was designed, which comprised the hydrogen treatment of the total wide-cut (or preliminarily dephenolized) fraction with FBP 425{sup o}C; fractional distillation of the hydrotreated products into IBP-60, 60-180, 180-300, and 300-425{sup o}C fractions; the hydro-cracking of middle fractions for increasing the yield of gasoline fractions whenever necessary; the catalytic reform of the fractions with bp up to 180{sup o}C; and the extraction of aromatic hydrocarbons.

Studies on the decomposition of ethyl diazoacetate and its reaction with coal. Formation of a new tetrameric product and reagent access within the coal

Energy Technology Data Exchange (ETDEWEB)

Pomerantz, M.; Rooney, P.

A new tetrameric pyrazoline, 10, has been observed in the thermal and Fe/sub 2/O/sub 3/-catalyzed decomposition of ethyl diazoacetate (2) as well as when several coal samples were treated thermally with 2 under various conditions. Identification of 10 was based on spectral properties and an independent synthesis. A comparison of the amounts of diethyl fumarate (3), diethyl maleate (4), the trimeric pyrazoline 5, triethyl trans-cyclopropane-1,2,3-tricarboxylate (8), and the tetrameric pyrazoline 10 formed in the coal reactions with the relative quantities produced in the thermal and Fe/sub 2/O/sub 3/-catalyzed reactions of 2, both neat and diluted with p-xylene, showed that there were several successive and competing reactions occurring, one of which was independent of the concentration of 2. Further, on the basis of the observation that the product distribution of 3-5, 8, and 10 in the Fe/sub 2/O/sub 3/-catalyzed decomposition of 2 in relatively dilute solution is similar to that observed in the coal reactions, with cyclopropane 8 being the major product in both cases, and that 2 is reacting mainly with the coal, it is concluded that 2 is fairly well dispersed within the coal. In addition, it is clear that swelling of the coal with dioxane did very little to facilitate access of 2 into the coal. Instead the dioxane merely acted to allow for more complete extraction of the products after 2 had reacted with the coal, presumably by keeping the matrix structure more open, than when the dioxane was not used. 26 refs., 2 tabs.

Experimental evaluation of improved dual temperature hydrogen isotopic exchange reaction system

International Nuclear Information System (INIS)

Asakura, Yamato; Uchida, Shunsuke

1984-01-01

A proposed dual temperature hydrogen isotopic exchange reaction system between water and hydrogen gas is evaluated experimentally. The proposed system is composed of low temperature co-current reactors for reaction between water mists and hydrogen gas and high temperature co-current reactors for reaction between water vapor and hydrogen gas. Thus, operation is possible under atmospheric pressure with high reaction efficiency. Using the pilot test system which is composed of ten low temperature (30 0 C) reaction units and ten high temperature (200 0 C) reaction units, an experimental separation of deuterium from light water is carried out. The enrichment factor under steady state conditions, its dependency on operating time, and the reaction period necessary to obtain the steady state enrichment factor are determined experimentally and compared with calculations. It is shown that separation ability in a multistage reaction system can be estimated by numerical calculation using actual reaction efficiency in a unit reactor. (author)

Modification of Coal Char-loaded TiO2 by Sulfonation and Alkylsilylation to Enhance Catalytic Activity in Styrene Oxidation with Hydrogen Peroxide as Oxidant

Directory of Open Access Journals (Sweden)

Mukhamad Nurhadi

2017-04-01

Full Text Available The modified coal char from low-rank coal by sulfonation, titanium impregnation and followed by alkyl silylation possesses high catalytic activity in styrene oxidation. The surface of coal char was undergone several steps as such: modification using concentrated sulfuric acid in the sulfonation process, impregnation of 500 mmol titanium(IV isopropoxide and followed by alkyl silylation of n-octadecyltriclorosilane (OTS. The catalysts were characterized by X-ray diffraction (XRD, IR spectroscopy, nitrogen adsorption, and hydrophobicity. The catalytic activity of the catalysts has been examined in the liquid phase styrene oxidation by using aqueous hydrogen peroxide as oxidant. The catalytic study showed the alkyl silylation could enhance the catalytic activity of Ti-SO3H/CC-600(2.0. High catalytic activity and reusability of the o-Ti-SO3H/CC-600(2.0 were related to the modification of local environment of titanium active sites and the enhancement the hydrophobicity of catalyst particle by alkyl silylation. Copyright © 2017 BCREC GROUP. All rights reserved Received: 24th May 2016; Revised: 11st October 2016; Accepted: 18th October 2016 How to Cite: Nurhadi, M. (2017. Modification of Coal Char-loaded TiO2 by Sulfonation and Alkylsilylation to Enhance Catalytic Activity in Styrene Oxidation with Hydrogen Peroxide as Oxidant. Bulletin of Chemical Reaction Engineering & Catalysis, 12 (1: 55-61 (doi:10.9767/bcrec.12.1.501.55-61 Permalink/DOI: http://dx.doi.org/10.9767/bcrec.12.1.501.55-61

Effect of intermolecular cohesion on coal liquefaction. 3. Reactivity of oxygen methylated coal; Sekitan teibunshika hanno ni okeru bunshikan gyoshuryoku no koka. 3. O-methyl ka tan no hanno tokusei

Energy Technology Data Exchange (ETDEWEB)

Sasaki, M.; Nagaishi, H.; Yoshida, T. [Hokkaido National Industrial Research Institute, Sapporo (Japan)

1996-10-28

The reactivity of oxygen methylated coal was studied to control hydrogen bond in bituminous coal liquefaction and intermolecular cohesion such as van der Waals force. In experiment, crushed and dried Illinois coal of 100mesh or less was used as specimen, and oxygen methylated coal was prepared by Liotta`s method using tetrabutylammonium halide. Coal liquefaction was conducted in an electromagnetic agitation autoclave using tetralin solvent under initial hydrogen pressure of 100kg/cm{sup 2} while heating. The molecular weight distribution of the products obtained was measured by gel permeation chromatography (GPC) analysis. The experimental results are as follows. The effect of intermolecular cohesion in bituminous coal on the reactivity is mainly derived from decomposing reaction from preasphaltene to oil. Yields of oil fraction by methylation increase corresponding to release of intermolecular cohesion. Since the thermal release is promoted with temperature rise, the difference in yield due to different treatments decreases. 5 refs., 3 figs., 1 tab.

Advanced liquefaction using coal swelling and catalyst dispersion techniques. Volume 2, appendices. Final technical report, October 1, 1991--September 30, 1994

Energy Technology Data Exchange (ETDEWEB)

Curtis, C.W. [Auburn Univ., AL (United States); Chander, S. [Pennsylvania State Univ., College Park, PA (United States); Gutterman, C.

1995-04-01

Liquefaction experiments were undertaken using subbituminous Black Thunder mine coal to observe the effects of aqueous SO{sub 2} coal beneficiation and the introduction of various coal swelling solvents and catalyst precursors. Aqueous SO{sub 2} beneficiation of Black Thunder coal removed alkali metals and alkaline earth metals, increased the sulfur content and increased the catalytic liquefaction conversion to THF solubles compared to untreated Black Thunder coal. The liquefaction solvent had varying effects on coal conversion, depending upon the type of solvent added. The hydrogen donor solvent, dihydroanthracene, was most effective, while a coal-derived Wilsonville solvent promoted more coal conversion than did relatively inert 1-methylnaphthalene. Swelling of coal with hydrogen bonding solvents tetrahydrofuran (THF), isopropanol, and methanol, prior to reaction resulted in increased noncatalytic conversion of both untreated and SO{sub 2} treated Black Thunder coals, while dimethylsulfoxide (DMSO), which was absorbed more into the coal than any other swelling solvent, was detrimental to coal conversion. Swelling of SO{sub 2} treated coal before liquefaction resulted in the highest coal conversions; however, the untreated coal showed the most improvements in catalytic reactions when swelled in either THF, isopropanol, or methanol prior to liquefaction. The aprotic solvent DMSO was detrimental to coal conversion.

Influence of reaction parameters on brown coal-polyolefinic plastic co-pyrolysis behavior

Energy Technology Data Exchange (ETDEWEB)

Sharypov, V.I.; Beregovtsova, N.G.; Kuznetsov, B.N. [Institute of Chemistry and Chemical Technology SB RAS, K.Marx Str. 42, 660049 Krasnoyarsk (Russian Federation); Cebolla, V.L. [Instituto de Carboquimica, CSIC, Miguel Luesma, 4, 50015 Zaragoza (Spain); Collura, S.; Finqueneisel, G.; Zimny, T.; Weber, J.V. [Laboratoire de Chimie et Applications, Universite de Metz, rue V.Demange, 57500 Saint-Avold (France)

2007-03-15

Co-processing of polyolefinic polymers with Kansk-Achinsk (Russia) brown coal was investigated by thermogravimetry (TG) and autoclave pyrolysis under argon and hydrogen pressure in catalytic conditions (or not). Gas chromatography-mass spectrometry (GC-MS) and high performance thin layer chromatography (HPTLC) were used to analyze the distillate products. Some synergistic effects indicate chemical interaction between the products of thermal decomposition of coal and plastic. In co-pyrolysis under H{sub 2} a significant increasing of coal conversion degree as a function of polymer amount in feedstock was found. Simultaneously the coal promoted formation of distillate products from polymers. Some alkyl aromatic and O-containing substances were detected in co-pyrolysis fraction boiling in the range 180-350 C, indicating interactions between coal and plastic. Iron containing ore materials, modified by mechanochemical treatment, demonstrated a catalytic activity in hydropyrolysis process. In catalytic conditions, increases of the mixtures conversion degree by 9-13 wt.%, of distillate fraction yields by 1.2-1.6 times and a decrease of olefins and polycyclic components were observed. (author)

Flash hydropyrolysis of coal using a small scale of free fall reactor

Energy Technology Data Exchange (ETDEWEB)

Miura, K.; Morozumi, F. [Kyoto University, Kyoto (Japan). Department of Chemical Engineering

1998-07-01

A small scale of high-pressure free fall reactor was developed for the flash hydropyrolysis of coal. Taiheiyo coal (a Japanese subbituminous coal) was pyrolysed under a high hydrogen pressure without difficulty by use of this reactor. The effect of gas atmosphere, residence time, pressure, and temperature on the product yield was examined in detail. A flash hydropyrolysis reaction model was developed based on the experimental data, and its validity was examined. 8 refs., 5 figs., 1 tab.

Production of hydrogen by direct gasification of coal with steam using nuclear heat

Science.gov (United States)

1975-01-01

Problems related to: (1) high helium outlet temperature of the reactor, and (2) gas generator design used in hydrogen production are studied. Special attention was given to the use of Oklahoma coal in the gasification process. Plant performance, operation, and environmental considerations are covered.

Hydrogen/Chlorine exchange reactions of gaseous carbanions.

Science.gov (United States)

Chen, Hao; Cooks, R Graham; Meurer, Eduardo C; Eberlin, Marcos N

2005-12-01

Gas-phase reactions of three typical carbanions CH(2)NO(2)(-), CH(2)CN(-), and CH(2)S(O)CH(3)(-) with the chloromethanes CH(2)Cl(2), CHCl(3), and CCl(4), examined by tandem mass spectrometry, show a novel hydrogen/chlorine exchange reaction. For example, reaction between the nitromethyl anion CH(2)NO(2)(-) and carbon tetrachloride CCl(4) forms the ion CHClNO(2)(-). The suggested reaction mechanism involves nucleophilic attack by CH(2)NO(2)(-) at the chlorine of CCl(4) followed by proton transfer within the resulting complex [CH(2)ClNO(2) + CCl(3)(-)] to form CHClNO(2)(-) and CHCl(3). Two other carbanions CH(2)CN(-) and CH(2)S(O)CH(3)(-) also undergo the novel hydrogen/chlorine exchange reactions with CCl(4) but to a much smaller extent, their higher nucleophilicities favoring competitive nucleophilic attack reactions. Proton abstraction is the exclusive pathway in the reactions of these carbanions with CHCl(3). While CH(2)CN(-) and CH(2)S(O)CH(3)(-) promote mainly proton abstraction and nucleophilic displacement in reactions with CH(2)Cl(2), CH(2)NO(2)(-) does not react.

Report on evaluation/selection surveys on coal species, processes and others; Tanshu process nado hyoka sentei chosa hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1981-03-01

This program analyzes the applicable coal species centered by Australia's Victoria brown coal and Chinese coal, which are promising alternative fuel sources for Japan for their reserves, prices, availability, suitability for liquefaction, etc, in order to clarify the possible problems, and commercialize the liquefaction techniques in the early stage. This report consists of 6 chapters. Chapter 1 describes development situations of brown coal, specifically for Australia's Victoria brown coal and Chinese coal. Chapter 2 describes characteristics of the reactions involved in the brown coal liquefaction. Chapter 3 describes current status of various liquefaction processes (solvolysis, solvent extraction, direct hydrogenation and C-SRC) under development in Japan, and problems involved in their future developments. Chapter 4 describes current status of the elementary techniques, e.g., those for slurry pretreatment (e.g., dehydration and crushing), solid/liquid separation, secondary hydrogenation, product upgrading and gasification. Chapter 5 describes the related techniques, and Chapter 6 discusses the demonstration survey results of de-ashing, primary/secondary hydrogenation, and dehydration of brown coal. (NEDO)

Report on evaluation/selection surveys on coal species, processes and others; Tanshu process nado hyoka sentei chosa hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1981-03-01

This program analyzes the applicable coal species centered by Australia's Victoria brown coal and Chinese coal, which are promising alternative fuel sources for Japan for their reserves, prices, availability, suitability for liquefaction, etc, in order to clarify the possible problems, and commercialize the liquefaction techniques in the early stage. This report consists of 6 chapters. Chapter 1 describes development situations of brown coal, specifically for Australia's Victoria brown coal and Chinese coal. Chapter 2 describes characteristics of the reactions involved in the brown coal liquefaction. Chapter 3 describes current status of various liquefaction processes (solvolysis, solvent extraction, direct hydrogenation and C-SRC) under development in Japan, and problems involved in their future developments. Chapter 4 describes current status of the elementary techniques, e.g., those for slurry pretreatment (e.g., dehydration and crushing), solid/liquid separation, secondary hydrogenation, product upgrading and gasification. Chapter 5 describes the related techniques, and Chapter 6 discusses the demonstration survey results of de-ashing, primary/secondary hydrogenation, and dehydration of brown coal. (NEDO)

Report for fiscal 1981 of Sunshine Program coal group. Basic research on Solvolysis liquefaction technology; 1981 nendo solvolysis ekika gijutsu no kiso kenkyu hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1982-03-01

Basic research is conducted on the Solvolysis liquefaction process for the purpose of producing from coal an ashless, low-sulfur, pollution-free liquid fuel. In the research on the Solvolysis liquefaction (1st stage liquefaction) of coal using a hydrogenation solvent, the Solvolysis liquefaction of coal is studied, for which a refined Solvolysis pitch containing coal substances and a hydride of solvent refined coal are used as Solvolysis liquefaction solvents for the 1st stage. In the research on the 1st stage liquefaction reaction conditions using a high-temperature closed process, two methods are employed. One is a method that uses a mini-pump type reactor in which a small hermetic container is submerged in a high-temperature solvent for rapid heating and the other is a method that uses a pipe type reactor in which coal slurry is caused to travel through a pipe heated to a high temperature. For the analysis of the 2nd stage liquefaction (hydrogenation) reaction conditions, the properties of the 2nd coal liquid, and the constitution of the 2nd coal liquid, and the for the research on the 1st stage liquefaction capacity, the hydrogenation of anthracene oil and solvent refined coal as recyclable solvent models is studied. (NEDO)

Nuclear reaction analysis of hydrogen in materials: Principals and applications

International Nuclear Information System (INIS)

Lanford, W.A.

1991-01-01

Analysis for hydrogen in materials is difficult by most traditional analytic methods. Because hydrogen has no Auger transitions, no X-ray transitions, does not neutron activate, and does not backscatter ions, it is invisible in analytical methods based on these effects. In addition, since hydrogen is a universal contaminant in vacuum systems, techniques based on mass spectrometry are difficult unless extreme measures are taken to reduce hydrogen backgrounds. Because of this situation, methods have been developed for analyzing for hydrogen in solid materials based on nuclear reactions between bombarding ions and hydrogen atoms (protons) in the samples. The nuclear reaction methods are now practiced at laboratories around the world. The basic principals of nuclear reaction analysis will be briefly presented. This method will be illustrated by applications to problems ranging from basic physics, to geology, to materials science, and to art history and archeology

Hydrotreatment of middle distillate derived from Australian brown coal (Part 1)

Energy Technology Data Exchange (ETDEWEB)

Miki, Keiji; Yamamoto, Yoshitaka; Saito, Ikuo; Sato, Yoshiki

1987-12-20

Analysis of the composition of liquefied brown coal and changes in composition of oil hydrogenated with 3 kinds of catalysts were studied. Distillates at b.p. 200/420/sup 0/C obtained by the liquefaction of Australian and Victorian brown coals were used as samples. The hydrodenitrogenation (HDN) rates of the hydrotreated oils were 60% for NiMo, 51.9% for CoMo and 57.8% for NiW. The oil from the first stage liquefaction contained phenols of about 21 wt% as its acidic components. In the autoclave treatment under the reaction temperature of 370/sup 0/C and hydrogen pressure of 100 kg/cm/sup 2/G for 1 hour reaction time, it was difficult with any of the catalysts to remove all the phenols. The HDN activities of the catalysts were in the sequence of NiMo>NiW>CoMo, and the phenol conversion rates were in the sequence of NiMo>CoMo>NiW. NiW was less active for hydrogenation and hydrodeoxygenation reaction of phenols in contrast with the high HDM activity. (2 figs, 6 tabs, 14 refs)

Coal Liquefaction characteristics and chemical structure of product oil; Sekitan ekika hanno tokusei to seiseibutsu no kagaku kozo

Energy Technology Data Exchange (ETDEWEB)

Endo, H.; Sato, M.; Chiba, T.; Hattori, H. [Hokkaido University, Sapporo (Japan). Center for Advanced Research of Energy Technology; Sasaki, M. [Hokkaido National Industrial Research Institute, Sapporo (Japan)

1996-10-28

Through the hydrogenolysis of Wandoan coal and Tanito Harum coal which are used for the NEDOL process, differences of liquefaction characteristics between them were found. The purpose of this study is to grasp these differences as differences of chemical structures of oil fractions. The compound type analysis was conducted for oil fractions obtained at varied reaction temperature for varied reaction time. Coal liquefaction characteristics of these coals were discussed by relating oil yields and chemical structures. For Tanito Harum coal, yields of gas and oil were considered to be lower than those for Wandoan coal, which reflected that the contents of partially hydrogenated hydroaromatics in oil fraction from the former were lower than those from the latter, and that the remarkable change of composition did not occur with the progress of the reaction. For both the coals, the remarkable changes in the average molecular weight of oil fraction were not observed with the progress of the reaction. While, the content of methane gradually increased with the progress of the reaction, which suggested that oil was gradually dealkylated. 5 figs.

Diels-Alder reactions onto fluorinated and hydrogenated graphene

Science.gov (United States)

Denis, Pablo A.

2017-09-01

We studied Diels-Alder (DA) reactions onto functionalized graphene. When fluorine, hydrogen or oxygen functional groups are present on one side of the sheet, the DA cycloadditions become significantly more exergonic when performed on the opposite side. Hydrogen is more effective than fluorine and oxygen to promote these cycloadditions. In contrast with the results obtained for perfect graphene, the functionalization with H, F or O turns the DA reactions exergonic, with ΔG°298 = -127.2 kcal/mol. The reaction barriers are expected to be considerably lowered with respect to perfect graphene because the functional groups significantly reduce the distortion energy.

The reactions of oxygen and hydrogen with liquid sodium

International Nuclear Information System (INIS)

Ullmann, H.

1981-01-01

Results so far available as to the reactions and chemical equilibrium of oxygen and hydrogen with liquid sodium have been analyzed critically. The enthalpy values of the reactions have been discussed and supplemented on the basis of corresponding BORN-HABER cycles. The concentration and temperature functions of the hydrogen equilibrium pressure were deduced from experimental results. In relation to the solubility data the solid phases coexisting with liquid sodium in the ternary system Na-O-H have been discussed. The reaction of oxygen with hydrogen in diluted solution in liquid sodium has been investigated in more detail. Interaction coefficients, and the temperature functions of the free energy of formation and the equilibrium constant have been determined. (orig.)

Novel technique for coal pyrolysis and hydrogenation product analysis

Energy Technology Data Exchange (ETDEWEB)

Pfefferle, L.D.

1992-01-01

This report covers the last quarter of the last year of the three-year grant period. In the final project year, we concentrated on the pyrolysis and oxidative pyrolysis of large hydrocarbons and mixtures of large and small hydrocarbons in order to develop the VUV-MS technique for compounds more representative of those in coal pyrolysis applications. Special focus was directed at the pyrolysis and oxidative pyrolysis of benzene and benzene acetylene mixtures. The acetylene/benzene mixtures were used to gain a better understanding of the mechanisms of molecular growth in such systems specifically to look at the kinetics of aryl-aryl reactions as opposed to small molecule addition to phenyl radicals. Sarofim and coworkers at MIT have recently demonstrated the importance of these reactions in coal processing environments. In the past, the growth mechanism for the formation of midsized PAH has been postulated to involve primarily successive acetylene additions to phenyl-type radicals, our work confmns this as an important mechanism especially for smaller PAH but also investigates conditions where biaryl formation can play an important role in higher hydrocarbon formation.

Studies of initial stage in coal liquefaction. 4. Radical formation and structural change with thermal decomposition of coal; Ekika hanno no shoki katei ni kansuru kenkyu. 4. Netsubunkai ni tomonau radical seisei kyodo to kozo henka

Energy Technology Data Exchange (ETDEWEB)

Kanaji, M.; Kaneko, T.; Shimasaki, K. [Nippon Brown Coal Liquefaction Co. Ltd., Tokyo (Japan); Kumagai, H.; Chiba, T. [Hokkaido University, Sapporo (Japan). Center for Advanced Research of Energy Technology

1996-10-28

In relation to coal liquefaction reaction, the effect of the coexistence of transferable hydrogen (TH) from process solvent on reduction of radical concentration and the effect of pre-heat treatment on average structure of coals were studied. In experiment, change in radical concentration with temperature rise was measured using the system composed of Yallourn coal and process solvent. The results are as follows. Process solvent with a wide boiling point range of 180-420{degree}C is effective in suppressing an increase in radical concentration even at higher temperature. The effect of hydrogen-donating solvent increases with TH. It was also suggested that high-boiling point constituents in solvent stabilize radicals even over 400{degree}C by vapor phase hydrogenation. The experimental results of pre-heat treatment are as follows. Although the conversion improvement effect of TH is equivalent to that of the model solvent, TH tends to produce soluble products with smaller ring numbers. It was thus suggested that pre-heat treatment in process solvent is effective to inhibit retrogressive reactions. 6 refs., 5 figs., 1 tab.

FUNDAMENTAL KINETICS OF SUPERCRITICAL COAL LIQUEFACTION: EFFECT OF CATALYSTS AND HYDROGEN-DONOR SOLVENTS; FINAL

International Nuclear Information System (INIS)

Benjamin J. McCoy; J.M. Smith

1998-01-01

This report outlines a distribution kinetics approach to macromolecular reactions that has been applied to several processes. The objective was to develop an understanding of high-temperature, dense-phase thermolytic processes for complex macromolecular systems, such as coal. Experiments and theory are described for chemical models that simulate depolymerization of coal. The approach has been exceptionally successful for the model macromolecular systems. Development of a novel chemical reaction engineering analysis, based on distribution kinetics, was a major accomplishment of the current research

Zeolite Membrane Reactor for Water Gas Shift Reaction for Hydrogen Production

Energy Technology Data Exchange (ETDEWEB)

Lin, Jerry Y.S. [Arizona State Univ., Mesa, AZ (United States)

2013-01-29

Gasification of biomass or heavy feedstock to produce hydrogen fuel gas using current technology is costly and energy-intensive. The technology includes water gas shift reaction in two or more reactor stages with inter-cooling to maximize conversion for a given catalyst volume. This project is focused on developing a membrane reactor for efficient conversion of water gas shift reaction to produce a hydrogen stream as a fuel and a carbon dioxide stream suitable for sequestration. The project was focused on synthesizing stable, hydrogen perm-selective MFI zeolite membranes for high temperature hydrogen separation; fabricating tubular MFI zeolite membrane reactor and stable water gas shift catalyst for membrane reactor applications, and identifying experimental conditions for water gas shift reaction in the zeolite membrane reactor that will produce a high purity hydrogen stream. The project has improved understanding of zeolite membrane synthesis, high temperature gas diffusion and separation mechanisms for zeolite membranes, synthesis and properties of sulfur resistant catalysts, fabrication and structure optimization of membrane supports, and fundamentals of coupling reaction with separation in zeolite membrane reactor for water gas shift reaction. Through the fundamental study, the research teams have developed MFI zeolite membranes with good perm-selectivity for hydrogen over carbon dioxide, carbon monoxide and water vapor, and high stability for operation in syngas mixture containing 500 part per million hydrogen sulfide at high temperatures around 500°C. The research teams also developed a sulfur resistant catalyst for water gas shift reaction. Modeling and experimental studies on the zeolite membrane reactor for water gas shift reaction have demonstrated the effective use of the zeolite membrane reactor for production of high purity hydrogen stream.

Material balance in coal. 2. Oxygen determination and stoichiometry of 33 coals

International Nuclear Information System (INIS)

Volborth, A.; Miller, G.E.; Garner, C.K.; Jerabek, P.A.

1977-01-01

The chemical analysis of coal can be supplemented by the determination of oxygen in high and low temperature ash, in coal as received and in coal dried at 105 0 C. The rapid method utilizes fast-neutron activation. The reaction 16 O(n,p) 16 N and counting of the 6.1 and 7.1 MeV gammas of 7.3 second half-life are used. A specially designed dual transfer and simultaneous counting system gives very accurate results. Oxygen in 33 coals ranging from lignite to low volatile bituminous coal is determined and compared with ''oxygen by difference.'' Considerable discrepancies are observed. Better stoichiometric results are obtained if oxygen in coal ash, in wet coal and in the dried coal is determined. This permits the estimation of the true material balances using data of the ultimate and the proximate coal analysis. The oxygen determination provides the coal chemist with an accurate basis and can be used to rank coal. The summation of the percent of carbon, nitrogen, hydrogen, sulfur, and oxygen becomes more meaningful and some errors can be detected and the state of completeness of coal analysis thus evaluated. Total sulfur can be estimated and oxidation effects during drying can be detected. These affect the moisture determination. It appears that after more data are collected, the interpretation of solid fuel analyses may be facilitated and will be stoichiometrically more meaningful. It is shown that it may be possible to simplify the present time-consuming methods of coal analysis

Hydrogen desorption reactions of Li-N-H hydrogen storage system: Estimation of activation free energy

International Nuclear Information System (INIS)

Matsumoto, Mitsuru; Haga, Tetsuya; Kawai, Yasuaki; Kojima, Yoshitsugu

2007-01-01

The dehydrogenation reactions of the mixtures of lithium amide (LiNH 2 ) and lithium hydride (LiH) were studied under an Ar atmosphere by means of temperature programmed desorption (TPD) technique. The dehydrogenation reaction of the LiNH 2 /LiH mixture was accelerated by addition of 1 mol% Ti(III) species (k = 3.1 x 10 -4 s -1 at 493 K), and prolonged ball-milling time (16 h) further enhanced reaction rate (k = 1.1 x 10 -3 s -1 at 493 K). For the hydrogen desorption reaction of Ti(III) doped samples, the activation energies estimated by Kissinger plot (95 kJ mol -1 ) and Arrhenius plot (110 kJ mol -1 ) were in reasonable agreement. The LiNH 2 /LiH mixture without Ti(III) species, exhibited slower hydrogen desorption process and the kinetic traces deviated from single exponential behavior. The results indicated the Ti(III) additives change the hydrogen desorption reaction mechanism of the LiNH 2 /LiH mixture

Investigation of Coal-biomass Catalytic Gasification using Experiments, Reaction Kinetics and Computational Fluid Dynamics

Energy Technology Data Exchange (ETDEWEB)

Battaglia, Francine [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States); Agblevor, Foster [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States); Klein, Michael [Univ. of Delaware, Newark, DE (United States); Sheikhi, Reza [Northeastern Univ., Boston, MA (United States)

2015-12-31

A collaborative effort involving experiments, kinetic modeling, and computational fluid dynamics (CFD) was used to understand co-gasification of coal-biomass mixtures. The overall goal of the work was to determine the key reactive properties for coal-biomass mixed fuels. Sub-bituminous coal was mixed with biomass feedstocks to determine the fluidization and gasification characteristics of hybrid poplar wood, switchgrass and corn stover. It was found that corn stover and poplar wood were the best feedstocks to use with coal. The novel approach of this project was the use of a red mud catalyst to improve gasification and lower gasification temperatures. An important results was the reduction of agglomeration of the biomass using the catalyst. An outcome of this work was the characterization of the chemical kinetics and reaction mechanisms of the co-gasification fuels, and the development of a set of models that can be integrated into other modeling environments. The multiphase flow code, MFIX, was used to simulate and predict the hydrodynamics and co-gasification, and results were validated with the experiments. The reaction kinetics modeling was used to develop a smaller set of reactions for tractable CFD calculations that represented the experiments. Finally, an efficient tool was developed, MCHARS, and coupled with MFIX to efficiently simulate the complex reaction kinetics.

Theoretical studies of the reactions of HCN with atomic hydrogen

International Nuclear Information System (INIS)

Bair, R.A.; Dunning, T.H. Jr.

1985-01-01

A comprehensive theoretical study has been made of the energetics of the important pathways involved in the reaction of hydrogen atoms with hydrogen cyanide. For each reaction ab initio GVB-CI calculations were carried out to determine the structures and vibrational frequencies of the reactants, transition states, and products; then POL-CI calculations were carried out to more accurately estimate the electronic contribution to the energetics of the reactions. The hydrogen abstraction reaction is calculated to be endoergic by 24 kcal/mol [expt. ΔH (0 K) = 16--19 kcal/mol] with a barrier of 31 kcal/mol in the forward direction and 6 kcal/mol in the reverse direction. For the hydrogen addition reactions, addition to the carbon atom is calculated to be exoergic by 19 kcal/mol with a barrier of 11 kcal/mol, while addition to the nitrogen center is essentially thermoneutral with a barrier of 17 kcal/mol. Calculations were also carried out on the isomerization reactions of the addition products. The cis→trans isomerization of HCNH has a barrier of only 10 kcal/mol with the trans isomer being more stable by 5 kcal/mol. The (1,2)-hydrogen migration reaction, converting H 2 CN to trans-HCNH, is endoergic by only 14 kcal/mol, but the calculated barrier for the transfer is 52 kcal/mol. The energy of the migration pathway thus lies above that of the dissociation--recombination pathway

Kinetics of coal liquefaction during heating-up and isothermal stages

Energy Technology Data Exchange (ETDEWEB)

Xian Li; Haoquan Hu; Shengwei Zhu; Shuxun Hu; Bo Wu; Meng Meng [Dalian University of Technology, Dalian (China). Institute of Coal Chemical Engineering

2008-04-15

Direct liquefaction of Shenhua bituminous coal was carried out in a 500 ml autoclave with iron catalyst and coal liquefaction cycle-oil as solvent at initial hydrogen of 8.0 MPa, residence time of 0-90 min. To investigate the liquefaction kinetics, a model for heating-up and isothermal stages was developed to estimate the rate constants of both stages. In the model, the coal was divided into three parts, easy reactive part, hard reactive part and unreactive part, and four kinetic constants were used to describe the reaction mechanism. The results showed that the model is valid for both heating-up and isothermal stages of liquefaction perfectly. The rate-controlled process for coal liquefaction is the reaction of preasphaltene plus asphaltene (PAA) to oil plus gas (O + G). The upper-limiting conversion of isothermal stage was estimated by the kinetic calculation. 21 refs., 4 figs., 4 tabs.

Thermal relaxation of bituminous coal to improve donation ability of hydrogen radicals in flash pyrolysis; Sekitan kozo kanwa ni yoru suiso radical kyoyo noryoku no kojo wo mezashita netsubunkai mae shori

Energy Technology Data Exchange (ETDEWEB)

Mori, T.; Isoda, T.; Kusakabe, K.; Morooka, S. [Kyushu University, Fukuoka (Japan). Faculty of Engineering; Hayashi, J. [Hokkaido University, Sapporo (Japan). Center for Advanced Research of Energy Technology

1996-10-28

In terms of coal conversion reaction, the behavior of bituminous coal heated beyond a glass transition point was examined on the basis of pyrolyzed products, and the effect of an increase in proton mobility on promotion of coal decomposition was evaluated. In experiment, after Illinois bituminous coal specimen was heated up to a specific temperature in N2 or He gas flow at a rate of 5K/min, the specimen was directly transferred to a pyrolyzer for instantaneous pyrolysis. As the experimental result, the glass transition temperature of the Illinois coal specimen was calculated to be 589K from a differential scanning calorimetry (DSC) profile. From the pyrolysis result of the Illinois coal specimen heated up to 623K, the char yield decreased by 3kg as compared with that of the original coal, while the tar yield increased by 4kg up to 27kg per 100kg of the original coal. This tar increase was larger than that of cooled coal. These results suggested that the donation of hydrogen radicals to coal fragments is improved with an increase in proton mobility. 4 refs., 4 figs., 1 tab.

Reaction of Aluminum with Water to Produce Hydrogen - 2010 Update

Energy Technology Data Exchange (ETDEWEB)

Petrovic, John [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Thomas, George [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2011-06-01

A Study of Issues Related to the Use of Aluminum for On-Board Vehicular Hydrogen Storage The purpose of this White Paper is to describe and evaluate the potential of aluminum-water reactions for the production of hydrogen for on-board hydrogen-powered vehicle applications. Although the concept of reacting aluminum metal with water to produce hydrogen is not new, there have been a number of recent claims that such aluminum-water reactions might be employed to power fuel cell devices for portable applications such as emergency generators and laptop computers, and might even be considered for possible use as the hydrogen source for fuel cell-powered vehicles.

Study on supported binary sulfide catalysts for secondary hydrogenation of coal-derived liquids; Sekitan ekikayu niji suisoka shokubai no kenkyu

Energy Technology Data Exchange (ETDEWEB)

Shimada, H.; Matsubayashi, N.; Sato, T.; Imamura, M.; Yoshimura, Y.; Nishijima, A. [National Institute of Materials and Chemical Research, Tsukuba (Japan)

1995-07-28

To utilize the high performance of supported catalysts in coal liquefaction processes, one of the promising ways is to apply hydroprocessing sulfide catalysts to the secondary hydrogenation of coal-derived liquids which have undergone the solid separation unit. However, when the product yield from the first-stage liquefaction is maximized, the feed stocks in the secondary hydrogenation contain large amounts of residual fractions with preasphaltenes and metallic components. In this case, the development of a long-life catalyst is essential to establish the two-stage process as a practical one. From this viewpoint, the authors have investigated the deactivation causes of supported Ni-Mo sulfide catalysts through the analysis of the used catalysts in the secondary hydrogenation of coal-derived liquids for long periods. The major cause of the catalyst deactivation has been found to be metallic and carbonaceous deposition on the catalyst, which results thin layer which covers the catalyst particles. The catalysts located at the reactor inlet are more rapidly deactivated than those at the rector exit because of larger amounts of metallic foul ants and the above described shell-like layer. Hydrocracking active sites are much heavily deactivated compared with hydrogenation active sites. It is inferred that the basic or polar compounds contained in coal liquids are permanency adsorbed on the hydrocracking active sites. Spectroscopic analysis of the used catalysts clarified the destruction of the active phase of the binary sulfides, through the segregation and crystal growth. The structural changes of the catalysts are very likely caused by heteroatom compounds in the preasphaltenes. Thus, the primary cause of the catalyst deactivation is the preasphaltenes in the coal liquids. Hydroaromatic compounds in the coal liquids suppress the change of the deposited carbonaceous materials into inert coke which permanently deactivate the catalyst.

Destruction of oxalate by reaction with hydrogen peroxide. [Hydrazine oxalate

Energy Technology Data Exchange (ETDEWEB)

Mailen, J.C.; Tallent, O.K.; Arwood, P.C.

1981-09-01

The destruction of oxalate by oxidation to carbon dioxide using hydrogen peroxide was studied as an alternative method for the disposal of oxalate in connection with the possible use of an aqueous hydrazine oxalate solution as a scrubbing agent for solvent cleanup in processes for the recovery of uranium, plutonium, and thorium by solvent extraction. The rate of oxidation of oxalate by hydrogen peroxide in acid solution at the reflux temperature was adequate for process application; reaction half-times at 100/sup 0/C were less than one hour when the hydrogen peroxide concentration was greater than 0.5 M. The reaction was first order with respect to both the oxalate and hydrogen peroxide concentrations and had an activation energy of 58.7 kJ/g-mol. The rate increased with the hydrogen ion concentration as (H/sup +/)/sup 0/ /sup 3/ but was not significantly affected by the presence of 100 ppM of uranium or copper in solution. In the near-neutral hydrazine oxalate solutions, the reaction of either component with hydrogen peroxide was too slow for process application.

Deuterium as a tracer in coal liquefaction. Pt. 1

International Nuclear Information System (INIS)

Wilson, M.A.; Collin, P.J.; Barron, P.F.; Vassallo, A.M.

1982-01-01

Deuterium has been used to trace the pathways by which hydrogen reacts with an Australian bituminous coal (Liddell) in the presence of a nickel/molybdenum catalyst. The results show that at 400 0 C extensive scrambling of hydrogen and deuterium occurs among aromatic and α to aromatic aliphatic hydrogen and deuterium substituents. Deuterium can enter all structural groups in both asphaltene and hexane-soluble fractions of the coal-derived liquids, but it enters aromatic and α to aromatic groups in preference to alkyl groups remote from aromatic rings. Thus the results indicate that hydrogen atoms are very mobile during coal hydrogenation. Deuterium from deuterium oxide generated during conversion can also be incorporated into the coal-derived liquids. During coal hydrogenation, the eventual fate of much of the hydrogen in the gas phase is to substitute for hydrogen already in the coal. (Auth.)

Advances of zeolite based membrane for hydrogen production via water gas shift reaction

Science.gov (United States)

Makertihartha, I. G. B. N.; Zunita, M.; Rizki, Z.; Dharmawijaya, P. T.

2017-07-01

Hydrogen is considered as a promising energy vector which can be obtained from various renewable sources. However, an efficient hydrogen production technology is still challenging. One technology to produce hydrogen with very high capacity with low cost is through water gas shift (WGS) reaction. Water gas shift reaction is an equilibrium reaction that produces hydrogen from syngas mixture by the introduction of steam. Conventional WGS reaction employs two or more reactors in series with inter-cooling to maximize conversion for a given volume of catalyst. Membrane reactor as new technology can cope several drawbacks of conventional reactor by removing reaction product and the reaction will favour towards product formation. Zeolite has properties namely high temperature, chemical resistant, and low price makes it suitable for membrane reactor applications. Moreover, it has been employed for years as hydrogen selective layer. This review paper is focusing on the development of membrane reactor for efficient water gas shift reaction to produce high purity hydrogen and carbon dioxide. Development of membrane reactor is discussed further related to its modification towards efficient reaction and separation from WGS reaction mixture. Moreover, zeolite framework suitable for WGS membrane reactor will be discussed more deeply.

Coal anion structure and chemistry of coal alkylation. Fourth quarterly progress report, December 1, 1977--February 28, 1978. [Carbon atoms in butyl groups

Energy Technology Data Exchange (ETDEWEB)

Stock, L.M.

1978-01-01

Three research problems are in progress. First, work is progressing well concerning the methods appropriate for the reductive alkylation of Illinois No. 6 coal samples. We have investigated the influence of the leaving group on the conversion of the Illinois coal to a soluble material. We find that the n-butyl iodide is more effective than other n-butyl halides. Second, preliminary results have been obtained concerning the distribution of hydrogen and deuterium atoms in the reaction of Illinois No. 6 coal samples with perdeuteriotetralin at 400/sup 0/C. Third, the nuclear magnetic resonance spectra of appropriate model compounds with n-butyl groups have been tabulated for comparison with the spectroscopic results obtained from coal alkylation products. Fourth, the chromatographic procedures necessary for the separation of the coal samples are being developed.

N-Alkylation by Hydrogen Autotransfer Reactions.

Science.gov (United States)

Ma, Xiantao; Su, Chenliang; Xu, Qing

2016-06-01

Owing to the importance of amine/amide derivatives in all fields of chemistry, and also the green and environmentally benign features of using alcohols as alkylating reagents, the relatively high atom economic dehydrative N-alkylation reactions of amines/amides with alcohols through hydrogen autotransfer processes have received much attention and have developed rapidly in recent decades. Various efficient homogeneous and heterogeneous transition metal catalysts, nano materials, electrochemical methods, biomimetic methods, asymmetric N-alkylation reactions, aerobic oxidative methods, and even certain transition metal-free, catalyst-free, or autocatalyzed methods, have also been developed in recent years. With a brief introduction to the background and developments in this area of research, this chapter focuses mainly on recent progress and technical and conceptual advances contributing to the development of this research in the last decade. In addition to mainstream research on homogeneous and heterogeneous transition metal-catalyzed reactions, possible mechanistic routes for hydrogen transfer and alcohol activation, which are key processes in N-alkylation reactions but seldom discussed in the past, the recent reports on computational mechanistic studies of the N-alkylation reactions, and the newly emerged N-alkylation methods based on novel alcohol activation protocols such as air-promoted reactions and transition metal-free methods, are also reviewed in this chapter. Problems and bottlenecks that remained to be solved in the field, and promising new research that deserves greater future attention and effort, are also reviewed and discussed.

Hydrogen electrode reaction: A complete kinetic description

International Nuclear Information System (INIS)

Quaino, P.M.; Gennero de Chialvo, M.R.; Chialvo, A.C.

2007-01-01

The kinetic description of the hydrogen electrode reaction (HER) in the whole range of overpotentials (-0.2 < η (V) < 0.40) is presented. The Volmer-Heyrovsky-Tafel mechanism was solved considering simultaneously the following items: (i) the diffusional contribution of the molecular hydrogen from and towards the electrode surface, (ii) the forward and backward reaction rates of each elementary step and (iii) a Frumkin type adsorption for the reaction intermediate. In order to verify the descriptive capability of the kinetic expressions derived, an experimental study of the HER was carried out on a rotating platinum disc electrode in acid solution. From the correlation of these results the elementary kinetic parameters were evaluated and several aspects related to the kinetic mechanism were discussed. Finally, the use of these kinetic expressions to interpret results obtained on microelectrodes is also analysed

The Charfuel coal refining process

International Nuclear Information System (INIS)

Meyer, L.G.

1991-01-01

The patented Charfuel coal refining process employs fluidized hydrocracking to produce char and liquid products from virtually all types of volatile-containing coals, including low rank coal and lignite. It is not gasification or liquefaction which require the addition of expensive oxygen or hydrogen or the use of extreme heat or pressure. It is not the German pyrolysis process that merely 'cooks' the coal, producing coke and tar-like liquids. Rather, the Charfuel coal refining process involves thermal hydrocracking which results in the rearrangement of hydrogen within the coal molecule to produce a slate of co-products. In the Charfuel process, pulverized coal is rapidly heated in a reducing atmosphere in the presence of internally generated process hydrogen. This hydrogen rearrangement allows refinement of various ranks of coals to produce a pipeline transportable, slurry-type, environmentally clean boiler fuel and a slate of value-added traditional fuel and chemical feedstock co-products. Using coal and oxygen as the only feedstocks, the Charfuel hydrocracking technology economically removes much of the fuel nitrogen, sulfur, and potential air toxics (such as chlorine, mercury, beryllium, etc.) from the coal, resulting in a high heating value, clean burning fuel which can increase power plant efficiency while reducing operating costs. The paper describes the process, its thermal efficiency, its use in power plants, its pipeline transport, co-products, environmental and energy benefits, and economics

Hydrogen Fuel as Ecological Contribution to Operation of the Existing Coal-Fired Thermal Power Plants

International Nuclear Information System (INIS)

Cosic, D.

2009-01-01

The analysis is carried out of the application of a new hydrogen based alternative fuel as ecological contribution of the coal thermal power plants operation. Given the fact that coal thermal power plants are seen as the largest producers, not only of CO 2 , but of all others harmful gases, the idea is initiated to use the new alternative fuel as an additive to the coal which would result in much better performance of the coal power plants from an ecological point of view. It is possible to use such a fuel in relation of 10-30% of former coal use. The positive influence of such an application is much bigger than relative used quantity. This lecture has a goal to incite potential investors to create conditions for industrial testing of the new fuel. It will be very interesting to animate investors for large-scale production of the new fuel, too.(author).

Pressure hydrogenation of solid carbonaceous material

Energy Technology Data Exchange (ETDEWEB)

Pier, M; Kroenig, W

1942-09-28

A process is described for the continuous pressure hydrogenation of solid, nonfusible carbonaceous material, such as coal, oil shale, or peat, in a pasted condition, characterized in that the charge is heated in a known way under pressure, together with water, nearly to the reaction temperature, then it is led into a pressure vessel, whose volume amounts to 20 to 40% of the usual reaction space without any change at the same temperature, and the charge then goes through the reaction vessel, after which its temperature is raised to the reaction height.

Role of non-ferrous coal minerals and by-product metallic wastes in coal liquefaction. Technical progress report, December 1, 1980-February 28, 1981

Energy Technology Data Exchange (ETDEWEB)

Garg, D.; Givens, E.N.; Schweighardt, F.K.; Curtis, C.W.; Guin, J.A.; Huang, W.J.; Shridharani, K.

1981-04-01

Results from screening studies showed that the pyrite samples separated from various coal seams had similar catalytic activity. The addition of all the pyrite samples to feed slurry increased conversion of coal and production of oil. A sample of fusinite was also tested for its liquefaction behavior with and without added pyrite. The addition of pyrite increased the conversion of fusinite and production of oil. These results show that pyrite catalyzes the conversion of fusinite and therefore improves overall coal conversion. Conversion of coal and oil production increased by impregnating coal with iron and molybdenum compounds. Coal conversion and oil production also increased with increasing concentration of both iron and molybdenum impregnated on coal. Addition of various transition metal sulfides increased coal conversion and oil production. Dramatic improvements were noted with nickel, vanadium, and tin sulfides. Addition of transition metal naphthenates produced mixed results; some of them improved coal conversion and others had no effect. The effect of metal concentration on coal conversion was also not clear. Deep cleaning of coal did not affect coal conversion, but it significantly reduced oil production. Addition of pyrite separated from coal to deep cleaned coal sample regained the oil production to the original value, i.e., oil produced from liquefaction of raw coal.Coal cleaned by oil agglomeration gave highest coal conversion and oil production. Basic and non-basic nitrogen compounds reduced the naphthalene hydrogenation activity of both Co-Mo-Al and sulfided Fe/sub 2/O/sub 3/. Sulfided Fe/sub 2/O/sub 3/ was inactive for denitrogenation of quinoline, and the reaction product mainly consisted of hydrogenated and hydrocracked quinoline. On the contrary, Co-Mo-Al was active for denitrogenation of quinoline, resulting in lower quinoline poisoning.

Co-pyrolysis of waste tire/coal mixtures for smokeless fuel, maltenes and hydrogen-rich gas production

International Nuclear Information System (INIS)

Bičáková, Olga; Straka, Pavel

2016-01-01

Highlights: • Co-pyrolysis of waste tires/coal mixtures yields mainly smokeless fuel (55–74 wt%). • Alternatively, the smokeless fuel can serve as carbonaceous sorbent. • The obtained tar contained maltenes (80–85 wt%) and asphaltenes (6–8 wt%). • Tar from co-pyrolysis can serve as heating oil or a source of maltenes for repairing of asphalt surfaces. • The hydrogen-rich gas was obtained (61–65 vol% H_2, 24–25 vol% CH_4, 1.4–2 vol% CO_2). - Abstract: The processing of waste tires with two different types of bituminous coal was studied through the slow co-pyrolysis of 1 kg of waste tire/coal mixtures with 15, 30 and 60 wt% waste tires on a laboratory scale. The waste tire/coal mixtures were pyrolysed using a quartz reactor in a stationary bed. The mixtures were heated at a rate 5 °C/min up to the final temperature of 900 °C with a soaking time of 30 min at the required temperature. The mass balance of the process and the properties of the coke and tar obtained were evaluated, further, the influence of the admixture in the charge on the amount and composition of the obtained coke and tar was determined. It was found that the smokeless fuel/carbonaceous sorbent and a high yield of tar for further use can be obtained through the slow co-pyrolysis. The obtained tars contained mostly maltenes (80–85 wt%). FTIR analysis showed that the maltenes from the co-pyrolysis of coal/waste tires exhibited significantly lower aromaticity as compared with that from coal alone. The gas obtained from pyrolysis or co-pyrolysis of waste tire/coal mixtures contained a high amount of hydrogen (above 60 vol%) and methane (above 20 vol%).

Thermocatalytical processing of coal and shales

Directory of Open Access Journals (Sweden)

Zhaksyntay Kairbekov

2012-12-01

Full Text Available The article investigates the questions of thermocatalytical conversion of organic mass of coal (OMC, it is shown that in the absence of a catalyst process is carried out by a radical process. Accumulated data on the properties for radicals of different structure and therefore different reaction capacity enables us to understand and interpret the conversion of OMC. Thermal conversion of OMC regarded as a kind of depolymerization, accompanied by decomposition of the functional groups with the formation of radicals, competing for hydrogen atom. Catalyst can change the direction and conditions of the process. Modern catalysts can reduce the process pressure up to 50 atm., with a high degree of coal conversion. We consider examples of simultaneous conversion of coal and shale, shale and masut, shale and tar.

Report on the coal energy achievements in the Sunshine Project in fiscal 1988; 1989 nendo sunshine keikaku seika hokokusho. Sekitan energy

Energy Technology Data Exchange (ETDEWEB)

NONE

1989-07-01

This paper describes the achievements in the Sunshine Project in fiscal 1988 in studies on coal liquefaction. The liquefaction mechanisms may be conceived to work in the following three manners: radicals produced by spontaneous bond and cleavage of coal molecules draw out hydrogen from the donor and stabilize it; bond, cleavage and stabilization due to hydrogenation from the donor to coal aromatic nucleus; and cleavage and stabilization due to work of active hydrogen discharged from the donor. How these mechanisms contribute to composition of the products depends on coals, liquefying conditions, and reactivity of the donor. Selection of the donor solvent requires design by which high liquefaction yield can be obtained with small amount of solvent. The oil plus asphaltene yield could have been approached to the ideal value through the moving liquefaction of gaseous phase hydrogen and catalyst-free hydrogen, with the 4HFL to coal ratio at 1.5 to 1. The gaseous phase hydrogen was found effective in reducing 4HFL. Liquefaction residual oil manufactured from Morwell brown coal subjected to BCL was hydrogenated in single stage or two stages to compare and discuss the solvent sorting constituents, reactivity of CLVR, and how the catalytic activity deteriorates. The cause for the catalyst deterioration was elucidated, and considerations were given on catalysts and reaction conditions for lightening and refining of CLVR. (NEDO)

Two dimensional simulation of hydrogen iodide decomposition reaction using fluent code for hydrogen production using nuclear technology

Energy Technology Data Exchange (ETDEWEB)

Chi, Jung Sik [The Institute of Machinery and Electronic Technology, Mokpo National Maritime University, Mokpo (Korea, Republic of); Shin, Young Joon; Lee, Ki Young [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Choi, Jae Hyuk [Division of Marine Engineering System, Korea Maritime and Ocean University, Busan (Korea, Republic of)

2015-06-15

The operating characteristics of hydrogen iodide (HI) decomposition for hydrogen production were investigated using the commercial computational fluid dynamics code, and various factors, such as hydrogen production, heat of reaction, and temperature distribution, were studied to compare device performance with that expected for device development. Hydrogen production increased with an increase of the surface-to-volume (STV) ratio. With an increase of hydrogen production, the reaction heat increased. The internal pressure and velocity of the HI decomposer were estimated through pressure drop and reducing velocity from the preheating zone. The mass of H2O was independent of the STV ratio, whereas that of HI decreased with increasing STV ratio.

Analysis of the relationship between the coal properties and their liquefaction characteristics by using the coal data base; Tanshu data base ni yoru tanshitsu to ekika tokusei no kaiseki

Energy Technology Data Exchange (ETDEWEB)

Kanbayashi, Y.; Okada, K. [Coal Mining Research Center, Tokyo (Japan)

1996-10-28

The relationship between coal properties and liquefaction or gasification characteristics was analyzed by using the analysis and test results and liquefaction characteristics in the coal data base. On liquefaction reaction, the close relation between an oil yield and coal constituent composition or a coal rank is well-known. Various multivariable regression analyses were conducted by using 6 factors as variables such as calorific value, volatile component, O/C and H/C atomic ratios, exinite+vitrinite content and vitrinite reflectance, and liquefaction characteristics as variate. On liquefaction characteristics, the oil yield of dehydrated and deashed coals, asphaltene yield, hydrogen consumption, produced water and gas quantities, and oil+asphaltene yield were predicted. The theoretical gasification efficiency of each specimen was calculated to evaluate the liquefaction reaction obtained. As a result, the oil yield increased with H/C atomic ratio, while the theoretical gasification efficiency increased with O/C atomic ratio. 5 figs., 1 tab.

Japan`s New Sunshine Project. 1996 Annual Summary of Coal Liquefaction and Gasification; 1996 nendo new sunshine keikaku seika hokokusho gaiyoshu. Sekitan no ekika gasuka

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-11-01

In reference to the results of the research and development under the fiscal 1996 New Sunshine Project, a report was summed up on coal liquefaction and coal gasification. As to the R and D of coal liquefaction technology, researches were conducted on liquefaction characteristics and engineering properties by coal kind, catalysts for coal liquefaction, liquefaction reaction of coal and reformation utilization of the liquefied products, liquefaction reaction mechanism and coking mechanism, solubility of coal in solvent and catalytic reaction mechanism, solvent reaction mechanism by hydrogen donor solvent, etc. Concerning the R and D of coal gasification technology, made were the basic study of eco-technology adaptable gasification technology and the study of coal gasification enhancing technology. Further, as to the development of bituminous coal liquefaction technology, carried out were the study in pilot plants and the support study of pilot plants. Additionally, R and D were done of the basic technology of coal liquefaction such as upgrading technology and environmentally acceptable coal liquefaction technology, and of coal hydrogasification technology. 3 refs., 81 figs., 25 tabs.

Reaction of Hydrogen Sulfide with Oxygen in the Presence ofSulfite

Energy Technology Data Exchange (ETDEWEB)

Weres, Oleh; Tsao, Leon

1983-01-01

Commonly, abatement of hydrogen sulfide emissions from a geothermal powerplant requires that hydrogen sulfide dissolved in the cooling water be eliminated by chemical reaction. Oxidation by atmospheric oxygen is the preferred reaction, but requires a suitable catalyst. Nickel is the most potent and thereby cheapest catalyst for this purpose. One Mg/L nickel in the cooling water would allow 99% removal of hydrogen sulfide to be attained. A major drawback of catalytic air oxidation is that colloidal sulfur is a major reaction product; this causes rapid sludge accumulation and deposition of sulfur scale. The authors studied the kinetics and product distribution of the reaction of hydrogen sulfide with oxygen, catalyzed by nickel. Adding sodium sulfite to the solution completely suppresses formation of colloidal sulfur by converting it to thiosulfate. The oxidation reaction is an autocatalytic, free radical chain reaction. A rate expression for this reaction and a detailed reaction mechanism were developed. Nickel catalyzes the chain initiation step, and polysulfidoradical ions propagate the chains. Several complexes of iron and cobalt were also studied. Iron citrate and iron N-hydroxyEDT are the most effective iron based catalysts. Uncomplexed cobalt is as effective as nickel, but forms a precipitate of cobalt oxysulfide and is too expensive for practical use.

Reaction of hydrogen sulfide with oxygen in the presence of sulfite

Energy Technology Data Exchange (ETDEWEB)

Weres, O.; Tsao, L.

1983-01-14

Commonly, abatement of hydrogen sulfide emission from a geothermal powerplant requires that hydrogen sulfide dissolved in the cooling water be eliminated by chemical reaction. Oxidation by atmospheric oxygen is the preferred reaction, but requires a suitable catalyst. Nickel is the most potent and thereby cheapest catalyst for this purpose. One mg/L nickel in the cooling water would allow 99% removal of hydrogen sulfide to be attained. A major drawback of catalytic air oxidation is that colloidal sulfur is a major reaction product; this causes rapid sludge accumulation and deposition of sulfur scale. We studied the kinetics and product distribution of the reaction of hydrogen sulfide with oxygen, catalyzed by nickel. Adding sodium sulfite to the solution completely suppresses formation of colloidal sulfur by converting it to thiosulfate. The oxidation reaction is an autocatalytic, free radical chain reaction. A rate expression for this reaction and a detailed reaction mechanism were developed. Nickel catalyzes the chain initiation step, and polysulfidoradical ions propagate the chains. Several complexes of iron and cobalt were also studied. Iron citrate and iron N-hydroxyEDTA are the most effective iron based catalysts. Uncomplexed cobalt is as effective as nickel, but forms a precipitate of cobalt oxysulfide and is too expensive for practical use. 33 figures, 9 tables.

Main component analysis of nuclear magnetic resonance /sup 1/H and /sup 13/C quantitative spectra of hydrogenation products of tars from Kansk-Achinsk Achinsk and Cheremkhovsk coals

Energy Technology Data Exchange (ETDEWEB)

Kushnarev, D.F.; Polonov, V.M.; Donskikh, V.I.; Rokhina, E.F.; Kalabin, G.A.

1986-03-01

Possibility is discussed of examining nuclear magnetic resonance /sup 1/H and /sup 13/C quantitative spectra of coal tar hydrogenation products using main component factorial analysis and applying special mathematical methods of processing experimental data. Nuclear magnetic resonance spectra of hydrogenation products of low temperature Cheremkhovsk coal carbonization tar and rapid pyrolysis Kansk-Achinsk coal tar were obtained on a WP-200SY (Bruker) spectrometer at 50.3 and 200.1 MHz, respectively. Data processing was carried out on an ODRA-1304 computer. Comparative correlation of parameters are given of tars and hydrogenation products which consist of hydrogenation of aromatic cycles and destruction of alkyl substituents, and factorial loads on structural parameters of tar hydrogenation products. 11 references.

Report on the achievements in the Sunshine Project in fiscal 1991 on research and development of coal energy. Studies on coal liquefying catalysts and a method for analyzing liquefied oil; 1991 nendo sekitan ekikayo shokubai oyobi ekikayu bunseikiho no kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1992-03-01

This paper describes the achievements in the Sunshine Project in fiscal 1991 on research of coal liquefying catalysts and a method for analyzing liquefied oil. Alkalis and alkali earth metals present during coal liquefied oil hydrogenation treatment deteriorate the activity remarkably as an effect of metal deposition from an Mo-based catalyst on the activity deterioration. Discussions were given on hydrogenating decomposition paths for bi-cyclic compounds by using reaction of model substances. Preliminary discussions were given jointly under the Japanese and Canadian technical cooperation on enhancing the quality of co-treated oil in the coal liquefaction, and on catalysts used therein. A 1-t/d PSU circulating solvent was studied to support the NEDO's bituminous coal liquefaction program. Analyses were carried out on acenaphthenes, biphenyls, phenanthrenes, and anthracenes in the oil liquefied from Wandoan coal. Discussions were given on CoMo/Al{sub 2}O{sub 3} on the effects of catalyst concentrations and particle sizes in the coal liquefying reaction. In order to elucidate different non-covalently bonded high-order structures of coal polymer assemblies, chemical treatment was applied to coals under a relatively mild condition (room temperature to 150 degrees C). Chemical structures as a result of the non-covalent bond in the coals were investigated from change due to the treatment in the pyridine extraction characteristics. (NEDO)

Report on the achievements in the Sunshine Project in fiscal 1991 on research and development of coal energy. Studies on coal liquefying catalysts and a method for analyzing liquefied oil; 1991 nendo sekitan ekikayo shokubai oyobi ekikayu bunseikiho no kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1992-03-01

This paper describes the achievements in the Sunshine Project in fiscal 1991 on research of coal liquefying catalysts and a method for analyzing liquefied oil. Alkalis and alkali earth metals present during coal liquefied oil hydrogenation treatment deteriorate the activity remarkably as an effect of metal deposition from an Mo-based catalyst on the activity deterioration. Discussions were given on hydrogenating decomposition paths for bi-cyclic compounds by using reaction of model substances. Preliminary discussions were given jointly under the Japanese and Canadian technical cooperation on enhancing the quality of co-treated oil in the coal liquefaction, and on catalysts used therein. A 1-t/d PSU circulating solvent was studied to support the NEDO's bituminous coal liquefaction program. Analyses were carried out on acenaphthenes, biphenyls, phenanthrenes, and anthracenes in the oil liquefied from Wandoan coal. Discussions were given on CoMo/Al{sub 2}O{sub 3} on the effects of catalyst concentrations and particle sizes in the coal liquefying reaction. In order to elucidate different non-covalently bonded high-order structures of coal polymer assemblies, chemical treatment was applied to coals under a relatively mild condition (room temperature to 150 degrees C). Chemical structures as a result of the non-covalent bond in the coals were investigated from change due to the treatment in the pyridine extraction characteristics. (NEDO)

Coal gasification. Quarterly report, January--March 1977

Energy Technology Data Exchange (ETDEWEB)

None

1977-12-01

High-Btu natural gas has a heating value of 950 to 1,000 Btu per standard cubic foot, is composed essentially of methane, and contains virtually no sulfur, carbon monoxide, or free hydrogen. The conversion of coal to high-Btu gas requires a chemical and physical transformation of solid coal. However, because coal has widely differing chemical and physical properties, depending on where it is mined, it is difficult to process. Therefore, to develop the most suitable techniques for gasifying coal, ERDA, together with the American Gas Association is sponsoring the development of several advanced conversion processes. Although the basic coal-gasification chemical reactions are the same for each process, the processes under development have unique characteristics. A number of the processes for converting coal to high Btu and to low Btu gas have reached the pilot plant stage. The responsibility for designing, constructing and operating each of these pilot plants is defined and progress on each during the quarter is described briefly. The accumulation of data for a coal gasification manual and the development of mathematical models of coal gasification processes are reported briefly. (LTN)

Applications of heavy-ion reactions on hydrogen isotopes

International Nuclear Information System (INIS)

Evers, E.J.

1987-01-01

This thesis describes various aspects of 'inverse' reactions between the lightest nuclides, hydrogen and deuterium, and heavy ions in the range from carbon to phosphorus. The reactions studied in this thesis always result in one light ejectile and one excited heavy nucleus. Coincidence experiments have been performed in which both the emitted light particle and the gamma radiation emitted by the excited heavy nucleus produced, are detected. Ch. 1 describes the system built for the acquisition of data obtained in such coincidence experiments. Ch. 2 describes precision measurements of nuclear lifetimes and stopping powers. Coincident Doppler shift attenuation (DSA) experiments were performed with the reaction 2 H( 31 P,pγ) 32 P at E( 31 P 7+ )=50 MeV and thin Ti 2 H targets on Au, Ag and Cu backings. Mean lifetimes of the E x =513, 1150, 1323 and 1755 levels were determined with experimental stopping powers of Forster et al. These lifetimes were used as input in further analysis of the experimental data and of an additional experiment with a target on Mg backing to determine a consistent set of stopping power data for P ions with a velocity in the range 0-8(c/137) in the four materials mentioned. Ch.'s 3 and 4 deal with narrow resonances in reactions of nitrogen and fluorine beams with hydrogen targets. In Ch. 3 a method is described for the calibration of analyzing-magnet systems of heavy-ions accelerators. Ch. 4 describes an experiment to investigate the hydrogen concentration in silicon nitride films using a resonant inverse nuclear reaction. This method turns out to be a very suitable one for determining hydrogen concentration profiles with a good depth resolution over a large depth. 69 refs.; 23 figs.; 7 tabs

Application of zeolite-based catalyst to hydrocracking of coal-derived liquids

Energy Technology Data Exchange (ETDEWEB)

Shimada, H.; Sato, T.; Yoshimura, Y.; Hinata, A.; Yoshitomi, S.; Castillo Mares, A.; Nishijima, A. (National Chemical Laboratory for Industry, Tsukuba (Japan))

1990-06-01

Y-zeolite supported catalysts were applied to the hydrocracking of coal-derived liquids. By the introduction of two-stage upgrading consisting of hydrotreating and hydrocracking, Wandoan coal-derived middle distillate was hydrocracked over Ni-Mo/Y-zeolite, producing a high gasoline fraction yield. Zeolite supported catalysts gave little hydrocracked compounds in the hydroprocessing of coal-derived heavy oils, even after hydrotreatment. The reaction inhibitors which seriously poison the active sites of zeolites were found to be small nitrogen-containing molecules. In the hydroprocessing of coal-derived heavy oils, zeolite supported catalysts were inferior to alumina supported catalysts. This is due to the high hydrocracking but low hydrogenation activity of zeolite supported catalysts. 22 refs., 5 figs., 11 tabs.

Thermal behaviour during the pyrolysis of low rank perhydrous coals

Energy Technology Data Exchange (ETDEWEB)

Arenillas, A.; Rubiera, F.; Pis, J.J.; Cuesta, M.J.; Suarez-Ruiz, I. [Instituto Nacional del Carbon, CSIC, Apartado 73, 33080 Oviedo (Spain); Iglesias, M.J. [Area de Quimica Organica, Universidad de Almeria, Carretera de Sacramento, 04120 Almeria (Spain); Jimenez, A. [Area de Cristalografia y Mineralogia, Departamento de Geologia, Campus de Llamaquique, 33005 Oviedo (Spain)

2003-08-01

Perhydrous coals are characterised by high H/C atomic ratios and so their chemical structure is substantially modified with respect to that of conventional coals. As a result, perhydrous coals show different physico-chemical properties to common coals (i.e. higher volatile matter content, enhancement of oil/tar potential, relatively lower porosity and higher fluidity during carbonisation). However, there is little information about thermal behaviour during the pyrolysis of this type of coal. In this work, six perhydrous coals (H/C ratio between 0.83 and 1.07) were pyrolysed and analysed by simultaneous thermogravimetry/mass spectrometry. The results of this work have revealed the influence of high H/C values on the thermal behaviour of the coals studied. During pyrolysis the perhydrous coals exhibit very well defined, symmetrical peaks in the mass loss rate profiles, while normal coals usually show a broader peak. The shape of such curves suggests that in perhydrous coals fragmentation processes prevailed over condensation reactions. The high hydrogen content of perhydrous coals may stabilise the free radicals formed during heat treatment, increasing the production of light components.

FY 1981 Report on the results of Sunshine Project. Coal energy; 1981 nendo sunshine keikaku seika hokokusho. Sekitan energy

Energy Technology Data Exchange (ETDEWEB)

NONE

1981-07-01

This report presents the results of (researches on solvolysis liquefaction mechanisms and reaction promotion with oil- and coal-based solvents), conducted as part of the research and development project for coal liquefaction techniques. The FY 1981 program includes researches on (1) the effects of liquefaction reaction conditions on liquefaction yield and production of light products for coal species of low degree of carbonization, including brown coal, (2) the effects of pretreatment of coal on its liquefaction reactivity, and (3) up-grading of the solvolysis coal liquid (SCL). For the item (1), HA240 (hydrogenated Ashland's A240) is used to investigate its liquefaction capacity for various coal species of low degree of carbonization, including brown coal. For the item (2), the effects of pretreatment in a hot water bath with reflux was investigated for sub-bituminous coal in the FY 1980. In the FY 1981, various pretreatment methods are attempted for enhancing liquefaction reactivity of brown coal. As a result, it is found that ash content of brown coal is decreased to one-third of the initial level, when it is treated in a diluted hydrochloric acid bath with reflux. For the item (3), SCL hydrogenated by Birch reduction (B-SCL, 1) is compared with H-SCL with respect to properties, structures and thermal crackability, to discuss the items required for the catalyst to be used in the second stage by clarifying effectiveness of the catalyst. (NEDO)

Characterization of catalytically hydrotreated coal liquid produced by solvolytic liquefaction in petroleum asphalt

Energy Technology Data Exchange (ETDEWEB)

Mochida, I.; Oishi, T.; Korai, Y.; Fujitsu, H.; Takeshita, K.

1983-03-01

A hydrotreated coal liquid produced by solvolytic liquefaction of a feed originally consisting of 66% petroleum asphalt and 34% coal liquid was characterized. The hydrotreatment was carried out over a Co-Mo catalyst in order to upgrade moderately and selectively the coal-derived fraction. The present process was found very effective to depolymerize rather selectively the coal-derived fraction, originally benzene insoluble, to be soluble in benzene in the dominant presence of petroleum asphalt, while 20% of the asphalt was converted to be distillable with ..cap alpha..-methylnaphthalene (the hydrotreatment solvent). Structural analyses of the fractions before and after hydrotreatment were compared to reveal what kinds of chemical reactions had taken place during hydro treatment. The major reactions of the coal derived fraction are hydrodeoxygenation and hydrodealkylation, both of which are effective for depolymerization. No significant hydrogenation on aromatic rings was observed. Hydrotreated liquid was further pyrolyzed to obtain oils and cokes of high quality. (14 refs.)

Study on the hydrothermal treatment of Shenhua coal

Energy Technology Data Exchange (ETDEWEB)

Zhicai Wang; Hengfu Shui; Zhanning Pei; Jinsheng Gao [Anhui University of Technology, Ma' anshan (China). School of Chemistry and Chemical Engineering

2008-04-15

In this paper, the hydrothermal treatment of Shenhua coal was carried out under 0.1 MPa (initial pressure) nitrogen and different temperature. Effects of hydrothermal treatment on the structure and the hydro-liquefaction activity of Shenhua coal were investigated by the ultimate and proximate analyses, the FTIR measurements and TG analyses of hydrothermally treated coals, and the characterizations of extraction and swelling properties, and the batch hydro-liquefaction of treated coal were also carried out. The results indicate that hydrothermal treatment above 200{sup o}C can increase the hydrogen content of treated coal and decrease the yield of volatiles and the content of ash, especially a large amount of CO and CH{sub 4} are found in gas products obtained by the hydrothermal treatment above 250{sup o}C. Hydrothermal treatment disrupts the weak covalent bond such as ether, ester and side-chain substituent by hydrolysis and pyrolysis, and changes the distribution of H-bond in coal. The swelling ratio and the Soxhlet extraction yield of treated coal decrease with the increase of hydrothermal treatment temperature. The conversion of liquefaction and the yield of CS{sub 2}/NMP mixed solvent extraction at ambient temperature are enhanced by hydrothermal treatment at 300{sup o}C. Therefore hydrogen donation reactions and the rupture of non-covalent bond and weak covalent bonds present in the process of hydrothermal treatment resulting in the changes of structure and reactivity of Shenhua coal. The results show that the hydro-liquefaction activity of Shenhua coal can be improved by hydrothermal pretreatment between 250{sup o}C and 300{sup o}C. 15 refs., 5 figs., 4 tabs.

Reaction-diffusion modeling of hydrogen in beryllium

Energy Technology Data Exchange (ETDEWEB)

Wensing, Mirko; Matveev, Dmitry; Linsmeier, Christian [Forschungszentrum Juelich GmbH, Institut fuer Energie- und Klimaforschung - Plasmaphysik (Germany)

2016-07-01

Beryllium will be used as first-wall material for the future fusion reactor ITER as well as in the breeding blanket of DEMO. In both cases it is important to understand the mechanisms of hydrogen retention in beryllium. In earlier experiments with beryllium low-energy binding states of hydrogen were observed by thermal desorption spectroscopy (TDS) which are not yet well understood. Two candidates for these states are considered: beryllium-hydride phases within the bulk and surface effects. The retention of deuterium in beryllium is studied by a reaction rate approach using a coupled reaction diffusion system (CRDS)-model relying on ab initio data from density functional theory calculations (DFT). In this contribution we try to assess the influence of surface recombination.

Development of coal energy utilization technologies

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-09-01

Coal liquefaction produces new and clean energy by performing hydrogenation, decomposition and liquefaction on coal under high temperatures and pressures. NEDO has been developing bituminous coal liquefaction technologies by using a 150-t/d pilot plant. It has also developed quality improving and utilization technologies for liquefied coal, whose practical use is expected. For developing coal gasification technologies, construction is in progress for a 200-t/d pilot plant for spouted bed gasification power generation. NEDO intends to develop coal gasification composite cycle power generation with high efficiency and of environment harmonious type. This paper summarizes the results obtained during fiscal 1994. It also dwells on technologies to manufacture hydrogen from coal. It further describes development of technologies to manufacture methane and substituting natural gas (SNG) by hydrogenating and gasifying coal. The ARCH process can select three operation modes depending on which of SNG yield, thermal efficiency or BTX yield is targeted. With respect to promotion of coal utilization technologies, description is given on surveys on development of next generation technologies for coal utilization, and clean coal technology promotion projects. International coal utilization and application projects are also described. 9 figs., 3 tabs.

A study on hydrogen bond in coal macerals with in situ diffuse reflectance FTIR by using a new experimental method

Energy Technology Data Exchange (ETDEWEB)

Li, D.T.; Li, W.; Sun, Q.L.; Li, B.Q. [Chinese Academy of Science, Taiyuan (China). Inst. for Coal Chemistry

2003-04-01

A new method using the small porcelain as the reactor combined with increasing the flow rate of carrier gas was proposed, which has the advantage of excluding the condensation of volatile produced by heated solid samples on the windows during in situ diffuse reflectance FTIR experiment. Moreover, the feasibility of this method was also discussed. Using this method, the distribution and thermal stability of hydrogen bonds in coal macerals obtained from two coals were studied. The results show that the differences between the distribution of hydrogen bonds formed by hydroxyl group in the macerals of two coals were very similar. For the vitrinites the thermal stability of SH-N, carboxylic acid dimmers and self-associated OH is higher than those in inertinites but for OH-N and hydroxyl tetramers and OH-OR{sub 2} there are no obvious laws. For OH-{pi}, its content increased with increasing temperature to 350-380{sup o}C, and then decreased with further heating. The variation of hydrogen bonds in macerals reflects the difference in their structure.

Fiscal 1989 report. Coal liquefaction committee; 1989 nendo sekitan ekika iinkai hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1990-03-01

The committee in this fiscal year had its 1st meeting in June 1989 and 2nd meeting in March 1990, when fiscal 1989 research and development programs and fiscal 1989 research and development results, etc., were reported and discussed. The operating status of the 1 ton/day PSU (process supporting unit) for bituminous coal liquefaction was reported and discussed. The report included its 1st operation for the demonstration of a long-term stable run under standard conditions that continued for trouble-free 50 days, the 2nd operation for the investigation of the effect of liquefaction reaction temperature in which the liquefaction yield recorded the maximum at 450 degrees C with the collection of coal oils of 55 wt.% on the average, and the 3rd operation for the investigation of the effects of liquefaction reaction pressure and catalyst injection size whose details were being analyzed. Reported in relation with the brown coal liquefaction pilot plant was a comprehensive operation of a series of 1st hydrogenation, solvent deashing, and 2nd hydrogenation processes completed after a continuous operation of 460 hours establishing a total operating time of 1050 hours. (NEDO)

Advanced direct liquefaction concepts for PETC generic units. [Mainly, the effect of preteatment of coal with carbon monoxide and steam

Energy Technology Data Exchange (ETDEWEB)

1992-08-01

CAER/UK: Detail coal and starting solvents from Wilsonville were analyzed to develop the data necessary to conduct process studies in the CO Pretreatment and Catalyst Evaluation segment of this program. A comparison of the solvent separation analysis with the distillation/separation used at Wilsonville showed that the residual solvent components contained a large amount of residual pentane soluble products. The ashy resid contained 3% iron and 400 ppM molybdenum. Although the iron content in the distillate and deashed resid was much less, namely about 200 ppM., the molybdenum concentrations in these fractions were not significantly reduced over the concentration in the ashy resid, i.e., 200 ppM in each. The pretreatment of coal with CO/H{sub 2}O in the presence of NaOH and Na{sub 2}CO{sub 3} has been shown to give a product which is lower in oxygen content and higher in hydrogen content compared to the raw coal. The atomic H/C ratios of the H{sub 2}O-insolubles, THF insolubles and the PA+A fractions of the products-together with the hydrogen consumption data suggested that the raw coal has been substantially depolymerized and hydrogenated via the WGS reaction during the pretreatment process. The extensive amount of molecular reconstruction that has occurred in the solid product was evident from the ease of solubilization of the product into pyridine. The result of the pretreatment process is a product which is highly reactive under hydroliquefaction conditions at 400{degrees}C. Reaction rates seem to be much faster than the raw coal, especially at shorter reaction times, providing the opportunity for major reductions in plant vessel sizes, and preliminary data has led us to believe that better efficiency in hydrogen utilization is achieved.

Increase in extraction yields of coals by water treatment

Energy Technology Data Exchange (ETDEWEB)

Masashi Iino; Toshimasa Takanohashi; Chunqi Li; Haruo Kumagai [National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba (Japan). Institute for Energy Utilization

2004-10-01

The effect of water treatment at 500 and 600 K on solvent extractions of Pocahontas No. 3 (PO), Upper Freeport (UF), and Illinois No. 6 (IL) coals was investigated. All the coals used show that the water treatments at 600 K increased the extraction yields greatly in the extractions with a 1:1 carbon disulfide/N-methyl-2-pyrrolidinone (CS{sub 2}/NMP) mixed solvent, NMP, or 1-methylnaphthalene (1-MN). However, the water treatments at 500 K and the heat treatments at 600 K without water gave only a slight increase in the yields. Characterizations of the water-treated coals were performed using ultimate and proximate compositions, Fourier transform infrared analysis, solvent swelling, nuclear magnetic resonance relaxation time, and viscoelasticity behavior. The swelling degree in methanol and toluene was increased by the water treatment at 600 K, suggesting that crosslinks become loosened by the treatment. The results of infrared analysis and the extraction temperature dependency of the extraction yields with NMP and 1-MN suggest that the loosening of {pi} - interactions, and of both {pi} - interactions and hydrogen bonds, are responsible for the yield enhancements for PO and UF coals, respectively. However, for IL coal, which exhibited a decrease in oxygen content and the amount of hydrogen-bonded OH, suggesting the occurrence of some chemical reactions, the yield enhancements may be due to the relaxation of hydrogen bonds and the removal of oxygen functional groups, such as the breaking of ether bonds. 17 refs., 3 figs., 5 tabs.

Borane-catalyzed cracking of C-C bonds in coal; Boran-katalysierte C-C-Bindungungsspaltung in Steinkohle

Energy Technology Data Exchange (ETDEWEB)

Narangerel, J; Haenel, M W [Max-Planck-Institut fuer Kohlenforschung, Muelheim an der Ruhr (Germany)

1998-09-01

Coal, especially coking coal, was reacted with hydrogen at comparatively mild reaction conditions (150-280 degrees centigrade, 20 MPa hydrogen pressure) in the presence of catalysts consisting of borange reagents and certain transition metal halides to obtaine more than 80 percent of pyridine-soluble products. The influence of the degree of coalification, catalyst and temperature on the borane-catalyzed hydrogenolysis of C-C bonds in coal was investigated. (orig.) [Deutsch] Steinkohlen, insbesondere im Inkohlungsbereich der Fettkohlen (Kokskohlen), werden in Gegenwart von Katalysatoren aus Boran-Reagentien und bestimmten Uebergangsmetallhalogeniden mit Wasserstoff bei vergleichsweise milden Reaktionsbedingungen (250-280 C, 20 MPa Wasserstoffdruck) in zu ueber 80% pyridinloesliche Produkte umgewandelt. Der Einfluss von Inkohlungsgrad, Katalysator und Temperatur auf die Boran-katalysierte C-C-Bindungshydrogenolyse in Kohle wurde untersucht. (orig.)

Survey on peripheral techniques of brown coal liquefaction techniques; Kattan ekika gijutsu ni kansuru shuhen gijutsu no chosa

Energy Technology Data Exchange (ETDEWEB)

NONE

1980-09-01

Described herein are results of survey on brown coal liquefaction techniques and peripheral techniques, centered by COSTEAM process under development in USA, solubilization by alcohol and liquefaction and cracking with the aid of tetrahydroquinoline as the hydrogen donor under development in Japan, and low-temperature carbonization and new promising techniques. The COSTEAM process shows higher reaction rates, conversions and oil yields for brown coal liquefaction than the one using hydrogen gas. Some of the problems involved in this process high viscosity and oxygenated compound content of the product oil. The product oil is acceptable as fuel for power generating plants and can be produced at a moderate cost, but may be unsuitable as vehicle fuel. Coal liquefaction and solubilization processes are mainly represented by those which use hydrogen. The hydrogen cost, which is high, determines the product price. The processes which use alcohol or tetrahydroquinoline are still in the experimental stage. (NEDO)

Purification of free hydrogen or hydrogen combined in a gaseous mixture by chemical reactions with uranium

International Nuclear Information System (INIS)

Caron-Charles, M.; Gilot, B.

1989-01-01

Within the framework of the European fusion program, the authors are dealing with the tritium technology aspect. Hydrogen, free or under a combined form within a H 2 , N 2 , NH 3 , O 2 , gaseous mixture, can be purified by chemical reactions with uranium metal. The resulting reactions consist in absorbing the impurities without holding back H 2 . Working conditions have been defined according to two main goals: the formation of stable solid products, especially under hydrogenated atmosphere and the optimization of the material quantities to be used. Thermodynamical considerations have shown that the 950-1300 K temperature range should be suitable for this chemical process. Experiments performed with massive uranium set in a closed reactor at 973 K, have produced hydrogen according to the predicted reactions rates. But they have also pointed out the importance of interferences that might occur in the uranium-gas system, on the gases conversion rates. The comparison between the chemical kinetic ratings of the reactions of pure gases and the chemical kinetic ratings of the reactions of the same gases in mixture, has been set up. It proves that simultaneous reactions can modify the working conditions of the solid products formation, and particularly modify their structure. In this case, chemical kinetic ratings are increased up to their maximal value; that means surface phenomena are favoured as with uranium powder gases reactions. (orig.)

Japan`s sunshine project. 17.. 1992 annual summary of coal liquefaction and gasification

Energy Technology Data Exchange (ETDEWEB)

1993-09-01

This report describes the achievement of coal liquefaction and gasification technology development in the Sunshine Project for FY 1992. It presents the research and development of coal liquefaction which includes studies on reaction mechanism of coal liquefaction and catalysts for coal liquefaction, the research and development of coal gasification technologies which includes studies on gasification characteristics of various coals and improvement of coal gasification efficiency, the development of bituminous coal liquefaction which includes engineering, construction and operation of a bituminous coal liquefaction pilot plant and research by a process supporting unit (PSU), the development of brown coal liquefaction which includes research on brown coal liquefaction with a pilot plant and development of techniques for upgrading coal oil from brown coal, the development of common base technologies which includes development of slurry letdown valves and study on upgrading technology of coal-derived distillates, the development of coal-based hydrogen production technology with a pilot plant, the development of technology for entrained flow coal gasification, the assessment of coal hydrogasification, and the international co-operation. 4 refs., 125 figs., 39 tabs.

Studies on the catalysts for coal liquefaction. ; Kinetic discussion in initial stage of coal liquefaction. Sekitan ekikayo shokubai ni kansuru kenkyu. ; Sekitan ekika shoki dankai no sokudoronteki kosatsu

Energy Technology Data Exchange (ETDEWEB)

Muraoka, T; Ikenaga, N; Oda, H; Yokokawa, C [Kansai University, Osaka (Japan). Faculty of Engineering

1990-11-29

Discussions were given on features of various kinds of coal liquefaction catalysts exhibited by them in hydrocracking of coal (Taiheiyo coal), and particularly on selectivity of the reaction in its initial stage. Four kinds of catalysts were tested: Adkins catalyst which is an oxide of copper and chromium, Fe2O3+S, Mo-TiO2 and MoS3-Al2O3. Three grams of coal and 0.3 gram each of the catalysts were charged into an autoclave reactor and experiment was conducted under an initial hydrogen pressure of 10 MPa, temperatures from 653 K to 693 K and for durations of 0 to 120 minutes to derive apparent reaction rate constants. The MoS3-Al2O3 catalyst has promoting the reaction apparently in the primary reaction at any temperature, while the other catalysts had the rate constants varied in the initial and the later stages. It was recognized that the temperature dependence of rate constants varies considerably according to the types of catalyst. Particularly the MoO3-TiO3 catalyst has small temperature dependence in the rate constants, and high molecular weight reducing power. 3 refs., 4 figs., 3 tabs.

Fiscal 1999 research cooperation project report. Research cooperation on coal liquefaction technology; 1999 nendo sekitan ekika gijutsu ni kansuru kenkyu kyoryoku jigyo

Energy Technology Data Exchange (ETDEWEB)

NONE

2000-03-01

This report summarizes the fiscal 1999 research cooperation project result on coal liquefaction technology. Cooperative FS was made on coal liquefaction technology of Indonesian coal as petroleum substituting energy. To obtain the basic data necessary for the FS, study was made on the applicability of Indonesian natural minerals as catalytic materials. Promising low-cost abundant Soroako Limonite ore showed a high catalytic activity for liquefaction reaction of Banko coal, and an excellent grindability. Improved BCL process including hydrogenation process was promising for production of high-quality coal liquid superior in storage stability with less nitrogen and sulfur contents. Survey was made on the general conditions of Tanjung Enim area including South Banko coal field concerned, and the geological features and coal seam of South Banko coal field which is composed of 3 seams including coal deposits of 6.35 hundred million tons. To study the marketability of coal liquid, survey was made on the current situation of oil, oil product standards, and blendability of coal liquid. Hydrogen for the liquefaction process can be obtained by coal gasification. (NEDO)

Method for increasing the calorific value of gas produced by the in situ combustion of coal

Science.gov (United States)

Shuck, Lowell Z.

1978-01-01

The present invention relates to the production of relatively high Btu gas by the in situ combustion of subterranean coal. The coal bed is penetrated with a horizontally-extending borehole and combustion is initiated in the coal bed contiguous to the borehole. The absolute pressure within the resulting combustion zone is then regulated at a desired value near the pore pressure within the coal bed so that selected quantities of water naturally present in the coal will flow into the combustion zone to effect a hydrogen and carbon monoxide-producing steam-carbon reaction with the hot carbon in the combustion zone for increasing the calorific value of the product gas.

Report for fiscal 1994 by gasification technology subcommittee, Coal Gasification Committee; 1994 nendo sekitan gas ka iinkai gas ka gijutsu bukai hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-03-01

As the result of a RUN-9 operation in the research on technologies for hydrogen production from coal and for pilot plants, it is found that the Muswellbrook, Datong, and Blair Athol coals are all suitable for gasification in pilot plants. Their handlability is considerably improved when the grain sizes after crushing are allowed to remain coarse (with the Blair Athol coal still retaining some disadvantage). A concept design is prepared for a HYCOL (hydrogen from coal) process demonstration plant. The reference coal is an imported coal similar to the Taiheiyo coal, and the hydrogen production target is set at 1-million m{sup 3}N/d (590t/d in terms of Taiheiyo coal) and hydrogen purity at 95% or higher. The whole process consists of coal gasification (with oxygen serving as gasification agent), dedusting, conversion to CO, desulfurization and decarboxylation (recovery of sulfur), and methanation. The gasification furnace is a 1-chamber entrained bed type with a 2-stage gyration flow. Dried and pulverized coal is conveyed aboard an air flow into the gasification furnace, where it is thrown into partial combustion reaction with the gasification agent for gasification in a high-temperature zone (1,500-1,600 degrees C), and the ash is taken out as slag. The generated gas is cooled in a heat recovery boiler, dedusted in a cyclone dust filter, and then forwarded to the washing unit. (NEDO)

Measurement of hydrogen in BCN films by nuclear reaction analysis

Energy Technology Data Exchange (ETDEWEB)

Yasui, Haruyuki; Hirose, Yukio; Sasaki, Toshihiko [Kanazawa Univ. (Japan); Awazu, Kaoru [Industrial Research Inst., of Ishikawa, Kanazawa (Japan); Naramoto, Hiroshi [Japan Atomic Energy Research Inst., Takasaki, Gunma (Japan). Takasaki Radiation Chemistry Research Establishment

2001-07-01

Hydrogen is a very common contaminant in carbon films. It can strongly influence on mechanical, physical and chemical properties of the films. The analysis of hydrogen is therefore a crucial problem produce the films with the properties required. Ion beam techniques using nuclear reactions are effective for the quantitative determination of hydrogen concentration. A specially designed spectrometer is employed for the detailed determination of hydrogen concentrations by detecting 4.43MeV {gamma}-rays from the resonant nuclear reactions {sup 1}H({sup 15}N, {alpha}{gamma}){sup 12}C at the 6.385MeV. In this study, the BCN films were formed on silicon substrate by ion beam assisted deposition (IBAD), in which boron and carbon were deposited by electron beam heating of B{sub 4}C solid and nitrogen was supplied by ion implantation simultaneously. The concentrations of hydrogen in BCN films were measured using RNRA. The mechanical properties of BCN films were evaluated using an ultra-micro-hardness tester. It was confirmed that the hardness of BCN films increased with increasing the concentration of hydrogen. (author)

Investigation of the formation of hydrogen cyanide in the coking of kuzbass coal. [Magnitogorsk Integrated Iron and Steel Works-USSR

Energy Technology Data Exchange (ETDEWEB)

Grigorev, N.P.; Zhilyaev, Yu.A.; Akulov, P.V.

1981-01-01

The experiments were performed using equipment which practically excluded deep pyrolysis of the vapor gas products. The hydrogen cyanide was recovered with 0.1 N caustic soda solution in the temperature range of 500 to 1000/sup 0/C. The HCN concentration was measured photometrically by the acid derivative formed as a result of the reaction of the cyanide radical with the barbituric acid amines. The dynamics of the HCN yield were investigated as a function of the heating rate, the degree of comminuition of the coal types and the charge. 2/3 of the HCN is formed as a result of pyrolysis of the vapor-gas products and 1/3 is attributed to the thermochemical conversion of organic matter.

Survey on development of brown coal liquefaction techniques; Kattan ekika gijutsu ni kansuru chosa

Energy Technology Data Exchange (ETDEWEB)

NONE

1980-09-01

Described herein are results of literature survey on brown coal liquefaction reactions and elementary techniques. Liquefaction of brown coal in the presence of CO and steam, or CO, H{sub 2} and steam has been investigated. It is not clear by the literature survey whether it is superior to the normal process which uses hydrogen. Brown coal contains moisture at high contents, and the drying techniques are necessary to be developed for its liquefaction. The future coal liquefaction plant will be much larger than the past one, and there are a number of problems to be solved, such as those involved in the designs of large-sized high-pressure slurry pumps, heat exchangers and preheaters. It is also necessary to develop the materials of and production techniques for large reactors which are serviceable under severe conditions. The solid-liquid separation for liquefaction products involves a number of the elementary techniques characteristic of coal liquefaction processes, and needs many technological developments. The one-stage brown coal liquefaction process is compared with the two-stage process for the secondary hydrogenation of SCR, but no clear conclusions are reached. (NEDO)

REGULATION OF COAL POLYMER DEGRADATION BY FUNGI

Energy Technology Data Exchange (ETDEWEB)

John A. Bumpus

1998-11-30

A variety of lignin degrading fungi mediate solubilization and subsequent biodegradation of coal macromolecules (a.k.a. coal polymer) from highly oxidized low rank coals such as leonardites. It appears that oxalate or possibly other metal chelators (i.e., certain Krebs Cycle intermediates) mediate solubilization of low rank coals while extracellular oxidases have a role in subsequent oxidation of solubilized coal macromolecule. These processes are under nutritional control. For example, in the case of P. chrysosporium, solubilization of leonardite occurred when the fungi were cultured on most but not all nutrient agars tested and subsequent biodegradation occurred only in nutrient nitrogen limited cultures. Lignin peroxidases mediate oxidation of coal macromolecule in a reaction that is dependent on the presence of veratryl alcohol and hydrogen peroxide. Kinetic evidence suggests that veratryl alcohol is oxidized to the veratryl alcohol cation radical which then mediates oxidation of the coal macromolecule. Results by others suggest that Mn peroxidases mediate formation of reactive Mn{sup 3+} complexes which also mediate oxidation of coal macromolecule. A biomimetic approach was used to study solubilization of a North Dakota leonardite. It was found that a concentration {approximately}75 mM sodium oxalate was optimal for solubilization of this low rank coal. This is important because this is well above the concentration of oxalate produced by fungi in liquid culture. Higher local concentrations probably occur in solid agar cultures and thus may account for the observation that greater solubilization occurs in agar media relative to liquid media. The characteristics of biomimetically solubilized leonardite were similar to those of biologically solubilized leonardite. Perhaps our most interesting observation was that in addition to oxalate, other common Lewis bases (phosphate/hydrogen phosphate/dihydrogen phosphate and bicarbonate/carbonate ions) are able to mediate

Ternary alloy nanocatalysts for hydrogen evolution reaction

Indian Academy of Sciences (India)

Generation of hydrogen through water splitting is an impor- tant area of research. ... Splitting of water using electricity makes this reaction feasible, but requires a catalyst to overcome .... The obtained product was dried in air and heated at 700.

Gasification of coal making use of nuclear processing heat

International Nuclear Information System (INIS)

Schilling, H.D.; Bonn, B.; Krauss, U.

1981-01-01

In the chapter 'Gasification of coal making use of nuclear processing heat', the steam gasification of brown coal and bituminous coal, the hydrogenating gasification of brown coal including nuclear process heat either by steam cracking methane in the steam reformer or by preheating the gasifying agent, as well as the hydrogenating gasification of bituminous coal are described. (HS) [de

Conceptual study of hydrogen donor solvent in the NEDOL coal liquefaction process

Energy Technology Data Exchange (ETDEWEB)

Kouzu, M.; Onozaki, M.; Oi, S. [Mitsui SRC Co Ltd, Tokyo (Japan)

2002-03-01

A 150 ton/day coal liquefaction pilot plant (PP) of the NEDOL process, supported by New Energy and Industrial Technology Development Organization (NEDO), was operated successfully for a total of 269 days at Kashima, Japan. With a great number of data obtained through the operation, the design procedure for the NEDOL process was studied. Middle and heavy oils from the coal employed were recycled as a hydrogen-donor solvent after hydrotreatment over Ni Mo/gamma-Al2O{sub 3} in a trickle bed reactor. The hydrogen donating ability of the solvent was high enough to obtain higher oil yield (50-58 wt%) at the aromaticity of ca. 0.45. Life expectancy of solvent hydrotreatment catalyst, requisite to the hydrotreater design, was estimated under PP operating conditions. In addition, physical properties of the solvent required for process design were determined, and hydrodynamics in the liquefaction bubble column reactors were examined. Taking the obtained hydrodynamics and thermal behavior into consideration, a design procedure of the liquefaction bubble column reactors was establsihed using a process simulator (CARD) validated by the product yields of PP. The simulation including distillation and solvent hydrotreatment showed that the content of heavy oil fraction (b.p. 350 - 538{degree} C) in the solvent was a determinant factor in the design of a large scale plant based on the NEDOL process.

GaN CVD Reactions: Hydrogen and Ammonia Decomposition and the Desorption of Gallium

International Nuclear Information System (INIS)

Bartram, Michael E.; Creighton, J. Randall

1999-01-01

Isotopic labeling experiments have revealed correlations between hydrogen reactions, Ga desorption, and ammonia decomposition in GaN CVD. Low energy electron diffraction (LEED) and temperature programmed desorption (TPD) were used to demonstrate that hydrogen atoms are available on the surface for reaction after exposing GaN(0001) to deuterium at elevated temperatures. Hydrogen reactions also lowered the temperature for Ga desorption significantly. Ammonia did not decompose on the surface before hydrogen exposure. However, after hydrogen reactions altered the surface, N 15 H 3 did undergo both reversible and irreversible decomposition. This also resulted in the desorption of N 2 of mixed isotopes below the onset of GaN sublimation, This suggests that the driving force of the high nitrogen-nitrogen bond strength (226 kcal/mol) can lead to the removal of nitrogen from the substrate when the surface is nitrogen rich. Overall, these findings indicate that hydrogen can influence G-aN CVD significantly, being a common factor in the reactivity of the surface, the desorption of Ga, and the decomposition of ammonia

Achievement report for fiscal 1981 on Sunshine Program. Basic research on solvent treatment technology for coal; 1981 nendo sekitan no yozai shori gijutsu no kiso kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1982-03-01

This research aims to prepare basic data on extraction liquefaction, which is one of the techniques of producing clean liquid fuels and chemical materials from coal, and thereby to contribute to the development of this process. The items taken up in this research are Item 1 on basic research using a small reactor, Item 2 on research on short-duration hydrogenation reaction in the intermediate temperature range, and Item 3 on basic research on the realization of a continuous operation. Item 1 is divided into Item (1) on primary hydrogenation extraction and Item (2) on secondary hydrogenation treatment. Under Item (1), hydrogenation characteristics are investigated of low rank coal with the Chinese brown coal heading the list and, under Item (2), the result of cleaner light oil production through secondary hydrogenation using different catalysts and the result of extraction from brown coal though secondary hydrogenation using a Co-Mo based catalyst are stated. Item 3 has been incorporated into Item 2 to stay there from this fiscal year on, and is divided into Item (1) on primary hydrogenation extraction and Item (2) on secondary hydrogenation treatment. Under Item (1), the result of a test operation of a small-size continuous coal hydrogenation extraction liquefaction unit using bituminous coal as specimen is reported and, under Item (2), the outline of a small-size fixed bed hydrogenation treatment unit newly installed this fiscal year is described. (NEDO)

Process analysis and mechanism of multi-stage hydropyrolysis of coal

Energy Technology Data Exchange (ETDEWEB)

Li, W.; Wang, N.; Li, B.Q. [Chinese Academy of Science, Taiyuan (China). Inst. of Coal Chemistry, State Key Laboratory of Coal Conversion

2002-07-01

The mechanism of multi-stage hydropyrolysis of coal was probed through detailed analysis of products of hydropyrolysis with different holding methods. The results showed that the holding method significantly affects the product distributions, thus making an apparent difference in hydrogen utilization efficiency. The holding temperature should be about 350-500{degree}C during which more free radicals are produced rapidly. Pore-riched structures are formed at the holding stage at 350{degree}C due to the evolution of large amount of volatiles, which is favorable to the subsequent hydrogenation reaction. The holding at a low temperature favors the reaction of hydrogen with oxygen-containing groups, leading to the formation of phenol and avoiding the formation of water at a high temperature. The cleavage of chemical bonds in the char is mainly dependent-on the pyrolysis temperature. The effect of holding stage is to change the distribution and components of products via stabilizing the free radicals and hydrogenating the heavier products.

RESEARCH ON CARBON PRODUCTS FROM COAL USING AN EXTRACTIVE PROCESS

Energy Technology Data Exchange (ETDEWEB)

Peter G. Stansberry; Alfred H. Stiller; John W. Zondlo; Chong Chen; Brian Bland; David Fenton

2002-03-31

This report presents the results of a one-year effort directed at the exploration of the use of coal as a feedstock for a variety of industrially-relevant carbon products. The work was basically divided into three focus areas. The first area dealt with the acquisition of laboratory equipment to aid in the analysis and characterization of both the raw coal and the coal-derived feedstocks. Improvements were also made on the coal-extraction pilot plant which will now allow larger quantities of feedstock to be produced. Mass and energy balances were also performed on the pilot plant in an attempt to evaluate the scale-up potential of the process. The second focus area dealt with exploring hydrogenation conditions specifically aimed at testing several less-expensive candidate hydrogen-donor solvents. Through a process of filtration and vacuum distillation, viable pitch products were produced and evaluated. Moreover, a recycle solvent was also isolated so that the overall solvent balance in the system could be maintained. The effect of variables such as gas pressure and gas atmosphere were evaluated. The pitch product was analyzed and showed low ash content, reasonable yield, good coking value and a coke with anisotropic optical texture. A unique plot of coke yield vs. pitch softening point was discovered to be independent of reaction conditions or hydrogen-donor solvent. The third area of research centered on the investigation of alternate extraction solvents and processing conditions for the solvent extraction step. A wide variety of solvents, co-solvents and enhancement additives were tested with varying degrees of success. For the extraction of raw coal, the efficacy of the alternate solvents when compared to the benchmark solvent, N-methyl pyrrolidone, was not good. However when the same coal was partially hydrogenated prior to solvent extraction, all solvents showed excellent results even for extractions performed at room temperature. Standard analyses of the

Impact of organic-mineral matter interactions on thermal reaction pathways for coal model compounds

Energy Technology Data Exchange (ETDEWEB)

Buchanan, A.C. III; Britt, P.F.; Struss, J.A. [Oak Ridge National Lab., TN (United States). Chemical and Analytical Sciences Div.

1995-07-01

Coal is a complex, heterogeneous solid that includes interdispersed mineral matter. However, knowledge of organic-mineral matter interactions is embryonic, and the impact of these interactions on coal pyrolysis and liquefaction is incomplete. Clay minerals, for example, are known to be effective catalysts for organic reactions. Furthermore, clays such as montmorillonite have been proposed to be key catalysts in the thermal alteration of lignin into vitrinite during the coalification process. Recent studies by Hatcher and coworkers on the evolution of coalified woods using microscopy and NMR have led them to propose selective, acid-catalyzed, solid state reaction chemistry to account for retained structural integrity in the wood. However, the chemical feasibility of such reactions in relevant solids is difficult to demonstrate. The authors have begun a model compound study to gain a better molecular level understanding of the effects in the solid state of organic-mineral matter interactions relevant to both coal formation and processing. To satisfy the need for model compounds that remain nonvolatile solids at temperatures ranging to 450 C, model compounds are employed that are chemically bound to the surface of a fumed silica (Si-O-C{sub aryl}linkage). The organic structures currently under investigation are phenethyl phenyl ether (C{sub 6}H{sub 5}CH{sub 2}CH{sub 2}OC{sub 6}H{sub 5}) derivatives, which serve as models for {beta}-alkyl aryl ether units that are present in lignin and lignitic coals. The solid-state chemistry of these materials at 200--450 C in the presence of interdispersed acid catalysts such as small particle size silica-aluminas and montmorillonite clay will be reported. Initial focus will be on defining the potential impact of these interactions on coal pyrolysis and liquefaction.

High Performance Electrocatalytic Reaction of Hydrogen and Oxygen on Ruthenium Nanoclusters

Energy Technology Data Exchange (ETDEWEB)

Ye, Ruquan; Liu, Yuanyue; Peng, Zhiwei; Wang, Tuo; Jalilov, Almaz S.; Yakobson, Boris I.; Wei, Su-Huai; Tour, James M.

2017-01-18

The development of catalytic materials for the hydrogen oxidation, hydrogen evolution, oxygen reduction or oxygen evolution reactions with high reaction rates and low overpotentials are key goals for the development of renewable energy. We report here Ru(0) nanoclusters supported on nitrogen-doped graphene as high-performance multifunctional catalysts for the hydrogen evolution reaction (HER) and oxygen reduction reaction (ORR), showing activities similar to that of commercial Pt/C in alkaline solution. For HER performance in alkaline media, sample Ru/NG-750 reaches 10 mA cm-2 at an overpotential of 8 mV with a Tafel slope of 30 mV dec-1. The high HER performance in alkaline solution is advantageous because most catalysts for ORR and oxygen evolution reaction (OER) also prefer alkaline solution environment whereas degrade in acidic electrolytes. For ORR performance, Ru/NG effectively catalyzes the conversion of O2 into OH- via a 4e process at a current density comparable to that of Pt/C. The unusual catalytic activities of Ru(0) nanoclusters reported here are important discoveries for the advancement of renewable energy conversion reactions.

Hydrogen-Oxygen Reaction Assessment in the HANARO Cold Neutron Source

International Nuclear Information System (INIS)

Choi, Jung Woon; Kim, Hark Rho; Lee, Kye Hong; Han, Young Soo; Kim, Young Ki; Kim, Seok Hoon; Jeong, Jong Tae

2006-04-01

Liquid hydrogen, filled in the moderator cell of the in-pool assembly (IPA), is selected as a moderator to moderate thermal neutrons into cold neutrons for the HANARO Cold Neutron Source. Since the IPA will be installed in the vertical CN hole of the reflector tank at HANARO, the vacuum chamber (VC), the pressure boundary against the reactor, should withstand the detonation pressure so as to avoid any physical damage on the reactor under the hydrogen-oxygen chemical reaction. Accordingly, not only will the vacuum chamber be designed to keep its integrity against the hydrogen accident, but also the hydrogen and vacuum system will be designed with the leak-tight concept and also designed to be surrounded by the inert gas blanket system to prevent any air intrusion into the system. Also, in order to confirm the design concept of the CNS as well as VC integrity against the hydrogen accident, the hydrogen-oxygen chemical reaction is evaluated in this report by several methodologies: AICC methodology, Equivalent TNT detonation methodology, Explosion test result, and Calculation of VC strain under the maximum reflected explosion load

Hydrogen-Oxygen Reaction Assessment in the HANARO Cold Neutron Source

Energy Technology Data Exchange (ETDEWEB)

Choi, Jung Woon; Kim, Hark Rho; Lee, Kye Hong; Han, Young Soo; Kim, Young Ki; Kim, Seok Hoon; Jeong, Jong Tae

2006-04-15

Liquid hydrogen, filled in the moderator cell of the in-pool assembly (IPA), is selected as a moderator to moderate thermal neutrons into cold neutrons for the HANARO Cold Neutron Source. Since the IPA will be installed in the vertical CN hole of the reflector tank at HANARO, the vacuum chamber (VC), the pressure boundary against the reactor, should withstand the detonation pressure so as to avoid any physical damage on the reactor under the hydrogen-oxygen chemical reaction. Accordingly, not only will the vacuum chamber be designed to keep its integrity against the hydrogen accident, but also the hydrogen and vacuum system will be designed with the leak-tight concept and also designed to be surrounded by the inert gas blanket system to prevent any air intrusion into the system. Also, in order to confirm the design concept of the CNS as well as VC integrity against the hydrogen accident, the hydrogen-oxygen chemical reaction is evaluated in this report by several methodologies: AICC methodology, Equivalent TNT detonation methodology, Explosion test result, and Calculation of VC strain under the maximum reflected explosion load.

A Recyclable Nanoparticle-Supported Rhodium Catalyst for Hydrogenation Reactions

Directory of Open Access Journals (Sweden)

Maria Michela Dell’Anna

2010-05-01

Full Text Available Catalytic hydrogenation under mild conditions of olefins, unsaturated aldeydes and ketones, nitriles and nitroarenes was investigated, using a supported rhodium complex obtained by copolymerization of Rh(cod(aaema [cod: 1,5-cyclooctadiene, aaema–: deprotonated form of 2-(acetoacetoxyethyl methacrylate] with acrylamides. In particular, the hydrogenation reaction of halonitroarenes was carried out under 20 bar hydrogen pressure with ethanol as solvent at room temperature, in order to minimize hydro-dehalogenation. The yields in haloanilines ranged from 85% (bromoaniline to 98% (chloroaniline.

Development of sustainable coal to liquid processes: Minimising process CO2 emissions

Directory of Open Access Journals (Sweden)

S. Kauchali

2017-12-01

Full Text Available Traditional coal-to-liquid (CTL plants are synonymous with the production of carbon dioxide. Coal may be gasified in the presence of steam and oxygen to produce gas comprising carbon dioxide (CO2, carbon monoxide (CO, methane (CH4, hydrogen (H2 and steam (H2O. The gases can be reacted to a myriad of chemicals and fuels via the Fischer-Tropsch (FT reaction. However, excess carbon dioxide is generated via the Water-Gas-Shift reaction during preparation of CO:H2 ratios for FT. Here, a process development is represented on a CHO phase diagram, where unique regions are identified for autothermal operations for coal conversion. Considerations are given to develop idealised processes for the production of liquid chemicals from coal which emit minimal process CO2, require minimal energy input and do not require steam. This is achieved by co-feeding coal with methane and identifying endothermic-exothermic process pairs for methane-coal dry reforming. Furthermore, it is shown that a preferred method to produce liquid fuels from coal is by first creating dimethyl ether (DME as an intermediate, followed by the dehydration of DME to liquid fuels (gasoline range. For this route, via DME, the CO2 emission was found to be four times less than idealised CTL processes. Keywords: Gasification, Reforming, Coal to liquid, Carbon dioxide, Autothermal, Fischer tropsch

STUDY OF SOLVENT AND CATALYST INTERACTIONS IN DIRECT COAL LIQUEFACTION; SEMIANNUAL

International Nuclear Information System (INIS)

Michael T. Klein

2000-01-01

There are several aspects of the Direct Coal Liquefaction process which are not fully understood and which if better understood might lead to improved yields and conversions. Among these questions are the roles of the catalyst and the solvent. While the solvent is known to act by transfer of hydrogen atoms to the free radicals formed by thermal breakdown of the coal in an uncatalyzed system, in the presence of a solid catalyst as is now currently practiced, the yields and conversions are higher than in an uncatalyzed system. The role of the catalyst in this case is not completely understood. DOE has funded many projects to produce ultrafine and more active catalysts in the expectation that better contact between catalyst and coal might result. This approach has met with limited success probably because mass transfer between two solids in a fluid medium i.e. the catalyst and the coal, is very poor. It is to develop an understanding of the role of the catalyst and solvent in Direct Liquefaction that this project was initiated. Specifically it was of interest to know whether direct contact between the coal and the catalyst was important. By separating the solid catalyst in a stainless steel basket permeable to the solvent but not the coal in the liquefaction reactor, it was shown that the catalyst still maintains a catalytic effect on the liquefaction process. There is apparently transfer of hydrogen atoms from the catalyst through the basket wall to the coal via the solvent. Strong hydrogen donor solvents appear to be more effective in this respect than weak hydrogen donors. It therefore appears that intimate contact between catalyst and coal is not a requirement, and that the role of the catalyst may be to restore the hydrogen donor strength to the solvent as the reaction proceeds. A range of solvents of varying hydrogen donor strength was investigated. Because of the extensive use of thermogravimetric analysis in this laboratory in was noted that the peak

Studies of the surface of titanium dioxide. IV. The hydrogen-deuterium equilibration reaction

International Nuclear Information System (INIS)

Iwaki, T.; Katsuta, K.; Miura, M.

1981-01-01

The interaction of hydrogen with the surface of titanium dioxide has been studied in connection with the hydrogen-reduction mechanism of titanium dioxide, by means of such measurements as weight decrease, magnetic susceptibility, hydrogen uptake, and electrical conductance. It was postulated in the previous study that the rate-determining step of the hydrogen-reduction reaction may be the formation of surface hydroxyl groups, followed by the rapid removal of water molecules from the surface. In this study, the interactions between hydrogen and the surface of titanium dioxide were investigated by measuring the hydrogen-deuterium equilibration reaction, H 2 + D 2 = 2HD, at temperatures above 200 0 C on both surfaces before and after hydrogen reduction to compare the differences in the reactivities

Numerical Simulation of Hydrogen Combustion: Global Reaction Model and Validation

Energy Technology Data Exchange (ETDEWEB)

Zhang, Yun [School of Energy and Power Engineering, Xi’an Jiaotong University, Xi’an (China); Department of Mechanical, Aerospace and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, NY (United States); Liu, Yinhe, E-mail: yinheliu@mail.xjtu.edu.cn [School of Energy and Power Engineering, Xi’an Jiaotong University, Xi’an (China)

2017-11-20

Due to the complexity of modeling the combustion process in nuclear power plants, the global mechanisms are preferred for numerical simulation. To quickly perform the highly resolved simulations with limited processing resources of large-scale hydrogen combustion, a method based on thermal theory was developed to obtain kinetic parameters of global reaction mechanism of hydrogen–air combustion in a wide range. The calculated kinetic parameters at lower hydrogen concentration (C{sub hydrogen} < 20%) were validated against the results obtained from experimental measurements in a container and combustion test facility. In addition, the numerical data by the global mechanism (C{sub hydrogen} > 20%) were compared with the results by detailed mechanism. Good agreement between the model prediction and the experimental data was achieved, and the comparison between simulation results by the detailed mechanism and the global reaction mechanism show that the present calculated global mechanism has excellent predictable capabilities for a wide range of hydrogen–air mixtures.

Numerical Simulation of Hydrogen Combustion: Global Reaction Model and Validation

International Nuclear Information System (INIS)

Zhang, Yun; Liu, Yinhe

2017-01-01

Due to the complexity of modeling the combustion process in nuclear power plants, the global mechanisms are preferred for numerical simulation. To quickly perform the highly resolved simulations with limited processing resources of large-scale hydrogen combustion, a method based on thermal theory was developed to obtain kinetic parameters of global reaction mechanism of hydrogen–air combustion in a wide range. The calculated kinetic parameters at lower hydrogen concentration (C hydrogen < 20%) were validated against the results obtained from experimental measurements in a container and combustion test facility. In addition, the numerical data by the global mechanism (C hydrogen > 20%) were compared with the results by detailed mechanism. Good agreement between the model prediction and the experimental data was achieved, and the comparison between simulation results by the detailed mechanism and the global reaction mechanism show that the present calculated global mechanism has excellent predictable capabilities for a wide range of hydrogen–air mixtures.

POTENTIAL OF LIVESTOCK MANURE FOR COAL ACTIVATION

Directory of Open Access Journals (Sweden)

EllIN HARlIA HARlIA

2017-06-01

Full Text Available The natural methane formed by bacteria in anaerobic conditions is known as biogenic gas. Gas trapped in coal, formed through thermogenesis as well as biogenesisis known as coal-bed methane (CBM. The availability of organic material as decomposition of this material into methane is continuously required for the production of methane in the coal aquifer. The aim of this research was to investigate whether or not cattle feces bacteria were able to grow and produce methane in coal. Parameters measured were Volatile Fatty Acids (VFA and the production of biogas, such as nitrogen, hydrogen, carbon dioxide, and methane. Explorative method was used and data obtained was analyzed by descriptive approach. The results showed that the bacteria found in the feces survived in the coal and produce biogas. On day 2 when the process was at the acidogenesis phase, it produced VFA with the largest component of acetic acid. Acetic acid would undergo decarboxylation and reduction of CO2 followed by reactions of H2and CO2 to produce methane (CH4 and carbon dioxide (CO2 as the final products. ,

Mechanism of the electrochemical hydrogen reaction on smooth tungsten carbide and tungsten electrodes

International Nuclear Information System (INIS)

Wiesener, K.; Winkler, E.; Schneider, W.

1985-01-01

The course of the electrochemical hydrogen reaction on smooth tungsten-carbide electrodes in hydrogen saturated 2.25 M H 2 SO 4 follows a electrochemical sorption-desorption mechanism in the potential range of -0.4 to +0.1 V. At potentials greater than +0.1 V the hydrogen oxidation is controlled by a preliminary chemical sorption step. Concluding from the similar behaviour of tungsten-carbide and tungsten electrodes after cathodic pretreatment, different tungsten oxides should be involved in the course of the hydrogen reaction on tungsten carbide electrodes. (author)

Overview of Light Hydrogen-Based Low Energy Nuclear Reactions

Science.gov (United States)

Miley, George H.; Shrestha, Prajakti J.

This paper reviews light water and hydrogen-based low-energy nuclear reactions (LENRs) including the different methodologies used to study these reactions and the results obtained. Reports of excess heat production, transmutation reactions, and nuclear radiation emission are cited. An aim of this review is to present a summary of the present status of light water LENR research and provide some insight into where this research is heading.

Kinetics of gaseous uranium hexafluoride reaction with hydrogen chloride

International Nuclear Information System (INIS)

Ezubchenko, A.N.; Ilyukhin, A.I.; Merzlyakov, A.V.

1993-01-01

Kinetics of decrease of concentration of gaseous uranium hexafluoride in reaction with hydrogen chloride at temperatures close to room ones, was investigated by the method of IR spectroscopy. It was established that the process represented the first order reaction by both UF 6 and HCl. Activation energy of the reaction was determined: 7.6 ± 0.7 kcal/mol. Specific feature of reaction kinetics was noted: inversely proportional dependence of effective constant on UF 6 initial pressure. 5 refs., 3 figs

Analysis of recovered solvents from coal liquefaction in a flowing-solvent reactor by SEC and UV-fluorescence

Energy Technology Data Exchange (ETDEWEB)

Li, W.Y.; Feng, J.; Xie, K.C.; Kandiyoti, R. [Taiyuan University of Technology, Taiyuan (China)

2005-08-01

Point of Ayr coal has been extracted using three solvents: tetralin, quinoline and 1-methyl-2-pyrrolidinone (NMP); at two temperatures: 350 {sup o}C and 450{sup o}C, corresponding approximately to before and after the onset of massive covalent bond scission by pyrolysis. These solvents differ in solvent power and the ability to donate hydrogen atoms to stabilize free radicals produced by pyrolysis of the coal. Analysis of the fresh solvents and recovered solvents from coal liquefaction was achieved by size exclusion chromatography and UV-fluorescence spectroscopy. In the blank run, it was testified that the filling material sand and the steel powder did not react with solvent with increasing reaction temperature. The role of hydrogen donation in the tetralin extracts was to increase the proportion of large molecules with increasing extraction temperature. Quinoline and NMP both have the powerful extracting capability to get more materials out of coal with increasing extraction temperature.

Analysis of recovered solvents from coal liquefaction in a flowing-solvent reactor by SEC and UV-fluorescence

Energy Technology Data Exchange (ETDEWEB)

Wen-Ying Li; Jie Feng; Ke-Chang Xie; R. Kandiyoti [Taiyuan University of Technology, Taiyuan (China). Key Laboratory of Coal Science and Technology for Ministry of Education and Shanxi Province

2005-08-01

Point of Ayr coal has been extracted using three solvents: tetralin, quinoline and 1-methyl-2-pyrrolidinone (NMP); at two temperatures: 350{sup o}C and 450{sup o}C, corresponding approximately to before and after the onset of massive covalent bond scission by pyrolysis. These solvents differ in solvent power and the ability to donate hydrogen atoms to stabilize free radicals produced by pyrolysis of the coal. Analysis of the fresh solvents and recovered solvents from coal liquefaction was achieved by size exclusion chromatography and UV-fluorescence spectroscopy. In the blank run, it was testified that the filling material sand and the steel powder did not react with solvent with increasing reaction temperature. The role of hydrogen donation in the tetralin extracts was to increase the proportion of large molecules with increasing extraction temperature. Quinoline and NMP both have the powerful extracting capability to get more materials out of coal with increasing extraction temperature.

Mechanistic study of the isotopic-exchange reaction between gaseous hydrogen and palladium hydride powder

International Nuclear Information System (INIS)

Outka, D.A.; Foltz, G.W.

1991-01-01

A detailed mechanism for the isotopic-exchange reaction between gaseous hydrogen and solid palladium hydride is developed which extends previous model for this reaction by specifically including surface reactions. The modeling indicates that there are two surface-related processes that contribute to the overall rate of exchange: the desorption of hydrogen from the surface and the exchange between surface hydrogen and bulk hydrogen. This conclusion is based upon measurements examining the effect of small concentrations of carbon monoxide were helpful in elucidating the mechanism. Carbon monoxide reversibly inhibits certain steps in the exchange; this slows the overall rate of exchange and changes the distribution of products from the reactor

Novel bimetallic dispersed catalysts for temperature-programmed coal liquefaction. Technical progress report, October--December 1993

Energy Technology Data Exchange (ETDEWEB)

Schmidt, E.; Kirby, S.; Song, Chunshan; Schobert, H.H.

1994-04-01

Development of new catalysts is a promising approach to more, efficient coal liquefaction. It has been recognized that dispersed catalysts can be superior to supported catalysts for primary liquefaction of coals, because the control of initial coal dissolution or depolymerization requires infinite contact between the catalyst and coal. The primary objective of this research is to explore the potential of bimetallic dispersed catalysts from heterometallic molecular precursors in their use in model compound liquefaction reactions. This quarterly report describes the use of three precursors in model compound reactions. The first catalyst is a heterometallic complex consisting of two transition metals, Mo and Ni, and sulfur in a single molecule. The second is a thiocubane type complex consisting of cobalt, molybdenum and sulfur. The third is a thiocubane type cluster consisting of iron and sulfur and the fourth, the pure inorganic salt ammonium tetrathiomolybdate (ATM). It was found that the structure and the ligands in the model complexes affect the activity of the resulting catalyst significantly. The optimum reaction at a pressure of 6.9 MPa hydrogen gas varied for different catalysts. The bimetallic catalysts generated in situ from the organometallic precursor are more active than monometallic catalysts like ATTM and the thiocubane type cluster Fe{sub 4}. Main products are hydrogenated phenanthrene derivatives, like DBP, THP, sym-OHP, cis- and trans-unsym-OHP with minor isomerization products such as sym-OHA. Our results indicate that other transition metal and ligand combinations in the organometallic precursors and the use of another model compound could result in substantially higher conversion activity.

Kinetics assisted design of catalysts for coal liquefaction. Final report

Energy Technology Data Exchange (ETDEWEB)

Klein, M.T.; Foley, H.C.; Calkins, W.H.; Scouten, C.

1998-02-01

The thermal and catalytic reactions of 4-(1-naphthylmethyl)bibenzyl (NBBM), a resid and coal model compound, were examined. Catalytic reaction of NBBM was carried out at 400 C under hydrogen with a series of transition metal-based catalytic materials including Fe(CO){sub 4}PPh{sub 3}, Fe(CO){sub 3}(PPh{sub 3}){sub 2}, Fe(CO){sub 2}(PPh{sub 3}){sub 2}CS{sub 2}, Fe(CO){sub 5}, Mo(CO){sub 6}, Mn{sub 2}(CO){sub 10}, Fe{sub 2}O{sub 3} and MoS{sub 2}. Experimental findings and derived mechanistic insights were organized into molecular-level reaction models for NBBM pyrolysis and catalysis. Hydropyrolysis and catalysis reaction families occurring during NBBM hydropyrolysis at 420 C were summarized in the form of reaction matrices which, upon exhaustive application to the components of the reacting system, yielded the mechanistic reaction model. Each reaction family also had an associated linear free energy relationship (LFER) which provided an estimate of the rate constant k{sub i} given a structural property of species i or its reaction. Including the catalytic reaction matrices with those for the pyrolysis model provided a comprehensive NBBM catalytic reaction model and allowed regression of fundamental LFER parameters for the catalytic reaction families. The model also allowed specification of the property of an optimal catalyst. Iron, molybdenum and palladium were predicted to be most effective for model compound consumption. Due to the low costs associated with iron and its disposal, it is a good choice for coal liquefaction catalysis and the challenge remains to synthesize small particles able to access the full surface area of the coal macromolecule.

Decarbonylation and hydrogenation reactions of allyl alcohol and acrolein on Pd(110)

Science.gov (United States)

Shekhar, Ratna; Barteau, Mark A.

1994-11-01

Allyl alcohol and acrolein reactions on the Pd(110) surface were investigated using temperature programmed desorption. For both unsaturated oxygenates, three coverage-dependent reaction pathways were observed. At low coverages, allyl alcohol decomposed completely to CO, hydrogen and carbonaceous species on the surface. For θ > 0.15 monolayer, ethylene (and small amounts of ethane) desorbed at ca. 295 K. Near saturation coverages, desorption of propanal was detected at ca. 235 K. The parent molecule, allyl alcohol, desorbed only after exposures sufficient to saturate these channels. Acrolein decomposition spectra were similar to those observed for allyl alcohol decomposition on the clean surface. Additional experiments with allyl alcohol on hydrogen- and deuterium-precoveredPd(110) surfaces demonstrated increased hydrogenation of the C 2-hydrocarbon products along with hydrogenation of allyl alcohol to 1-propanol. However, in contrast to previous results for allyl alcohol on the Pd(111) surface, there was no evidence for C-O scission reactions of any C 3 oxygenate on Pd(110).

WATER-GAS SHIFT WITH INTEGRATED HYDROGEN SEPARATION; A

International Nuclear Information System (INIS)

Maria Flytzani-Stephanopoulos; Jerry Meldon; Xiaomei Qi

2001-01-01

Optimization of the water-gas shift (WGS) reaction system for hydrogen production for fuel cells is of particular interest to the energy industry. To this end, it is desirable to couple the WGS reaction to hydrogen separation using a semi-permeable membrane, with both processes carried out at high temperature to improve reaction kinetics. Reduced equilibrium conversion of the WGS reaction at high temperatures is overcome by product H(sub 2) removal via the membrane. This project involves fundamental research and development of novel cerium oxide-based catalysts for the water-gas-shift reaction and the integration of these catalysts with Pd-alloy H(sub 2)-separation membranes supplying high purity hydrogen for fuel cell use. Conditions matching the requirements of coal gasifier-exit gas streams will be examined in the project. In the first year of the project, we prepared a series of nanostructured Cu- and Fe-containing ceria catalysts by a special gelation/precipitation technique followed by air calcination at 650 C. Each sample was characterized by ICP for elemental composition analysis, BET-N2 desorption for surface area measurement, and by temperature-programmed reduction in H(sub 2) to evaluate catalyst reducibility. Screening WGS tests with catalyst powders were conducted in a flow microreactor at temperatures in the range of 200-550 C. On the basis of both activity and stability of catalysts in simulated coal gas, and in CO(sub 2)-rich gases, a Cu-CeO(sub 2) catalyst formulation was selected for further study in this project. Details from the catalyst development and testing work are given in this report. Also in this report, we present H(sub 2) permeation data collected with unsupported flat membranes of pure Pd and Pd-alloys over a wide temperature window

Highly Dispersed Pseudo-Homogeneous and Heterogeneous Catalysts Synthesized via Inverse Micelle Solutions for the Liquefaction of Coal

Energy Technology Data Exchange (ETDEWEB)

Hampden-Smith, M.; Kawola, J.S.; Martino, A.; Sault, A.G.; Yamanaka, S.A.

1999-01-05

The mission of this project was to use inverse micelle solutions to synthesize nanometer sized metal particles and test the particles as catalysts in the liquefaction of coal and other related reactions. The initial focus of the project was the synthesis of iron based materials in pseudo-homogeneous form. The frost three chapters discuss the synthesis, characterization, and catalyst testing in coal liquefaction and model coal liquefaction reactions of iron based pseudo-homogeneous materials. Later, we became interested in highly dispersed catalysts for coprocessing of coal and plastic waste. Bifunctional catalysts . to hydrogenate the coal and depolymerize the plastic waste are ideal. We began studying, based on our previously devised synthesis strategies, the synthesis of heterogeneous catalysts with a bifunctional nature. In chapter 4, we discuss the fundamental principles in heterogeneous catalysis synthesis with inverse micelle solutions. In chapter 5, we extend the synthesis of chapter 4 to practical systems and use the materials in catalyst testing. Finally in chapter 6, we return to iron and coal liquefaction now studied with the heterogeneous catalysts.

Gas-Phase Reaction Pathways and Rate Coefficients for the Dichlorosilane-Hydrogen and Trichlorosilane-Hydrogen Systems

Science.gov (United States)

Dateo, Christopher E.; Walch, Stephen P.

2002-01-01

As part of NASA Ames Research Center's Integrated Process Team on Device/Process Modeling and Nanotechnology our goal is to create/contribute to a gas-phase chemical database for use in modeling microelectronics devices. In particular, we use ab initio methods to determine chemical reaction pathways and to evaluate reaction rate coefficients. Our initial studies concern reactions involved in the dichlorosilane-hydrogen (SiCl2H2--H2) and trichlorosilane-hydrogen (SiCl2H-H2) systems. Reactant, saddle point (transition state), and product geometries and their vibrational harmonic frequencies are determined using the complete-active-space self-consistent-field (CASSCF) electronic structure method with the correlation consistent polarized valence double-zeta basis set (cc-pVDZ). Reaction pathways are constructed by following the imaginary frequency mode of the saddle point to both the reactant and product. Accurate energetics are determined using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations (CCSD(T)) extrapolated to the complete basis set limit. Using the data from the electronic structure calculations, reaction rate coefficients are obtained using conventional and variational transition state and RRKM theories.

Numerical comparison of hydrogen-air reaction mechanisms for unsteady shockinduced combustion applications

Energy Technology Data Exchange (ETDEWEB)

Kumar, P. Pradeep; Kim, Kui Soon; Oh, Se Jong; Choi, Jeong Yeol [Pusan National University, Busan (Korea, Republic of)

2015-03-15

An unsteady shock-induced combustion (SIC) is characterized by the regularly oscillating combustion phenomenon behind the shock wave supported by the blunt projectile flying around the speed of Chapman-Jouguet detonation wave. The SIC is the coupling phenomenon between the hypersonic flow and the chemical kinetics, but the effects of chemical kinetics have been rarely reported. We compared hydrogen-air reaction mechanisms for the shock-induced combustion to demonstrate the importance of considering the reaction mechanisms for such complex flows. Seven hydrogen-air reaction mechanisms were considered, those available publically and used in other researches. As a first step in the comparison of the hydrogen combustion, ignition delay time of hydrogen-oxygen mixtures was compared at various initial conditions. Laminar premixed flame speed was also compared with available experimental data and at high pressure conditions. In addition, half-reaction length of ZND (Zeldovich-Neumann-Doering) detonation structure accounts for the length scale in SIC phenomena. Oscillation frequency of the SIC is compared by running the time-accurate 3rd-order Navier-Stokes CFD code fully coupled with the detailed chemistry by using four levels of grid resolutions.

Numerical comparison of hydrogen-air reaction mechanisms for unsteady shockinduced combustion applications

International Nuclear Information System (INIS)

Kumar, P. Pradeep; Kim, Kui Soon; Oh, Se Jong; Choi, Jeong Yeol

2015-01-01

An unsteady shock-induced combustion (SIC) is characterized by the regularly oscillating combustion phenomenon behind the shock wave supported by the blunt projectile flying around the speed of Chapman-Jouguet detonation wave. The SIC is the coupling phenomenon between the hypersonic flow and the chemical kinetics, but the effects of chemical kinetics have been rarely reported. We compared hydrogen-air reaction mechanisms for the shock-induced combustion to demonstrate the importance of considering the reaction mechanisms for such complex flows. Seven hydrogen-air reaction mechanisms were considered, those available publically and used in other researches. As a first step in the comparison of the hydrogen combustion, ignition delay time of hydrogen-oxygen mixtures was compared at various initial conditions. Laminar premixed flame speed was also compared with available experimental data and at high pressure conditions. In addition, half-reaction length of ZND (Zeldovich-Neumann-Doering) detonation structure accounts for the length scale in SIC phenomena. Oscillation frequency of the SIC is compared by running the time-accurate 3rd-order Navier-Stokes CFD code fully coupled with the detailed chemistry by using four levels of grid resolutions.

FY 1992 report on the Coal Kind Committee; 1992 nendo tanshu iinkai hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1993-03-01

The paper reported the FY 1992 activities of the Coal Kind Committee. The Coal Kind Committee in this fiscal year was held on September 28, 1992 (1st) and on March 4, 1993 (second), and report/discussion were made about the performance test in Chinese coal liquefaction, survey of coal kind selection, development of handling technology, etc. As to the performance test in Chinese coal liquefaction, there were the data very different in quality among the data, and it was pointed out that it was necessary to make a close re-examination of sites for sample collection and sampling methods. Relating to the survey of coal kind selection, the following were pointed out: The inertinite value in the maceral analysis was not necessarily in agreement with the reactivity; The inertinite was dependent largely on temperature for the reaction; It was necessary to make parameters based on the chemical structure. As to the development of the coal utilization hydrogen production technology, the paper reported the experimental survey of coal pretreatment, development of new deheterocyclicity and deashing technologies, experimental survey of coal handling, etc. (NEDO)

Characterisation of model compounds and a synthetic coal by TG/MS/FTIR to represent the pyrolysis behaviour of coal

Energy Technology Data Exchange (ETDEWEB)

Arenillas, A.; Pevida, C.; Rubiera, F.; Garcia, R.; Pis, J.J. [Instituto Nacional del Carbon, CSIC, Apartado 73, 33080 Oviedo (Spain)

2004-06-01

Coal pyrolysis is the initial, accompanying reaction of a number of coal conversion processes such as hydrogenation, combustion and gasification. However, because of the inherent complexity of coal composition, it is difficult to describe coal pyrolysis clearly. Single model compounds have been used before in order to provide additional insight into the complex processes that occur in the pyrolysis of coal. Yet the picture obtained is a simplified one and certain important aspects such as coal structure, interactions between different surface groups and cross-links are omitted. The approach used in this work involves the preparation of a synthetic coal, SC, with a known structure by curing a mixture of single, well-defined model compounds. By means of chemical characterisation, the SC was shown to contain the macroscopic features of a high volatile coal (proximate and ultimate analyses). FTIR characterisation revealed the presence of functional groups similar to those of coal in the structure of the SC. Temperature-programmed pyrolysis tests were performed in a thermobalance linked to a mass spectrometer and a Fourier transform infrared analyser (TG/MS/FTIR). The thermal behaviour of the synthetic coal (i.e., rate of mass loss and the evolution profiles of gaseous compounds during pyrolysis tests) is very similar to that of the high volatile bituminous coal which was used as a reference material. The great advantage of using SC lies in the fact that its composition and structure can be accurately determined and employed in subsequent applications in basic and mechanistic studies.

Heterogeneous Catalysis: Deuterium Exchange Reactions of Hydrogen and Methane

Science.gov (United States)

Mirich, Anne; Miller, Trisha Hoette; Klotz, Elsbeth; Mattson, Bruce

2015-01-01

Two gas phase deuterium/hydrogen exchange reactions are described utilizing a simple inexpensive glass catalyst tube containing 0.5% Pd on alumina through which gas mixtures can be passed and products collected for analysis. The first of these exchange reactions involves H[subscript 2] + D[subscript 2], which proceeds at temperatures as low as 77…

The impact of carbon sequestration on the production cost of electricity and hydrogen from coal and natural-gas technologies in Europe in the medium term

International Nuclear Information System (INIS)

Tzimas, Evangelos; Peteves, Stathis D.

2005-01-01

Carbon sequestration is a distinct technological option with a potential for controlling carbon emissions; it complements other measures, such as improvements in energy efficiency and utilization of renewable energy sources. The deployment of carbon sequestration technologies in electricity generation and hydrogen production will increase the production costs of these energy carriers. Our economic assessment has shown that the introduction of carbon sequestration technologies in Europe in 2020, will result in an increase in the production cost of electricity by coal and natural gas technologies of 30-55% depending on the electricity-generation technology used; gas turbines will remain the most competitive option for generating electricity; and integrated gasification combined cycle technology will become competitive. When carbon sequestration is coupled with natural-gas steam reforming or coal gasification for hydrogen production, the production cost of hydrogen will increase by 14-16%. Furthermore, natural-gas steam reforming with carbon sequestration is far more economically competitive than coal gasification

1H NMR studies of substrate hydrogen exchange reactions catalyzed by L-methionine gamma-lyase

International Nuclear Information System (INIS)

Esaki, N.; Nakayama, T.; Sawada, S.; Tanaka, H.; Soda, K.

1985-01-01

Hydrogen exchange reactions of various L-amino acids catalyzed by L-methionine gamma-lyase (EC 4.4.1.11) have been studied. The enzyme catalyzes the rapid exchange of the alpha- and beta-hydrogens of L-methionine and S-methyl-L-cysteine with deuterium from the solvent. The rate of alpha-hydrogen exchange was about 40 times faster than that of the enzymatic elimination reaction of the sulfur-containing amino acids. The enzyme also catalyzes the exchange reaction of alpha- and beta-hydrogens of the straight-chain L-amino acids which are not susceptible to elimination. The exchange rates of the alpha-hydrogen and the total beta-hydrogens of L-alanine and L-alpha-aminobutyrate with deuterium followed first-order kinetics. For L-norvaline, L-norleucine, S-methyl-L-cysteine, and L-methionine, the rate of alpha-hydrogen exchange followed first-order kinetics, but the rate of total beta-hydrogen exchange decreased due to a primary isotope effect at the alpha-position. L-Phenylalanine and L-tryptophan slowly underwent alpha-hydrogen exchange. The pro-R hydrogen of glycine was deuterated stereospecifically

F/Cl + C2H2 reactions: Are the addition and hydrogen abstraction direct processes?

International Nuclear Information System (INIS)

Li Jilai; Geng Caiyun; Huang Xuri; Zhan Jinhui; Sun Chiachung

2006-01-01

The reactions of atomic radical F and Cl with acetylene have been studied theoretically using ab initio quantum chemistry methods and transition state theory. The doublet potential energy surfaces were calculated at the CCSD(T)/aug-cc-pVDZ//CCSD/6-31G(d,p), CCSD(T)/aug-cc-pVDZ//UMP2/6-311++G(d,p) and compound method Gaussian-3 levels. Two reaction mechanisms including the addition-elimination and the hydrogen abstraction reaction mechanisms are considered. In the addition-elimination reactions, the halogen atoms approach C 2 H 2 , perpendicular to the C≡C triple bond, forming the pre-reactive complex C1 at the reaction entrance. C1 transforms to intermediate isomer I1 via transition state TSC1/1 with a negative/small barrier for C 2 H 2 F/C 2 H 2 Cl system, which can proceed by further eliminating H atom endothermally. While the hydrogen abstraction reactions also involve C1 for the fluorine atom abstraction of hydrogen, yet the hydrogen abstraction by chlorine atom first forms a collinear hydrogen-bonded complex C2. The other reaction pathways on the doublet PES are less competitive due to thermodynamical or kinetic factors. According to our results, the presence of pre-reactive complexes indicates that the simple hydrogen abstraction and addition in the halogen atoms reaction with unsaturated hydrocarbon should be more complex. Furthermore, based on the analysis of the kinetics of all channels through which the addition and abstraction reactions proceed, we expect that the actual feasibility of the reaction channels may depend on the reaction conditions in the experiment. The present study may be helpful for probing the mechanisms of the title reactions and understanding the halogen chemistry

Hydrogen separation membranes annual report for FY 2010.

Energy Technology Data Exchange (ETDEWEB)

Balachandran, U.; Dorris, S. E; Emerson, J. E.; Lee, T. H.; Lu, Y.; Park, C. Y.; Picciolo, J. J. (Energy Systems)

2011-03-14

The objective of this work is to develop dense ceramic membranes for separating hydrogen from other gaseous components in a nongalvanic mode, i.e., without using an external power supply or electrical circuitry. The goal of this project is to develop dense hydrogen transport membranes (HTMs) that nongalvanically (i.e., without electrodes or external power supply) separate hydrogen from gas mixtures at commercially significant fluxes under industrially relevant operating conditions. These membranes will be used to separate hydrogen from gas mixtures such as the product streams from coal gasification, methane partial oxidation, and water-gas shift reactions. Potential ancillary uses of HTMs include dehydrogenation and olefin production, as well as hydrogen recovery in petroleum refineries and ammonia synthesis plants, the largest current users of deliberately produced hydrogen. This report describes the results from the development and testing of HTM materials during FY 2010.

Monitoring coal conversion processes by IR-spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Hobert, H.; Kempe, J.; Stephanowitz, H. (Friedrich-Schiller-Universitaet, Jena (German Democratic Republic))

1990-01-01

Explains application of infrared spectroscopy combined with multivariate data analysis by an on-line computer system for assessing coal quality and suitability of brown coal for conversion processes. Coal samples were pelletized under addition of KBr and analyzed using an IRF 180 Fourier transform spectrometer in the spectral range of 400 to 2,000 cm{sup -1}. Components of spectra are presented; the oil yield from coal hydrogenation is calculated by regression analysis. Covariance spectra of carbon, organic hydrogen and sulfur are shown. It is concluded that the field of application for the method includes industrial coal liquefaction, gasification as well as briquetting and coking. 8 refs.

Sum Frequency Generation Studies of Hydrogenation Reactions on Platinum Nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Krier, James M. [Univ. of California, Berkeley, CA (United States)

2013-08-31

Sum Frequency Generation (SFG) vibrational spectroscopy is used to characterize intermediate species of hydrogenation reactions on the surface of platinum nanoparticle catalysts. In contrast to other spectroscopy techniques which operate in ultra-high vacuum or probe surface species after reaction, SFG collects information under normal conditions as the reaction is taking place. Several systems have been studied previously using SFG on single crystals, notably alkene hydrogenation on Pt(111). In this thesis, many aspects of SFG experiments on colloidal nanoparticles are explored for the first time. To address spectral interference by the capping agent (PVP), three procedures are proposed: UV cleaning, H2 induced disordering and calcination (core-shell nanoparticles). UV cleaning and calcination physically destroy organic capping while disordering reduces SFG signal through a reversible structural change by PVP.

Exergoeconomic estimates for a novel zero-emission process generating hydrogen and electric power

International Nuclear Information System (INIS)

Tsatsaronis, George; Kapanke, Kerstin; Maria Blanco Marigorta, Ana

2008-01-01

This paper presents the exergoeconomic analysis of a novel process generating electric energy and hydrogen. Coal and high-temperature heat are used as input energy to the process. The process is a true 'zero-emission process' because (a) no NO X is formed during coal combustion with sulfuric acid, and (b) the combustion products CO 2 and SO 2 are removed separately as compressed liquids from the overall process. The process cycle is based on two chemical reactions. The first reaction takes place in an electrolytic cell and delivers the hydrogen product. In the second step, coal reacts with sulfuric acid in a high-pressure combustion reactor. The combustion gas is expanded in a gas turbine to produce electric power. The combustion products are compressed and separated so that almost pure CO 2 can be removed from the cycle. The overall process is characterized by very high energetic and exergetic efficiencies. However, the overall process is very capital intensive. The electrolytic cell dominates the costs associated with the overall process. Detailed results of the thermodynamic simulation, the economic and the exergoeconomic analyses of the process including estimates of the product costs are presented

FY 1980 Report on results of Sunshine Project. Development of coal liquefaction techniques (Development of 1 T/D test plant, and researches on the solvent-extraction type liquefaction process); 1980 nendo sekitan ekika gijutsu no kaihatsu, yozai chushutsu ekika plant no kaihatsu seika hokokusho. 1t/nichi jikken plant no kaihatsu, yozai chushutsu ekika process no kenkyu

Energy Technology Data Exchange (ETDEWEB)

NONE

1981-03-01

This program is aimed at establishing the techniques for solvent-extraction type coal liquefaction plant by constructing and operating a 1 T/D test plant to obtain the technical data for the efficient plant. The test plant is operated to confirm the effects of temperature and coal slurry concentration on liquefaction conversion by the solvent-extraction for a short time in the furnace for the extraction unit. The extraction type coal liquefaction tests can be conducted for a reaction time of around 1 hour by the test plant. The recycled solvent purification unit is installed, to regenerate the hydrogen donor solvent. For researches on the solvent-extraction type coal liquefaction process, the continuous extraction is conducted, to investigate the effects of extraction reaction rate at relatively low pressure. The optimum hydrogenation conditions are studied for the test plant. It is confirmed that a Mo-based catalyst is suitable for the hydrogenation. The batch type reaction system is operated to investigate the liquid yield of Wandoan coal, and recycled solvent balances and compositions. (NEDO)

Reactivity of North Bohemian coals in coprocessing of coal/oil mixtures

Energy Technology Data Exchange (ETDEWEB)

Sebor, G.; Cerny, J.; Maxa, D.; Blazek, J. [Inst. of Chemical Technology, Prague (Czechoslovakia); Sykorova, I. [Inst. of Rock Structure and Mechanics, Prague (Czechoslovakia)

1995-12-01

Autoclave experiments with North Bohemian coal were done in order to evaluate their reactivity in coprocessing with petroleum vacuum residue, Selected coals were comprehensively characterized by using a number of analytical methods. While the coals were of similar geological origin, some of their characteristics differed largely from one coal to another. Despite the differences in physical and chemical structure, the coals provided very similar yields of desired reaction products. The yields of a heavy non- distillable fraction and/or an insoluble solid residue were, under experimental conditions, largely affected by retrogressive reactions (coking). The insoluble solid fractions were examined microscopically under polarized light.

Report on the achievements in the Sunshine Project in research and development of coal energy in fiscal 1988. Studies on coal liquefying catalysts and a method for analyzing liquefied oil; 1981 nendo sekitan ekikayo shokubai oyobi ekikayu bunsekiho no kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1990-03-01

This paper describes the achievements in the Sunshine Project in fiscal 1988 in studies on coal liquefying catalysts and a method for analyzing liquefied oil. Acidic nature of the carrier was controlled, and deposition of carbonaceous substance on the catalyst was successfully suppressed while maintaining hydrogenation activity of the catalyst. It was possible to control hydrogenation activity of the liquefying catalyst by controlling the sulfurizing condition and the coalescence condition of Mo. Microscopic structural change in catalytically active metals due to oxygen compounds in the hydrogenation process of the liquefied oil was made clear, and so was the hydrogenation activity declining behavior associated therewith. A method was discovered that can evaluate easily and sensitively the individual functions of hydrogenation activity and hydrogenating decomposition activity of the catalyst. In the study on liquefying reaction characteristics, a fundamental study was performed to analyze the catalyst reaction characteristics in the secondary hydrogenation of liquefied oil. Studies on an analyzing method for the liquefied oil characteristics included those on NRM spectrum database, dynamic behavior of aromatic hydrocarbons in the liquefying solvent during the hydrogenating reaction, analysis of contact hydrogenating reaction using SEC, and stability of the solvent composition in the NEDOL liquefaction process. (NEDO)

Report on the Sunshine Project in fiscal 1990. Studies on liquefaction characteristics by coal types and on engineering properties; 1990 nendo tanshu ni yoru ekika tokusei to kogakuteki busseichi ni kansuru kenkyu hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1990-07-01

This paper describes the achievements at the Government Industrial Development Laboratory, Hokkaido in the Sunshine Project in fiscal 1990. Surveys were carried on different catalytic activities for co-liquefaction of various types of coals. The Ru system was found preferable in acquiring fatty family products of low boiling points. Reactions of co-liquefaction constituents do not progress independently, but have positive interaction. Adding Ru is effective in accelerating hydrogenation of condensed aromatic rings and hydrogenation of cleaving nucleus, but in view of the hydrogenating decomposition capability, the Mo-system may be better. In a liquefaction plant test, diesel oil was manufactured by reforming and improving the Yallourn coal light oil. However, the oxygen content was too high, aggravating the temperature distribution control in catalyst bed, and not having achieved the intended denitrification rate. Discussions were given on co-liquefaction of the depressurization residues of Cold Lake (CLVB[vacuum bottom])/Athabasca (ATVB) and Battle River coal. The CLCVB and ATVB were turned into lower molecules easily through hydrogenation treatment. The reaction characteristics reflected the characteristics of medium oil. Depolymerization of coal has progressed faster in ATVB. In the study on the engineering property values, discussions were given on behavior of solid particles in a bubble column, and gas hold-up of slurry. (NEDO)

Coal-to-liquid

Energy Technology Data Exchange (ETDEWEB)

Cox, A.W.

2006-03-15

With crude oil prices rocketing, many of the oil poor, but coal rich countries are looking at coal-to-liquid as an alternative fuel stock. The article outlines the two main types of coal liquefaction technology: direct coal liquefaction and indirect coal liquefaction. The latter may form part of a co-production (or 'poly-generation') project, being developed in conjunction with IGCC generation projects, plus the production of other chemical feedstocks and hydrogen. The main part of the article, based on a 'survey by Energy Intelligence and Marketing Research' reviews coal-to-liquids projects in progress in the following countries: Australia, China, India, New Zealand, the Philippines, Qatar and the US. 2 photos.

Co-pyrolysis of waste tire/coal mixtures for smokeless fuel, maltenes and hydrogen-rich gas production

Czech Academy of Sciences Publication Activity Database

Bičáková, Olga; Straka, Pavel

2016-01-01

Roč. 116, MAY 15 (2016), s. 203-213 ISSN 0196-8904 Grant - others:OPPK(XE) CZ.2.16/3.1.00/21538 Program:OPPK Institutional support: RVO:67985891 Keywords : waste tires * coal * co-pyrolysis * smokeless fuel * tar * hydrogen -rich gas Subject RIV: DM - Solid Waste and Recycling Impact factor: 5.589, year: 2016 http://www.sciencedirect.com/science/article/pii/S0196890416300991

Role of hydrogen bonds in the reaction mechanism of chalcone isomerase.

Science.gov (United States)

Jez, Joseph M; Bowman, Marianne E; Noel, Joseph P

2002-04-23

In flavonoid, isoflavonoid, and anthocyanin biosynthesis, chalcone isomerase (CHI) catalyzes the intramolecular cyclization of chalcones into (S)-flavanones with a second-order rate constant that approaches the diffusion-controlled limit. The three-dimensional structures of alfalfa CHI complexed with different flavanones indicate that two sets of hydrogen bonds may possess critical roles in catalysis. The first set of interactions includes two conserved amino acids (Thr48 and Tyr106) that mediate a hydrogen bond network with two active site water molecules. The second set of hydrogen bonds occurs between the flavanone 7-hydroxyl group and two active site residues (Asn113 and Thr190). Comparison of the steady-state kinetic parameters of wild-type and mutant CHIs demonstrates that efficient cyclization of various chalcones into their respective flavanones requires both sets of contacts. For example, the T48A, T48S, Y106F, N113A, and T190A mutants exhibit 1550-, 3-, 30-, 7-, and 6-fold reductions in k(cat) and 2-3-fold changes in K(m) with 4,2',4'-trihydroxychalcone as a substrate. Kinetic comparisons of the pH-dependence of the reactions catalyzed by wild-type and mutant enzymes indicate that the active site hydrogen bonds contributed by these four residues do not significantly alter the pK(a) of the intramolecular cyclization reaction. Determinations of solvent kinetic isotope and solvent viscosity effects for wild-type and mutant enzymes reveal a change from a diffusion-controlled reaction to one limited by chemistry in the T48A and Y106F mutants. The X-ray crystal structures of the T48A and Y106F mutants support the assertion that the observed kinetic effects result from the loss of key hydrogen bonds at the CHI active site. Our results are consistent with a reaction mechanism for CHI in which Thr48 polarizes the ketone of the substrate and Tyr106 stabilizes a key catalytic water molecule. Hydrogen bonds contributed by Asn113 and Thr190 provide additional

An economic study for the co-generation of liquid fuel and hydrogen from coal and municipal solid waste

International Nuclear Information System (INIS)

Warren, A.; El-Halwagi, M.

1996-01-01

The objective of this paper is to assess the technical and economic feasibility of a new process for co-liquefying coal and plastic wastes. This assessment is based on incorporating recent experimental data on plastic/coal liquefaction within a conceptual process framework. A preliminary design was developed for two process configurations. The primary difference between the configurations is the source of hydrogen (coal versus cellulosic waste). The assessment was based on co-liquefying 720 tons per day of plastic waste with an equivalent amount of coal on a weight basis. The plant products include hydrocarbon gases, naphtha, jet fuel and diesel fuel. Material and energy balances along with plant-wide simulation were conducted for the process. Furthermore, the data on plastic-waste availability, disposal and economics have been compiled. The results from the economic analysis identify profitability criteria for gross profit and thus return on investment based on variable conversion, yield and tipping fee for plastic waste processed. 11 refs., 6 figs

Alkaline hydrothermal de-ashing and desulfurization of low quality coal and its application to hydrogen-rich gas generation

International Nuclear Information System (INIS)

Mursito, Anggoro Tri; Hirajima, Tsuyoshi; Sasaki, Keiko

2011-01-01

This paper describes experimental research and a fundamental study of alkaline hydrothermal treatment of high-sulfur, high-ash coal from Banten, Java-Indonesia. Experiments were carried out on a laboratory-scale 0.5 L batch reactor. The alkaline hydrothermal treatment gave upgraded clean coal with low sulfur content (about 0.3 wt.%) and low ash content (about 2.1 wt.%). A zero carbon dioxide and pure hydrogen gas were produced at 330 o C by introducing an alkali (sodium hydroxide, NaOH) to the hydrothermal treatment of raw coal. X-ray diffraction (XRD) and X-ray fluorescence (XRF) techniques were used to test for the removal or reduction of major inorganic elements in the coal, and changes in carbon-functional groups and their properties were determined by Fourier transform infrared spectroscopy (FTIR) and Carbon-13 of nuclear magnetic resonance ( 13 C NMR) tests on the product of the hydrothermal upgrading and demineralization process.

Pilot Scale Water Gas Shift - Membrane Device for Hydrogen from Coal

Energy Technology Data Exchange (ETDEWEB)

Barton, Tom [Western Research Inst. (WRI), Laramie, WY (United States)

2013-09-01

The objectives of the project were to build pilot scale hydrogen separation systems for use in a gasification product stream. This device would demonstrate fabrication and manufacturing techniques for producing commercially ready facilities. The design was a 2 lb/day hydrogen device which included composite hydrogen separation membranes, a water gas shift monolith catalyst, and stainless steel structural components. Synkera Technologies was to prepare hydrogen separation membranes with metallic rims, and to adjust the alloy composition in their membranes to a palladium-gold composition which is sulfur resistant. Chart was to confirm their brazing technology for bonding the metallic rims of the composite membranes to their structural components and design and build the 2 lbs/day device incorporating membranes and catalysts. WRI prepared the catalysts and completed the testing of the membranes and devices on coal derived syngas. The reactor incorporated eighteen 2'' by 7'' composite palladium alloy membranes. These membranes were assembled with three stacks of three paired membranes. Initial vacuum testing and visual inspection indicated that some membranes were cracked, either in transportation or in testing. During replacement of the failed membranes, while pulling a vacuum on the back side of the membranes, folds were formed in the flexible composite membranes. In some instances these folds led to cracks, primarily at the interface between the alumina and the aluminum rim. The design of the 2 lb/day device was compromised by the lack of any membrane isolation. A leak in any membrane failed the entire device. A large number of tests were undertaken to bring the full 2 lb per day hydrogen capacity on line, but no single test lasted more than 48 hours. Subsequent tests to replace the mechanical seals with brazing have been promising, but the technology remains promising but not proven.

Reaction of dimethyl hydrogen phosphite with acecyclone

International Nuclear Information System (INIS)

Arbuzov, B.A.; Fuzhenkova, A.V.; Tyryshkin, N.I.

1987-01-01

In the presence of bases acecyclone reacts with dimethyl hydrogen phosphite with the formation of gamma-keto phosphonates with conjugated and unconjugated structures, and also an enol phosphate, a product containing a bond between oxygen of the cyclone and phosphorus. In the absence of bases, as well as the beta-keto phosphonate, gamma-keto phosphonates of cis and trans structure are formed; they are products of the 1,4 addition of dimethyl hydrogen phosphite to the conjugated fragment C=C-C=O of the cyclone. The compositions of the reaction mixture were determined by IR and NMR spectroscopy and TLC. Full-scale analysis of chemical shifts and spin-spin coupling constants was performed

Hydrogen abstraction reactions by amide electron adducts

International Nuclear Information System (INIS)

Sevilla, M.D.; Sevilla, C.L.; Swarts, S.

1982-01-01

Electron reactions with a number of peptide model compounds (amides and N-acetylamino acids) in aqueous glasses at low temperature have been investigated using ESR spectroscopy. The radicals produced by electron attachment to amides, RC(OD)NDR', are found to act as hydrogen abstracting agents. For example, the propionamide electron adduct is found to abstract from its parent propionamide. Electron adducts of other amides investigated show similar behavior except for acetamide electron adduct which does not abstract from its parent compound, but does abstract from other amides. The tendency toward abstraction for amide electron adducts are compared to electron adducts of several carboxylic acids, ketones, aldehydes and esters. The comparison suggests the hydrogen abstraction tendency of the various deuterated electron adducts (DEAs) to be in the following order: aldehyde DEA > acid DEA = approximately ester DEA > ketone DEA > amide DEA. In basic glasses the hydrogen abstraction ability of the amide electron adducts is maintained until the concentration of base is increased sufficiently to convert the DEA to its anionic form, RC(O - )ND 2 . In this form the hydrogen abstracting ability of the radical is greatly diminished. Similar results were found for the ester and carboxylic acid DEA's tested. (author)

Low-rank coal research

Energy Technology Data Exchange (ETDEWEB)

Weber, G. F.; Laudal, D. L.

1989-01-01

This work is a compilation of reports on ongoing research at the University of North Dakota. Topics include: Control Technology and Coal Preparation Research (SO{sub x}/NO{sub x} control, waste management), Advanced Research and Technology Development (turbine combustion phenomena, combustion inorganic transformation, coal/char reactivity, liquefaction reactivity of low-rank coals, gasification ash and slag characterization, fine particulate emissions), Combustion Research (fluidized bed combustion, beneficiation of low-rank coals, combustion characterization of low-rank coal fuels, diesel utilization of low-rank coals), Liquefaction Research (low-rank coal direct liquefaction), and Gasification Research (hydrogen production from low-rank coals, advanced wastewater treatment, mild gasification, color and residual COD removal from Synfuel wastewaters, Great Plains Gasification Plant, gasifier optimization).

SNG from coal: thermodynamic and kinetic constraints; use of nuclear energy

International Nuclear Information System (INIS)

Shapira, D.

1983-01-01

Part I contains an analysis of the thermodynamic constraints of converting coal to SNG. It is shown that the thermodynamic constraints that limit the thermal efficiency are not inherent, but are the result of design decisions, based on available technology, as well as on the kinetic properties of available catalysts. The latter, limits the yield of methane to that obtainable at global equilibrium over carbon in the presence of CO, H 2 , CO 2 and H 2 O. The equilibrium composition is shown to be independent of the thermodynamic properties of the char or coal fed. These limitations give the nonisothermal two-stage processes significant thermodynamic advantages. The analysis in part I results in suggesting directions for modifying present processes in order to obtain higher thermal efficiences. It also presents two-stage process schemes which may have significant advantages over present technology. As the methodology used for the thermodynamic analysis contains some novel elements, it should be of interest to the reaction engineer in general, and should be applicable to a wide range of catalytic and noncatalytic processes. Part II focuses on the use of nuclear energy in the production of synthetic fuel. Two processes for the production of hydrogen (which is used in coal-to-SNG processes) are analyzed and compared. The two processes are: 1) hydrogen from electrolysis of water using nuclear heat. 2) Hydrogen from steam reforming of methane using nuclear heat. The method used is differential economic analysis which focuses on evaluating the inherent advantages and disadvantages of the proposed technologies. Part II shows that the use of high temperature heat in production of hydrogen from coal is less attractive than the use of the same heat to generate electricity and split water into H 2 and O 2

NMR spectroscopy of coal pyrolysis products

Energy Technology Data Exchange (ETDEWEB)

Polonov, V.M.; Kalabin, G.A.; Kushnarev, D.F.; Shevchenko, G.G.

1985-12-01

The authors consider the scope for using H 1 and C 13 NMR spectroscopy to describe the products from coal pyrolysis and hydrogenization. The accuracy of the structural information provided by the best NMR methods is also considered. The stuctural parameters derived from H 1 and C 13 NMR spectra are presented. Results demonstrate the high accuracy and sensitivity of the structural information provided by H 1 AND C 13 NMR spectra for coal products. There are substantial structural differences between the soluble products from medium-temperature coking of Cheremkhov coal and high-speed pyrolysis of Kan-Acha coal, and also differences in behavior during hydrogenation. These differences are related to the structure of the organic matter in the initial coal and to differences in the pyrolysis mechanisms.

Report on 1981 result of Sunshine Project. Research on direct liquefaction reactor of coal; 1981 nendo sekitan no chokusetsu ekika hannoki no kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1981-07-01

This paper explains the results of research on direct liquefaction reaction of coal in fiscal 1981. The direct liquefaction is a reaction of three phases, gas-liquid-solid, under high temperature and high pressure. A tube type was employed in order to increase volume efficiency of the reactor, the continuous phase disperse number was decreased in order to bring it close to plug flow, and the paste Re number was increased to some extent in order to prevent sedimentation of coal particles. Hydrogen was supplied from the tube halfway for the purpose of supplementing the lowering of hydrogen partial pressure with the progress of reaction. A gas-liquid separator was installed so that increase in gas quantity was controlled in the rear stage of the reactor. As for catalysts, iron ore-sulfur system was examined which was promising as a disposable catalyst in place of the conventional iron system. Effect of catalytic addition was clearly recognizable in comparison with non-catalytic, with an exothermic peak observed comparable to the coal hydrogenation reaction of 350-420 degree C. Its catalytic effect was also presumable from the high pressure differential thermal analysis curve. The catalytic mechanism in the case where sulfur is added to hematite and limonite is similar to that of Fe{sub 2}O{sub 3} - sulfur catalyst, with the center of activity supposed to be Fe{sub 1-x}S. The catalytic effect is largely dependent on the particle size. (NEDO)

Reaction of O+, CO+, and CH+ ions with atomic hydrogen

International Nuclear Information System (INIS)

Federer, W.; Villinger, H.; Howorka, F.; Lindinger, W.; Tosis, P.; Bassi, D.; Ferguson, E.

1984-01-01

Rate coefficients for reactions of the ions O + , CO + , and CH + with atomic hydrogen have been measured for the first time at 300 K. This provides basic data for the ion chemistry of planetary atmospheres, cometary atmospheres, and interstellar molecular clouds. The O + +H measurement supports quantal calculations of this reaction. The CO + +H reaction provides an example of partial spin nonconservation in a charge-transfer reaction occurring in a deep potential well. Reactions of the same ions with H 2 that have been measured elsewhere are also reported

Rapid Hydrogen Shift Reactions in Acyl Peroxy Radicals

DEFF Research Database (Denmark)

Knap, Hasse Christian; Jørgensen, Solvejg

2017-01-01

-shift with X = 6, 7, 8, or 9) in the hydroperoxy acyl peroxy radicals, this H-shift is a reversible reaction and it scrambles between two peroxides, hydroperoxy acyl peroxy and peroxy peroxoic acid radicals. The forward reaction rate constants of the 1,X-OOH H-shift reactions are estimated to be above 103 s–1...... with transition state theory corrected with Eckart quantum tunnelling correction. The ratio between the forward and reverse reaction rate constant of the 1,X-OOH H-shift reactions is around ∼105. Therefore, the equilibrium is pushed toward the production of peroxy peroxoic acid radicals. These very fast 1,X-OOH H......We have used quantum mechanical chemical calculations (CCSD(T)-F12a/cc-pVDZ-F12//M06-2X/aug-cc-pVTZ) to investigate the hydrogen shift (H-shift) reactions in acyl peroxy and hydroperoxy acyl peroxy radicals. We have focused on the H-shift reactions from a hydroperoxy group (OOH) (1,X-OOH H...

Overview of light water/hydrogen-based low energy nuclear reactions

International Nuclear Information System (INIS)

Miley, George H.; Shrestha, Prajakti J.

2006-01-01

This paper reviews light water and hydrogen-based low-energy nuclear reactions (LENRs) including the different methodologies used to study these reactions and the results obtained. Reports of excess heat production, transmutation reactions, and nuclear radiation emission are cited. An aim of this review is to present a summary of the present status of light water LENR research and provide some insight into where this research is heading. (author)

Coal pyrolysis under synthesis gas, hydrogen and nitrogen

Energy Technology Data Exchange (ETDEWEB)

Ariunaa, A.; Li Bao-Qing; Li Wen; Purevsuren, B. (and others) [Chinese Academy of Sciences, Taiyuan (China)

2007-02-15

Chinese Xundian, Mongolian Shiveeovoo lignites and Khoot oil shale are pyrolyzed under synthesis gas (SG) at temperature range from 400 to 800{sup o}C for lignite and from 300 to 600{sup o}C for oil shale with heating rate of 10{sup o}C/min in a fixed bed reactor. The results were compared with those obtained by pyrolysis under hydrogen and nitrogen. The results showed that unlike pyrolysis at high pressure, there are only slight different in the yields of char and tar among pyrolyses under various gases at room pressure for lignite, while higher liquid yield with lower yields of char and gas was obtained in pyrolysis of oil shale under SG and H{sub 2} than under N{sub 2}. It is found that the pyrite S can be easily removed to partially convert to organic S under various gaseous atmosphere and the total sulfur removal for oil shale is much less than lignite, which might be related to its high ash content. The higher total sulfur removal and less organic S content in the presence of SG in comparison with those under N{sub 2} and even under H{sub 2} in pyrolysis of Xundian lignite might result from the action of CO in SG. However, CO does not show its function in pyrolysis of Khoot oil shale, which might also be related to the high ash content. The results reported show the possibility of using synthesis gas instead of pure hydrogen as the reactive gas for coal hydropyrolysis. 11 refs., 4 figs., 6 tabs.

Report on the research achievements in the Sunshine Project in fiscal 1992. Studies on improving the efficiency of coal gasification; 1992 nendo sekitan gas ka no kokoritsuka ni kansuru kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1993-03-01

This paper describes the achievements in the Sunshine Project in fiscal 1992 in studies on improving the efficiency of coal gasification. Three kinds of coals were gasified under the atmosphere of hydrogen, He or CO2 by using the TPR method. The sulfur removing rate varies depending on coals even under the same reaction atmosphere, and so does the degree of influence of the atmospheric gases depending on coals. Very little effect of the atmospheric gases was found on the sulfur removing rate in Taiheiyo and Wandoan coals. While Tatung coal presents the same removing rate under the atmosphere of He and CO2, it shows 1.8 times greater removing rate under the hydrogen atmosphere. Generation patterns for H{sub 2}S and COS also vary depending on coal types and atmospheric gases. Inorganic sulfur shows the same behavior in the reaction process regardless of coal type and atmosphere, but organic sulfur behaves differently. The sulfur removing rate is determined by how easily the organic sulfur can be removed, which attributes to the difference in kinds and structures of organic sulfur compounds in the coal, together with the gas generation patterns. In order to discuss gasification of char, investigations were performed on effects of coal types and heat treatment temperatures, with regard to the gasification characteristics that can be estimated from the industrial and element analyses. (NEDO)

SYSTEM ANALYSIS OF NUCLEAR-ASSISTED SYNGAS PRODUCTION FROM COAL

International Nuclear Information System (INIS)

E. A. Harvego; M. G. McKellar; J. E. O'Brien

2008-01-01

A system analysis has been performed to assess the efficiency and carbon utilization of a nuclear-assisted coal gasification process. The nuclear reactor is a high-temperature helium-cooled reactor that is used primarily to provide power for hydrogen production via high-temperature electrolysis. The supplemental hydrogen is mixed with the outlet stream from an oxygen-blown coal gasifier to produce a hydrogen-rich gas mixture, allowing most of the carbon dioxide to be converted into carbon monoxide, with enough excess hydrogen to produce a syngas product stream with a hydrogen/carbon monoxide molar ratio of about 2:1. Oxygen for the gasifier is also provided by the high-temperature electrolysis process. Results of the analysis predict 90.5% carbon utilization with a syngas production efficiency (defined as the ratio of the heating value of the produced syngas to the sum of the heating value of the coal plus the high-temperature reactor heat input) of 66.1% at a gasifier temperature of 1866 K for the high-moisture-content lignite coal considered. Usage of lower moisture coals such as bituminous can yield carbon utilization approaching 100% and 70% syngas production efficiency

System Analysis of Nuclear-Assisted Syngas Production from Coal

International Nuclear Information System (INIS)

Harvego, E.A.; McKellar, M.G.; O'Brien, J.E.

2009-01-01

A system analysis has been performed to assess the efficiency and carbon utilization of a nuclear-assisted coal gasification process. The nuclear reactor is a high-temperature helium-cooled reactor that is used primarily to provide power for hydrogen production via high temperature electrolysis. The supplemental hydrogen is mixed with the outlet stream from an oxygen-blown coal gasifier to produce a hydrogen-rich gas mixture, allowing most of the carbon dioxide to be converted into carbon monoxide, with enough excess hydrogen to produce a syngas product stream with a hydrogen/carbon monoxide molar ratio of about 2:1. Oxygen for the gasifier is also provided by the high-temperature electrolysis process. Results of the analysis predict 90.5% carbon utilization with a syngas production efficiency (defined as the ratio of the heating value of the produced syngas to the sum of the heating value of the coal plus the high-temperature reactor heat input) of 64.4% at a gasifier temperature of 1866 K for the high-moisture-content lignite coal considered. Usage of lower moisture coals such as bituminous can yield carbon utilization approaching 100% and 70% syngas production efficiency.

Modeling the reaction kinetics of a hydrogen generator onboard a fuel cell -- Electric hybrid motorcycle

Science.gov (United States)

Ganesh, Karthik

Owing to the perceived decline of the fossil fuel reserves in the world and environmental issues like pollution, conventional fuels may be replaced by cleaner alternative fuels. The potential of hydrogen as a fuel in vehicular applications is being explored. Hydrogen as an energy carrier potentially finds applications in internal combustion engines and fuel cells because it is considered a clean fuel and has high specific energy. However, at 6 to 8 per kilogram, not only is hydrogen produced from conventional methods like steam reforming expensive, but also there are storage and handling issues, safety concerns and lack of hydrogen refilling stations across the country. The purpose of this research is to suggest a cheap and viable system that generates hydrogen on demand through a chemical reaction between an aluminum-water slurry and an aqueous sodium hydroxide solution to power a 2 kW fuel cell on a fuel cell hybrid motorcycle. This reaction is essentially an aluminum-water reaction where sodium hydroxide acts as a reaction promoter or catalyst. The Horizon 2000 fuel cell used for this purpose has a maximum hydrogen intake rate of 28 lpm. The study focuses on studying the exothermic reaction between the reactants and proposes a rate law that best describes the rate of generation of hydrogen in connection to the surface area of aluminum available for the certain reaction and the concentration of the sodium hydroxide solution. Further, the proposed rate law is used in the simulation model of the chemical reactor onboard the hybrid motorcycle to determine the hydrogen flow rate to the fuel cell with time. Based on the simulated rate of production of hydrogen from the chemical system, its feasibility of use on different drive cycles is analyzed. The rate of production of hydrogen with a higher concentration of sodium hydroxide and smaller aluminum powder size was found to enable the installation of the chemical reactor on urban cycles with frequent stops and starts

Ultravitrinite coals from Chukotka

Energy Technology Data Exchange (ETDEWEB)

Lapo, A.V.; Letushova, I.A.

1979-03-01

Chemical and petrographic analysis was conducted on coals from the Anadyrya and Bukhti Ugol'noi deposits. Characteristics of the most prevalent type of vitrinite coals in both regions are presented here. Anadyrya coals belong to a transitional phase between brown coal and long flame. Ultravitrinite coals predominate. Gas coals from Bukti Ugol'noi have a higher carbon content than Anadyrya coals. They also have a higher hydrogen content and yield of initial resin. In several cases there was also a higher yield of volatile substances. Chukotka coals are characterized by a 10 percent higher initial resin yield than equally coalified Donetsk coals, other indicators were equal to those of Donetsk coals. Because of this, Chukotka coals are suitable for fuel in power plants and as raw materials in the chemical industry. (15 refs.) (In Russian)

The electrochemical Peltier heat of the standard hydrogen electrode reaction

International Nuclear Information System (INIS)

Fang Zheng; Wang Shaofen; Zhang Zhenghua; Qiu Guanzhou

2008-01-01

A method for measuring the electrochemical Peltier heat (EPH) of a single electrode reaction has been developed and an absolute scale is suggested to obtain EPH of the standard hydrogen electrode. The scale is based on φ 0 * = 0 and ΔS 0 * = 0 for any electrode reaction at zero Kelvin, in accord with the third law of thermodynamics. The relationships between entropy, enthalpy and free energy changes on this scale and on the conventional scale are derived. Calorimetric experiments were made on the Fe(CN) 6 3- /Fe(CN) 6 4- system at five different concentrations at 298.15 K, and EPH for the standard hydrogen electrode reaction is obtained. EPHs and the entropy change on the absolute scale for the studied redox are linearly related to concentration of electrolyte. The reversible electric work is almost concentration independent in the range of concentration studied

Diels-Alder reactions in water : Enforced hydrophobic interaction and hydrogen bonding

NARCIS (Netherlands)

Engberts, Jan B.F.N.

1995-01-01

Second-order rate constants have been measured for the Diels-Alder (DA) reactions of cyclopentadiene with dienophiles of varying hydrophobicity and hydrogen-bond acceptor capacity in water, in a series of organic solvents and in alcohol-water mixtures. The intramolecular DA reaction of

DIELS-ALDER REACTIONS IN WATER - ENFORCED HYDROPHOBIC INTERACTION AND HYDROGEN-BONDING

NARCIS (Netherlands)

Engberts, J.B.F.N.

Second-order rate constants have been measured for the Diels-Alder (DA) reactions of cyclopentadiene with dienophiles of varying hydrophobicity and hydrogen-bond acceptor capacity in water, in a series of organic solvents and in alcohol-water mixtures. The intramolecular DA reaction of

Reaction mechanism of coal liquefaction: hydrogenolysis of model compound using synthetic pyrite as catalysts. 7. Property change of synthetic pyrite catalyst with the time after production; Sekitan ekika hanno kiko (model kagobutsu no hanno). 7. Gosei ryukatetsu shokubai no keiji henka ni tsuite

Energy Technology Data Exchange (ETDEWEB)

Ito, H.; Meno, H.; Uemaki, O.; Shibata, T.; Tsuji, T. [Hokkaido University, Sapporo (Japan)

1996-10-28

Reactions of various model compounds were investigated using synthetic pyrites for coal liquefaction. In this study, successive changes of the catalysts were investigated from the reactions of model compounds by using three different synthetic pyrites with the lapse of time after production. Benzyl phenyl ether, dibenzyl, and n-octylbenzene were used as model compounds. Reactions were conducted in an autoclave, into which sample, catalyst, decalin as solvent, and initial hydrogen pressure 10 MPa were charged. The autoclave was held at 450 or 475{degree}C of reaction temperature for 1 hour. The catalyst with a shorter lapse of time after production acted to hydrogen transfer, and inhibited the formation of condensation products due to the stabilization of decomposed fragment. It also acted to isomerization of materials by cutting alkyl side chains. When adding sulfur to the catalyst with longer lapse of time after production under these reaction conditions, it inhibited the formation of condensation products for the reaction of benzyl phenyl ether. However, it did not provide the effect for the reaction of n-octylbenzene. 5 refs., 3 figs.

Intrinsic reaction kinetics of coal char combustion by direct measurement of ignition temperature

International Nuclear Information System (INIS)

Kim, Ryang-Gyoon; Jeon, Chung-Hwan

2014-01-01

A wire heating reactor that can use a synchronized experimental method was developed to obtain the intrinsic kinetics of large coal char particles ranging in size from 0.4 to 1 mm. This synchronization system consists of three parts: a thermocouple wire for both heating and direct measurement of the particle temperature, a photodetector sensor for determining ignition/burnout points by measuring the intensity of luminous emission from burning particles, and a high-speed camera–long-distance microscope for observing and recording the movement of luminous zone directly. Coal char ignition was found to begin at a spot on the particle's external surface and then moved across the entire particle. Moreover, the ignition point determined according to the minimum of dT/dt is a spot point and not a full growth point. The ignition temperature of the spot point rises as the particle diameter increases. A spot ignition model, which describes the ignition in terms of the internal conduction and external/internal oxygen diffusion, was then developed to evaluate the intrinsic kinetics and predict the ignition temperature of the coal char. Internal conduction was found to be important in large coal char particles because its effect becomes greater than that of oxygen diffusion as the particle diameter increases. In addition, the intrinsic kinetics of coal char obtained from the spot ignition model for two types of coal does not differ significantly from the results of previous investigators. -- Highlights: • A novel technique was used to measure the coal char particle temperature. • The ignition point determined from a dT/dt minimum is a spot ignition point. • A spot ignition model was suggested to analyze the intrinsic reaction kinetics of coal char. • Internal conduction has to be considered in order to evaluate the intrinsic kinetics for larger particle (above 1 mm)

Bimetallic Nanocatalysts in Mesoporous Silica for Hydrogen Production from Coal-Derived Fuels

Energy Technology Data Exchange (ETDEWEB)

Kuila, Debasish [North Carolina Agricultural & Technical State Univ., Greensboro, NC (United States); Ilias, Shamsuddin [North Carolina Agricultural & Technical State Univ., Greensboro, NC (United States)

2013-02-13

In steam reforming reactions (SRRs) of alkanes and alcohols to produce H₂, noble metals such as platinum (Pt) and palladium (Pd) are extensively used as catalyst. These metals are expensive; so, to reduce noble-metal loading, bi-metallic nanocatalysts containing non-noble metals in MCM-41 (Mobil Composition of Material No. 41, a mesoporous material) as a support material with high-surface area were synthesized using one-pot hydrothermal procedure with a surfactant such as cetyltrimethylammonium bromide (CTAB) as a template. Bi-metallic nanocatalysts of Pd-Ni and Pd-Co with varying metal loadings in MCM-41 were characterized by x-ray diffraction (XRD), N₂ adsorption, and Transmission electron microscopy (TEM) techniques. The BET surface area of MCM-41 (~1000 m²/g) containing metal nanoparticles decreases with the increase in metal loading. The FTIR studies confirm strong interaction between Si-O-M (M = Pd, Ni, Co) units and successful inclusion of metal into the mesoporous silica matrix. The catalyst activities were examined in steam reforming of methanol (SRM) reactions to produce hydrogen. Reference tests using catalysts containing individual metals (Pd, Ni and Co) were also performed to investigate the effect of the bimetallic system on the catalytic behavior in the SRM reactions. The bimetallic system remarkably improves the hydrogen selectivity, methanol conversion and stability of the catalyst. The results are consistent with a synergistic behavior for the Pd-Ni-bimetallic system. The performance, durability and thermal stability of the Pd-Ni/MCM-41 and Pd-Co/MCM-41 suggest that these materials may be promising catalysts for hydrogen production from biofuels. A part of this work for synthesis and characterization of Pd-Ni-MCM-41 and its activity for SRM reactions has been published (“Development of Mesoporous Silica Encapsulated Pd-Ni Nanocatalyst for Hydrogen Production” in “Production and Purification of Ultraclean

PRODUCTION OF FOAMS, FIBERS AND PITCHES USING A COAL EXTRACTION PROCESS

Energy Technology Data Exchange (ETDEWEB)

Chong Chen; Elliot B. Kennel; Liviu Magean; Pete G. Stansberry; Alfred H. Stiller; John W. Zondlo

2004-06-20

This Department of Energy National Energy Technology Laboratory sponsored project developed processes for converting coal feedstocks to carbon products, including coal-derived pitch, coke foams and fibers based on solvent extraction processes. A key technology is the use of hydrogenation accomplished at elevated temperatures and pressures to obtain a synthetic coal pitch. Hydrogenation, or partial direct liquefaction of coal, is used to modify the properties of raw coal such that a molten synthetic pitch can be obtained. The amount of hydrogen required to produce a synthetic pitch is about an order of magnitude less than the amount required to produce synthetic crude oil. Hence the conditions for synthetic pitch production consume very little hydrogen and can be accomplished at substantially lower pressure. In the molten state, hot filtration or centrifugation can be used to separate dissolved coal chemicals from mineral matter and insolubles (inertinite), resulting in the production of a purified hydrocarbon pitch. Alternatively, if hydrogenation is not used, aromatic hydrocarbon liquids appropriate for use as precursors to carbon products can obtained by dissolving coal in a solvent. As in the case for partial direct liquefaction pitches, undissolved coal is removed via hot filtration or centrifugation. Excess solvent is boiled off and recovered. The resultant solid material, referred to as Solvent Extracted Carbon Ore or SECO, has been used successfully to produce artificial graphite and carbon foam.

Distribution of Clay Minerals in Light Coal Fractions and the Thermal Reaction Products of These Clay Minerals during Combustion in a Drop Tube Furnace

Directory of Open Access Journals (Sweden)

Sida Tian

2016-06-01

Full Text Available To estimate the contribution of clay minerals in light coal fractions to ash deposition in furnaces, we investigated their distribution and thermal reaction products. The light fractions of two Chinese coals were prepared using a 1.5 g·cm−3 ZnCl2 solution as a density separation medium and were burned in a drop-tube furnace (DTF. The mineral matter in each of the light coal fractions was compared to that of the relevant raw coal. The DTF ash from light coal fractions was analysed using hydrochloric acid separation. The acid-soluble aluminium fractions of DTF ash samples were used to determine changes in the amorphous aluminosilicate products with increasing combustion temperature. The results show that the clay mineral contents in the mineral matter of both light coal fractions were higher than those in the respective raw coals. For the coal with a high ash melting point, clay minerals in the light coal fraction thermally transformed more dehydroxylation products compared with those in the raw coal, possibly contributing to solid-state reactions of ash particles. For the coal with a low ash melting point, clay minerals in the light coal fraction produced more easily-slagging material compared with those in the raw coal, playing an important role in the occurrence of slagging. Additionally, ferrous oxide often produces low-melting substances in coal ash. Due to the similarities of zinc oxide and ferrous oxide in silicate reactions, we also investigated the interactions of clay minerals in light coal fractions with zinc oxide introduced by a zinc chloride solution. The extraneous zinc oxide could react, to a small extent, with clay minerals in the coal during DTF combustion.

A study of industrial hydrogen and syngas supply systems

Science.gov (United States)

Amos, W. J.; Solomon, J.; Eliezer, K. F.

1979-01-01

The potential and incentives required for supplying hydrogen and syngas feedstocks to the U.S. chemical industry from coal gasification systems were evaluated. Future hydrogen and syngas demand for chemical manufacture was estimated by geographic area and projected economics for hydrogen and syngas manufacture was estimated with geographic area of manufacture and plant size as parameters. Natural gas, oil and coal feedstocks were considered. Problem areas presently affecting the commercial feasibility of coal gasification discussed include the impact of potential process improvements, factors involved in financing coal gasification plants, regulatory barriers affecting coal gasification, coal mining/transportation, air quality regulations, and competitive feedstock pricing barriers. The potential for making coal gasification the least costly H2 and syngas supply option. Options to stimulate coal gasification system development are discussed.

Hydropyrolysis of coal at very low pressure

Energy Technology Data Exchange (ETDEWEB)

Bi, J.; Kamo, T.; Kodera, Y.; Yamaguchi, H.; Sato, Y. [National Institute for Resources and Environment, Tsukuba-city (Japan). Energy Resources Department

1998-07-01

In the present study, Taiheiyo coal was heated under a pressure of 0.6 Torr and a temperature range of 20-800{degree}C in the presence and absence of hydrogen atoms. The yielded char, gas and liquid were measured and analyzed by TG-MS and GC-MS respectively. The result shows that the conversion of coal with hydrogen atoms is higher than that without, and more gas and liquid products are obtained in the presence of hydrogen atoms. 3 refs., 5 figs.

Fundamental studies on the reaction process of partial hydropyrolysis of coal

Energy Technology Data Exchange (ETDEWEB)

O. Yamada; H. Yasuda; M. Kaiho [National Institute of Advanced Industrial Science and Technology, Ibaraki (Japan). Energy Technology Research Institute

2005-07-01

In order to make up a simulator to support the development of coal partial hydropyrolysis process, material balance of the reaction was investigated precisely. Amount of H{sub 2} evolved by pyrolysis under inert gas atmosphere was found almost equal to that of (CO+2CO{sub 2}), therefore, most of H{sub 2} seemed to be generated through water gas reaction and shift reaction. CH{sub 4} seemed to be stable even at 1073K and 7.1MPa of H{sub 2}, its generation was simply accelerated in proportion to H{sub 2} pressure. Hydrocarbons, other than CH{sub 4}, were fundamentally unstable at 1073K and 0.93 -7.1MPa of H{sub 2}, however the rate of decomposition of them were so slow that amounts of them evolved were apparently proportion to reaction time and H{sub 2} pressure. BTX and naphthalene were increased apparently with H{sub 2} pressure when the reaction time was less than 5s. 4 refs., 20 figs.

Composition, peat-forming vegetation and kerogen paraffinicity of Cenozoic coals: Relationship to variations in the petroleum generation potential (Hydrogen Index)

Energy Technology Data Exchange (ETDEWEB)

Petersen, H.I.; Lindstroem, S.; Nytoft, H.P.; Rosenberg, P. [Geological Survey of Denmark and Greenland (GEUS), Oester Voldgade 10, DK-1350 Copenhagen (Denmark)

2009-04-01

Coals with similar thermal maturity and from the same deposit normally show a considerable range in petroleum generation potential as measured by the Hydrogen Index (HI). This variation may partly be related to variations in plant input to the precursor mires and organic matter preservation. It is widely accepted that some Cenozoic coals and coaly sediments have the potential to generate oil, which is related to the coal's paraffinicity. Coal paraffinicity is not readily reflected in the bulk HI. In this paper, the relationships between measured HI and coal composition, coal kerogen paraffinicity and floral input have been investigated in detail for three sets of coals from Colombia/Venezuela, Indonesia, and Vietnam. The samples in each coal set are largely of iso-rank. The petroleum generation potential was determined by Rock-Eval pyrolysis. Reflected light microscopy was used to analyse the organic matter (maceral) composition and the thermal maturity was determined by vitrinite reflectance (VR) measurements. The botanical affinity of pollen and spores was analysed by palynology. Coal kerogen paraffinicity was determined by ruthenium tetroxide-catalysed oxidation (RTCO) followed by chain length analysis and quantification (mg/g TOC) of the liberated aliphatic chains. The coals are dominated by huminite, in particular detrohuminite. Only the Vietnamese coals are rich in microscopically visible liptinite. The pollen and spores suggest that the coals were derived principally from complex angiosperm mire vegetations, with subordinate proportions of ferns that generally grew in a subtropical to tropical climate. Measured HI values vary considerably, but for the majority of the coals the values lie between approximately 200 mg HC/g TOC and 300 mg HC/g TOC. Aliphatics yielding monocarboxylic acids dominate in the coal kerogen, whereas aliphatics yielding dicarboxylic acids are secondary. However, the dicarboxylic acids show that cross-linking long-chain aliphatics

Report on the coal group in the Sunshine Project in fiscal 1988. Studies on a coal treatment technology in the initial process in liquefaction; 1989 nendo ekika shoki kotei ni okeru sekitan shori gijutsu no kenkyu hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1990-03-01

This paper reports the achievements in the Sunshine Project in fiscal 1988 in studies on the studies of the initial process in liquefaction. It is intended to identify the swelling phenomenon in coal particles in the coal slurry preparation and preheating processes, and change in the slurry viscosity associated with the heating. The slurry viscosity starts decreasing from around 300 degrees C at which the liquefying reaction begins, and decreases sharply at around 350 degrees C. Therefore, rise in the viscosity at temperatures below 300 degrees C is caused by factors other than the liquefying reaction. The rise starting at 100 to 120 degrees C is due to absorption of the solvent by coal. The rise starting at 210 to 260 degrees C requires further discussions. The equilibrium swelling ratio was measured on different types of coals by using the hydrogenated anthracene oil solvent. No coals swelled at 100 degrees C. The temperature of 200 degrees C largely divides coals into those swelling and those not swelling. At 300 degrees C, the coals were divided into those shrinking after largely swelling, those not swelling and those swelling monotonously. For consideration of the utilization as an auxiliary solvent, petroleum-based heavy oil was used to perform coal liquefaction to discuss effects of the solvent on the liquefaction rates. (NEDO)

Searching out the hydrogen absorption/desorption limiting reaction factors: Strategies allowing to increase kinetics

Energy Technology Data Exchange (ETDEWEB)

Zeaiter, Ali, E-mail: ali.zeaiter@femto-st.fr; Chapelle, David; Nardin, Philippe

2015-10-05

Highlights: • A macro scale thermodynamic model that simulates the response of a FeTi-X hydride tank is performed, and validated experimentally. • A sensibility study to identify the most influent input variables that can changes very largely the reaction rate. - Abstract: Hydrogen gas has become one of the most promising energy carriers. Main breakthrough concerns hydrogen solid storage, specially based on intermetallic material use. Regarding the raw material abundance and cost, the AB type alloy FeTi is an auspicious candidate to store hydrogen. Its absorption/desorption kinetics is a basic hindrance to common use, compared with more usual hydrides. First, discussions based on literature help us identifying the successive steps leading to metal hydriding, and allow to introduce the physical parameters which drive or limit the reaction. This analysis leads us to suggest strategies in order to increase absorption/desorption kinetics. Attention is then paid to a thermofluidodynamic model, allowing to describe a macroscopic solid storage reactor. Thus, we can achieve a simulation which describes the overall reaction inside the hydrogen reactor and, by varying the sub-mentioned parameters (thermal conductivity, the powder granularity, environment heat exchange…), we attempt to hierarchy the reaction limiting factors. These simulations are correlated to absorption/desorption experiments for which pressure, temperature and hydrogen flow are recorded.

Composition of coal tar from pyrolysis and hydropyrolysis of Shenmu coal macerals

Energy Technology Data Exchange (ETDEWEB)

Sun, Q.; Li, W.; Chen, H.; Li, B. [Shandong Academy of Sciences, Jinan (China)

2005-08-15

To understand the relationship of the tar compositions and the coal macerals, the tars obtained from the pyrolysis and hydropyrolysis of Shenmu coal macerals in a fixed-bed reactor were analysed using GC-MS. And the effects of petrographic component, atmosphere and pressure on the yield of aromatic hydrocarbon, phenols, hydrocarbons, oxygen-containing heterocycle and PAHs were systematically investigated. The results show that there is great difference in the composition and the relative content of long chain hydrocarbons, aromatic hydrocarbons, phenols, oxygen-containing heterocycle and PAHs in tars from vitrinite and inertinite pyrolysis. Vitrinite tar contains high content of hydrocarbon with long chain, and inertinite tar contains high content of aromatic hydrocarbons, phenols, oxygen-containing heterocycle and PAHs. It suggests that vitrinite has lower aromaticity and longer chain in its structure than inertinite, which is in well agreement with the result from {sup 13}C NMR and FT-IR test. The tar yield of hydropyrolysis is higher than that of pyrolysis. With increasing the hydrogen pressure, the yield of tar increases greatly. The content of phenols and naphthalene in vitrinite tar form hydropyrolysis under 0.1 MPa is much lower than that form pyrolysis, while that of inertinite tar changes a little. The difference of tar compositions and relative content during pyrolysis and hydropyrolysis reflects the effect of hydrogenation and hydrocracking reactions and the structure characteristics of the macerals. 12 refs., 3 figs.

Studies of coupled chemical and catalytic coal conversion methods

Energy Technology Data Exchange (ETDEWEB)

Stock, L.M.

1990-01-01

This report concerns our research on base-catalyzed coal solubilization and a new approach for hydrogen addition. The work on base-catalyzed, chemical solubilization is continuing. this report is focused on the hydrogenation research. Specifically it deals with the use of arene chromium carbonyl complexes as reagents for the addition of dideuterium to coal molecules. In one phase of the work, he has established that the aromatic hydrocarbons in a representative coal liquid can be converted in very good yield to arene chromium carbonyl compounds. In a second phase of the work directly related to our objective of improved methods for catalytic hydrogenation, he has established that the aromatic constituents of the same coal liquid add dideuterium in the presence of added napththalene chromium carbonyl.

COAL/POLYMER COPROCESSING WITH EFFICIENT USE OF HYDROGEN

Energy Technology Data Exchange (ETDEWEB)

Dr. Linda J. Broadbelt; Matthew J. DeWitt; Hsi-Wu Wong

2000-09-30

The final project period was devoted to investigating the binary mixture pyrolysis of polypropylene and polystyrene. Their interactions were assessed in order to provide a baseline for experiments with multicomponent mixtures of polymers with coal. Pyrolysis of polypropylene, polystyrene and their binary mixture was investigated at temperatures of 350 C and 420 C with reaction times from 1 to 180 minutes. Two different loadings, 10 mg and 20 mg, were studied for neat polypropylene and polystyrene to assess the effect of total pressure on product yields and selectivities. For neat pyrolysis of polypropylene, total conversion was much higher at 420 C, and no significant effect of loading on the total conversion was observed. Four classes of products, alkanes, alkenes, dienes, and aromatic compounds, were observed, and their distribution was explained by a typical free radical mechanism. For neat polystyrene pyrolysis, conversion reached approximately 75% at 350 C, while at 420 C the conversion reached a maximum around 90% at 10 minutes and decreased at longer times because of condensation reactions. The selectivities to major products were slightly different for the two different loadings due to the effect of total reaction pressure on secondary reactions. For binary mixture pyrolysis, the overall conversion was higher than the average of the two neat cases. The conversion of polystyrene remained the same, but a significant enhancement in the polypropylene conversion was observed. This suggests that the less reactive polypropylene was initiated by polystyrene-derived radicals. These results are summarized in detail in an attached manuscript that is currently in preparation. The other results obtained during the lifetime of this grant are documented in the set of attached manuscripts.

Core-shell rhodium sulfide catalyst for hydrogen evolution reaction / hydrogen oxidation reaction in hydrogen-bromine reversible fuel cell

Science.gov (United States)

Li, Yuanchao; Nguyen, Trung Van

2018-04-01

Synthesis and characterization of high electrochemical active surface area (ECSA) core-shell RhxSy catalysts for hydrogen evolution oxidation (HER)/hydrogen oxidation reaction (HOR) in H2-Br2 fuel cell are discussed. Catalysts with RhxSy as shell and different percentages (5%, 10%, and 20%) of platinum on carbon as core materials are synthesized. Cyclic voltammetry is used to evaluate the Pt-equivalent mass specific ECSA and durability of these catalysts. Transmission electron microscopy (TEM), X-ray Photoelectron spectroscopy (XPS) and Energy-dispersive X-ray spectroscopy (EDX) techniques are utilized to characterize the bulk and surface compositions and to confirm the core-shell structure of the catalysts, respectively. Cycling test and polarization curve measurements in the H2-Br2 fuel cell are used to assess the catalyst stability and performance in a fuel cell. The results show that the catalysts with core-shell structure have higher mass specific ECSA (50 m2 gm-Rh-1) compared to a commercial catalyst (RhxSy/C catalyst from BASF, 6.9 m2 gm-Rh-1). It also shows better HOR/HER performance in the fuel cell. Compared to the platinum catalyst, the core-shell catalysts show more stable performance in the fuel cell cycling test.

Electronic interactions decreasing the activation barrier for the hydrogen electro-oxidation reaction

International Nuclear Information System (INIS)

Santos, Elizabeth; Schmickler, Wolfgang

2008-01-01

A unified model for electrochemical electron transfer reactions which explicitly accounts for the electronic structure of the electrode recently proposed by us is applied to the hydrogen oxidation reaction at different metal electrocatalysts. We focus on the changes produced in the transition state (saddle point) as a consequence of the interactions with d-bands. We discuss different empirical correlations between properties of the metal and catalytic activity proposed in the past. We show which role is played by the band structure of the different metals and its interaction with the molecule for decreasing the activation barrier. Finally, we demonstrate why some metals are better electrocatalysts for the hydrogen electro-oxidation reaction than others

The Determination of Hydrogen Sulfide in Stack Gases, Iodometric Titration After Sulfite Removal.

Science.gov (United States)

Robles, E. G.

The determination of hydrogen sulfide in effluents from coal-fired furnaces and incinerators is complicated by the presence of sulfur oxides (which form acids). Organic compounds also may interfere with or prevent the formation of the cadmium sulfide precipitate or give false positive results because of reaction with iodine. The report presents a…

Report on the achievements in the Sunshine Project in fiscal 1986. Coal energy (Studies on coal liquefying catalysts and a liquefied oil analyzing method); 1986 nendo sekitan ekikayo shokubai oyobi ekikayu bunsekiho no kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1987-03-01

The present studies are intended to study catalysts that make manufacture of liquid fuel possible through coal liquefying reactions, and establish a liquefied oil analyzing method. The following items are discussed based on the achievements obtained by fiscal 1985: in the studies on coal liquefying catalysts, (1) a study on selectively liquefying catalysts, in which elucidation is made on effects of catalyst carriers on reaction selectivity and life of coal liquefying catalysts, and fundamental data are accumulated toward designing the catalysts with respect to catalyst carriers capable of selective hydrogenating reactions, and to carrying conditions; and (2) a study on solvent properties and reaction conditions. in which Mo-based catalysts are used to perform kinetic discussions on the relationship between the liquefying reaction conditions and compositions of solvents and produced oil to accumulate data for elucidating the action mechanisms of the Mo-based catalysts. In the study of the liquefied oil analyzing method, discussions are carried out on a measuring technology to expand the conventional method for liquefied oil analysis to hard-to-volatilize components. For the light and medium oils, an analyzing method will be established that utilizes effectively the NMR method and the MS method that have been established to date. (NEDO)

Hydrodesulphurization of Light Gas Oil using hydrogen from the Water Gas Shift Reaction

Science.gov (United States)

Alghamdi, Abdulaziz

2009-12-01

The production of clean fuel faces the challenges of high production cost and complying with stricter environmental regulations. In this research, the ability of using a novel technology of upgrading heavy oil to treat Light Gas Oil (LGO) will be investigated. The target of this project is to produce cleaner transportation fuel with much lower cost of production. Recently, a novel process for upgrading of heavy oil has been developed at University of Waterloo. It is combining the two essential processes in bitumen upgrading; emulsion breaking and hydroprocessing into one process. The water in the emulsion is used to generate in situ hydrogen from the Water Gas Shift Reaction (WGSR). This hydrogen can be used for the hydrogenation and hydrotreating reaction which includes sulfur removal instead of the expensive molecular hydrogen. This process can be carried out for the upgrading of the bitumen emulsion which would improve its quality. In this study, the hydrodesulphurization (HDS) of LGO was conducted using in situ hydrogen produced via the Water Gas Shift Reaction (WGSR). The main objective of this experimental study is to evaluate the possibility of producing clean LGO over dispersed molybdenum sulphide catalyst and to evaluate the effect of different promoters and syn-gas on the activity of the dispersed Mo catalyst. Experiments were carried out in a 300 ml Autoclave batch reactor under 600 psi (initially) at 391°C for 1 to 3 hours and different amounts of water. After the hydrotreating reaction, the gas samples were collected and the conversion of carbon monoxide to hydrogen via WGSR was determined using a refinery gas analyzer. The sulphur content in liquid sample was analyzed via X-Ray Fluorescence. Experimental results showed that using more water will enhance WGSR but at the same time inhibits the HDS reaction. It was also shown that the amount of sulfur removed depends on the reaction time. The plan is to investigate the effect of synthesis gas (syngas

Report on the bituminous coal liquefaction sub-committee in fiscal 1992; 1992 nendo rekiseitan ekika bukai hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1993-03-01

This paper reports the activities of the bituminous coal liquefaction sub-committee in the Sunshine Project in fiscal 1992. With an intention of developing a technology on the process (NEDOL) suitable for liquefaction of wide range of coal types placing sub-bituminous coal at the center, researches were carried out by using a pilot plant, and engineering data purposed for practical application of the technology were acquired. The construction of the pilot plant was launched in fiscal 1991. It is necessary to execute the pilot plant plan steadily in the future, and at the same time, reliably acquire different data by means of supportive researches. Economic performance of the process is also important. The first sub-committee meeting presented the following agenda: the status of constructing the 150-t/d pilot plant, tests and investigations thereon, research works by using a 1-t/d PSU, development of the most suitable coal refining technology, development of a coal pretreatment technology, improvement of the distilled oil distribution, studies on coal liquefaction conditions, and studies on solvent hydrogenating catalysts. The second sub-committee meeting presented the following agenda: the status of constructing the pilot plant, tests and investigations on improving the performance of natural pylite catalyst and circulating solvent, technological investigations on structuring a liquefying reaction data analyzing system, studies using a 1-t/d PSU, development of the most suitable coal refining technology, studies on coal liquefaction conditions, and studies on solvent hydrogenating catalysts. (NEDO)

The importance of coal in energy

International Nuclear Information System (INIS)

Onal, Guven

2006-01-01

An 87% of the total energy requirement of the world is supplied by fossil fuels such as coal, fuel oil, and natural gas, while the rest comes from the other sources, like hydroelectric and nuclear power plants. Coal, as a fuel oil equivalent, has the greatest reserves (70%) among the fossil fuels and is very commonly found in the world. While the share of coal in the production of electricity was 39% in 2004 it is expected to rise to 48% in 2020. In the direction of sustainable development, the utilization of coal in energy production is constantly increasing and related researches are continuing. Today, the development and economics of hybrid electricity production; gas, fluid fuel, and hydrogen production from coal are being investigated and their industrial applications are slowly emerging. The surprisingly sharp increase in fuel oil and natural gas prices proves the defectiveness of the energy strategies of Turkey in effect since the 1990. Turkey should turn to coal without wasting more time, accept the utilization of clean coal in energy production, and determine her road-map. Increasing the efficiency of thermal power plants which utilize coal; hybrid technology; and gas, fluid fuel, and hydrogen production technologies from coal are investigated in this paper and suggestions are made.

Zinc electrodeposition from flowing alkaline zincate solutions: Role of hydrogen evolution reaction

Science.gov (United States)

Dundálek, Jan; Šnajdr, Ivo; Libánský, Ondřej; Vrána, Jiří; Pocedič, Jaromír; Mazúr, Petr; Kosek, Juraj

2017-12-01

The hydrogen evolution reaction is known as a parasitic reaction during the zinc electrodeposition from alkaline zincate solutions and is thus responsible for current efficiency losses during the electrolysis. Besides that, the rising hydrogen bubbles may cause an extra convection within a diffusion layer, which leads to an enhanced mass transport of zincate ions to an electrode surface. In this work, the mentioned phenomena were studied experimentally in a flow through electrolyzer and the obtained data were subsequently evaluated by mathematical models. The results prove the indisputable influence of the rising hydrogen bubbles on the additional mixing of the diffusion layer, which partially compensates the drop of the current efficiency of the zinc deposition at higher current flows. Moreover, the results show that the current density ratio (i.e., the ratio of an overall current density to a zinc limiting current density) is not suitable for the description of the zinc deposition, because the hydrogen evolution current density is always involved in the overall current density.

Simulation of pulverized coal fired boiler: reaction chamber

Energy Technology Data Exchange (ETDEWEB)

Rodrigues, C.P.; Lansarin, M.A.; Secchi, A.R.; Mendes, T.F. [Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS (Brazil). Dept. de Engenharia Quimica. Grupo de Modelagem, Simulacao, Controle e Otimizacao de Processos)]. E-mail: {cperdomo, marla, arge, talita}@enq.ufrgs.br

2005-06-15

This work is part of a joint project to built a computational tool for power plant simulation, dealing specifically with the reaction chamber (place of the boiler where the fuel is burned). In order to describe the conversion of chemical energy to thermal energy, an one dimensional pseudo-homogeneous mathematical model, with variable physical properties, and based on mass and energy balances, was developed. The equations were implemented in the gPROMS simulator and the model parameters were estimated using the module gEST of this software, with experimental data from a large-scale coal-fired utility boiler and kinetic data from the open literature. The results showed that the model predicts the composition of the outlet combustion gas satisfactorily. (author)

Coal liquefaction in an inorganic-organic medium. [DOE patent application

Science.gov (United States)

Vermeulen, T.; Grens, E.A. II; Holten, R.R.

Improved process for liquefaction of coal by contacting pulverized coal in an inorganic-organic medium solvent system containing a ZnCl/sub 2/ catalyst, a polar solvent with the structure RX where X is one of the elements O, N, S, or P, and R is hydrogen or a lower hydrocarbon radical; the solvent system can contain a hydrogen donor solvent (and must when RX is water) which is immiscible in the ZnCl/sub 2/ and is a hydroaromatic hydrocarbon selected from tetralin, dihydrophenanthrene, dihydroanthracene or a hydrogenated coal derived hydroaromatic hydrocarbon distillate fraction.

Hydrogen energy assessment

Energy Technology Data Exchange (ETDEWEB)

Salzano, F J; Braun, C [eds.

1977-09-01

The purpose of this assessment is to define the near term and long term prospects for the use of hydrogen as an energy delivery medium. Possible applications of hydrogen are defined along with the associated technologies required for implementation. A major focus in the near term is on industrial uses of hydrogen for special applications. The major source of hydrogen in the near term is expected to be from coal, with hydrogen from electric sources supplying a smaller fraction. A number of potential applications for hydrogen in the long term are identified and the level of demand estimated. The results of a cost benefit study for R and D work on coal gasification to hydrogen and electrolytic production of hydrogen are presented in order to aid in defining approximate levels of R and D funding. A considerable amount of data is presented on the cost of producing hydrogen from various energy resources. A key conclusion of the study is that in time hydrogen is likely to play a role in the energy system; however, hydrogen is not yet competitive for most applications when compared to the cost of energy from petroleum and natural gas.

Significance of Isotopically Labile Organic Hydrogen in Thermal Maturation of Organic Matter

Energy Technology Data Exchange (ETDEWEB)

Arndt Schimmelmann; Maria Mastalerz

2010-03-30

Isotopically labile organic hydrogen in fossil fuels occupies chemical positions that participate in isotopic exchange and in chemical reactions during thermal maturation from kerogen to bitumen, oil and gas. Carbon-bound organic hydrogen is isotopically far less exchangeable than hydrogen bound to nitrogen, oxygen, or sulfur. We explore why organic hydrogen isotope ratios express a relationship with organic nitrogen isotope ratios in kerogen at low to moderate maturity. We develop and apply new techniques to utilize organic D/H ratios in organic matter fractions and on a molecular level as tools for exploration for fossil fuels and for paleoenvironmental research. The scope of our samples includes naturally and artificially matured substrates, such as coal, shale, oil and gas.

Achievement report for fiscal 1984 on Sunshine Program. Basic research on coal type and gasification characteristics; 1984 nendo tanshu to gas ka tokusei no kiso kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1985-03-01

The study of pressurized fluidized gasification of coal chars started in fiscal 1975, and a 0.2t/d unit was in operation until fiscal 1979. Since fiscal 1980, a 1t/d unit has been in operation. In fiscal 1984, an entrained bed gasification furnace was constructed, capable of high-temperature gasification of various coals, and it is now undergoing a test operation. This report consists of pressurized gasification tests for coal char, the result of a study on the effect of coal type on the char gasification reaction rate, and the result of experiments on the treatment of coal liquefaction residue, all accomplished in the 1t/d gasification unit. For the investigation of the effect of coal type, chars of 13 types of coals are subjected to reaction tests in the carbon dioxide gas, and weight reduction rates and changes in residue surface areas are determined while reaction is under way. The results are analyzed and parameters are made clear that enable a quantitative assessment of the effect of coal type on gasification reaction rates. Pulverized grains and coal liquefaction residue are blended and gasified in the fluidized bed in the presence of oxygen and steam. As the result, a gas capable of 2,000kcal/Nm{sup 3} containing 30% hydrogen and 25% carbon monoxide is acquired, when catalyst grains in the residue are segregated. (NEDO)

Report on the FY 1998 results of the New Sunshine Project (B version). Development of coal liquefaction technology (Development of base technology of liquefaction (Project on internationalization of coal liquefaction technology)); 1998 nendo sekitan ekika gijutsu kaihatsu seika hokokusho (B ban). Ekika kiban gijutsu no kaihatsu (sekitan ekika gijutsu no kokusaika jigyo)

Energy Technology Data Exchange (ETDEWEB)

NONE

1999-03-01

In 1994, a memorandum on the research cooperation was agreed between NEDO and BPPT (The Agency for the Assessment and Application Technology) in Indonesia, based on the request for the coal liquefaction technology cooperation from BPPT. It includes the following items: conference for professionals to be held, invitation and training of Indonesian engineers, activity for joint field survey and potential survey of location of coal liquefaction commercial plant. Further in 1997, the secondary memorandum was concluded for the potential survey for securing the hydrogen required for coal liquefaction by coal gasification. The survey was summarized as the potential survey for location of coal liquefaction. In the testing study for improving economical efficiency of liquefaction process, it was made clear that the higher the Fe content of Banko coal is, the higher the reaction of liquefaction is, and that Fe compounds in coal show catalysis. In the Soroako area in Sulawesi island, there are the nickel mine run by PT. Inco. Soroako limonite is promising as catalyst material for commercial-scale coal liquefaction. In the gasification method, the plant construction cost increases, but the production amount of coal-derived liquid can be increased. That is more profitable than the production of hydrogen from natural gas. (NEDO)

Novel technique for coal pyrolysis and hydrogenation product analysis. Quarterly report, June 1, 1992

Energy Technology Data Exchange (ETDEWEB)

Pfefferle, L.D.

1992-12-31

This report covers the last quarter of the last year of the three-year grant period. In the final project year, we concentrated on the pyrolysis and oxidative pyrolysis of large hydrocarbons and mixtures of large and small hydrocarbons in order to develop the VUV-MS technique for compounds more representative of those in coal pyrolysis applications. Special focus was directed at the pyrolysis and oxidative pyrolysis of benzene and benzene acetylene mixtures. The acetylene/benzene mixtures were used to gain a better understanding of the mechanisms of molecular growth in such systems specifically to look at the kinetics of aryl-aryl reactions as opposed to small molecule addition to phenyl radicals. Sarofim and coworkers at MIT have recently demonstrated the importance of these reactions in coal processing environments. In the past, the growth mechanism for the formation of midsized PAH has been postulated to involve primarily successive acetylene additions to phenyl-type radicals, our work confmns this as an important mechanism especially for smaller PAH but also investigates conditions where biaryl formation can play an important role in higher hydrocarbon formation.

Hydrogen release from irradiated elastomers measured by Nuclear Reaction Analysis

Energy Technology Data Exchange (ETDEWEB)

Jagielski, J., E-mail: jacek.jagielski@itme.edu.pl [Institute for Electronic Materials Technology, Wolczynska 133, 01-926 Warszawa (Poland); National Centre for Nuclear Research, A. Soltana 7, 05-400 Swierk/Otwock (Poland); Ostaszewska, U. [Institute for Engineering of Polymer Materials & Dyes, Division of Elastomers & Rubber Technology, Harcerska 30, 05-820 Piastow (Poland); Bielinski, D.M. [Technical University of Lodz, Institute of Polymer & Dye Technology, Stefanowskiego 12/16, 90-924 Lodz (Poland); Grambole, D. [Institute of Ion Beam Physics and Materials Research, Helmholtz Zentrum Dresden Rossendorf, PO Box 51 01 19, D-01314 Dresden (Germany); Romaniec, M.; Jozwik, I.; Kozinski, R. [Institute for Electronic Materials Technology, Wolczynska 133, 01-926 Warszawa (Poland); Kosinska, A. [National Centre for Nuclear Research, A. Soltana 7, 05-400 Swierk/Otwock (Poland)

2016-03-15

Ion irradiation appears as an interesting method of modification of elastomers, especially friction and wear properties. Main structural effect caused by heavy ions is a massive loss of hydrogen from the surface layer leading to its smoothening and shrinking. The paper presents the results of hydrogen release from various elastomers upon irradiation with H{sup +}, He{sup +} and Ar{sup +} studied by using Nuclear Reaction Analysis (NRA) method. The analysis of the experimental data indicates that the hydrogen release is controlled by inelastic collisions between ions and target electrons. The last part of the study was focused on preliminary analysis of mechanical properties of irradiated rubbers.

Reaction path sampling of the reaction between iron(II) and hydrogen peroxide in aqueous solution

NARCIS (Netherlands)

Ensing, B.; Baerends, E.J.

2002-01-01

Previously, we have studied the coordination and dissociation of hydrogen peroxide with iron(II) in aqueous solution by Car-Parrinello molecular dynamics at room temperature. We presented a few illustrative reaction events, in which the ferryl ion ([Fe(IV)O

Technology of new generation of manufacture of liquid products from coal

Directory of Open Access Journals (Sweden)

Zhaksyntay Kairbekov

2012-04-01

Full Text Available In the given work the review about a condition of research and trial works on technology perfection hydrogenation coals is made. Done design work on processing 65 thousand tons / year Karazhyra coal to liquid fuels and other products of combustion purposes. The basic advantage of the Kazakhstan technology for producing motor fuels coal hydrogenation at low pressure hydrogen (up to 5 MPa compared to the processes developed in the USA, Germany, Japan, Great Britain, and Russia. An integrated low-waste technology and coal processing, which allows the production of industrially important: liquid and patent fuel, binders for briquetting, and allocate bitumen due to the utilization of sludge.

Ab initio molecular dynamics simulations for the role of hydrogen in catalytic reactions of furfural on Pd(111)

Science.gov (United States)

Xue, Wenhua; Dang, Hongli; Liu, Yingdi; Jentoft, Friederike; Resasco, Daniel; Wang, Sanwu

2014-03-01

In the study of catalytic reactions of biomass, furfural conversion over metal catalysts with the presence of hydrogen has attracted wide attention. We report ab initio molecular dynamics simulations for furfural and hydrogen on the Pd(111) surface at finite temperatures. The simulations demonstrate that the presence of hydrogen is important in promoting furfural conversion. In particular, hydrogen molecules dissociate rapidly on the Pd(111) surface. As a result of such dissociation, atomic hydrogen participates in the reactions with furfural. The simulations also provide detailed information about the possible reactions of hydrogen with furfural. Supported by DOE (DE-SC0004600). This research used the supercomputer resources of the XSEDE, the NERSC Center, and the Tandy Supercomputing Center.

Coal and biomass-based chemicals via carbonylation, hydroformylation and homologation reactions

Energy Technology Data Exchange (ETDEWEB)

Sunavala, P.D.; Raghunath, B.

The paper emphasizes the importance of carbonylation, hydroformylation and homologation reactions in the manufacture of organic chemicals (such as acetic acid, acetic anhydride, cellulose acetate, vinyl acetate monomer, aliphatic amines, isocyanates, methanol, ethanol, n-butanol, ethylene glycol, acrylic acid, etc.) from coal and biomass feedstocks. Topics covered are: synthesis of acetic acid; manufacture of acetic anhydride; synthesis of vinyl acetate monomer by carbonylation; synthesis of aliphatic amines by hydroformylation; synthesis of organic diisocyanates; ethanol synthesis by homologation of methanol; synthesis of ethylene glycol via hydroformylation of formaldehyde; synthesis of n- butanol and n-butyraldehyde by propylene formylation; synthesis of acrylic acid; homologation reaction of carboxylic acid esters with ruthenium catalysts; and synthesis of phenyl isocyanate from nitrobenzene by reductive carbonylation. 26 refs.

Generalized transition state theory. Quantum effects for collinear reactions of hydrogen molecules and isotopically substituted hydrogen molecules

International Nuclear Information System (INIS)

Garrett, B.C.; Truhlar, D.G.

1979-01-01

Canonical variational transition state theory, microcanonical variational transition state theory, and Miller's unified statistical theory were used in an attempt to correct two major deficiencies of the conventional transition state theory. These are: (1) the necessity of extra assumptions to include quantum mechanical tunneling effects and (2) the fundamental assumption that trajectories crossing a dividing surface in phase space proceed directly to products. The accuracy of these approximate methods were tested by performing calculations for several collinear reactions of hydrogen, deuterium, chlorine, or iodine, with five isotopes of hydrogen molecules and comparison of these results with those from accurate quantitative calculations of the reaction probabilities as functions of energy and of the thermal rate constants as functions of temperature. 49 references, 28 figures, 17 tables

Reactions of oxygen and hydrogen with liquid sodium - a critical survey

International Nuclear Information System (INIS)

Ullmann, H.

1982-01-01

The fundamentals of solvation chemistry are presented with appropriate components formulated. Methods of investigation and kinetics of the reactions are described. The hydrogen equilibrium pressure and saturation solubilities are described. The chemical equilibrium between O and H in solution is presented with detailed tabulation of the saturation solutions of oxygen, hydrogen and hydroxide in liquid sodium. Agreements and differences with the literature are presented

Experimental and Numerical Investigation of Effect of Coal Rank on Burn-off Time in Pulverized Coal Combustion

OpenAIRE

Nozawa, Sohei; Wada, Nozomi; Matsushita, Yosuke; Yamamoto, Tsuyoshi; Omori, Motohira; Harada, Tatsuro

2012-01-01

Thermogravimetry (TG) for two different coal ranks, Loy Yang coal and Newlands coal, was carried out in an atmospheric air environment. Detailed parameters of the heterogeneous oxidation reaction for each coal rank were estimated by analyzing the TG results. Heat and mass transfer of a single pulverized coal particle that was heated at a constant temperature were numerically simulated. In this calculation, the decrease in the mass ratio caused by the oxidation reaction was considered. The num...

Aromatic chemical feedstocks from coal

Energy Technology Data Exchange (ETDEWEB)

Collin, G

1982-06-01

Liquid byproducts of coal carbonization meet some 25% of the world demand for aromatic chemicals, currently at approx. 30 million t/a, in particular 15% of the demand for benzene and over 95% of the demand for condensed aromatics and heteroaromatics. Industrial processing of the aromatic byproducts of coal pressure gasification is carried out to only a minor extent. Other methods that may be employed in future to obtain carbochemical aromatic compounds are solvolysis and supercritical gas extraction, the catalytic liquid-phase hydrogenation and hydropyrolysis of coal, which also permit recovery of benzene and homologues, phenols, and condensed and partially hydrogenated aromatics, and the synthesis of aromatics using methanol as the key compound. As with the present means of obtaining aromatic chemicals from coal, the processes that may in the future be applied on an industrial scale to obtain pure aromatics will only be economically feasible if linked with the manufacture of other mass products and combined with the present production of carbochemical aromatics.

Aromatic raw materials from coal

Energy Technology Data Exchange (ETDEWEB)

Collin, G

1982-06-01

Liquid byproducts of coal carbonization meet some 25% of the world demand for aromatic chemicals, currently at approx. 30 million t/a, in particular 15% of the demand for benzene and over 95% of the demand for condensed aromatics and heteroaromatics. Industrial processing of the aromatic byproducts of coal pressure gasification is carried out to only a minor extent. Other methods that may be employed in future to obtain carbochemical aromatic compounds are solvolysis and supercritical gas extraction, the catalytic liquid-phase hydrogenation and hydropyrolysis of coal, which also permit recovery of benzene and homologues, phenols, and condensed and partially hydrogenated aromatics, and the synthesis of aromatics using methanol as the key compound. As with the present means of obtaining aromatic chemicals from coal, the processes that may in future be applied on an industrial scale to obtain pure aromatics will only be economically feasible if linked with the manufacture of other mass products and combined with the present production of carbochemical aromatics. (In German)

Petrographic characterization of the solid products of coal- pitch coprocessing

Energy Technology Data Exchange (ETDEWEB)

Potter, J.; Kybett, B.D.; McDougall, W.J.; Nambudiri, E.M.V.; Rahimi, P.; Price, J.T.

1986-06-01

Petrographic studies were conducted on four solid residues resulting from the hydrogenation process of 1) Forestburg sub- bituminous coal alone, 2) the coal with a non-coking solvent (anthracene oil), 3) pitch (Cold Lake vacuum-bottom deposits), and 4) a mixture of coal and pitch. The purpose was to determine the amounts of coal and pitch-derived solids in the residues. All the residues were produced under identical severe conditions of liquefaction to promote the formation of solids. The coal processed with anthracene oil gives a residue consisting mainly of isotropic huminitic solids. If the coal is hydrogenated under similar conditions but without a solvent, the predominant residual solids are anisotropic semicokes displaying coarse mosaic textures, which form from vitroplast. The residual products from the hydrogenated Cold Lake vacuum- bottom deposits are also dominantly anisotropic semicokes; these display coarse mosaics and flow textures, and form by the growth and coalescence of mesophase spherules. Both coal- and pitch-derived solids are identified in a residue produced by coprocessing the Forestburg coal with the pitch from the Cold Lake vacuum-bottom deposits. It is concluded that the huminite macerals in the coal generate the fine-grained, mosaic-textured semicokes, whereas the pitch produces the coarse mosaics and flow-textured semicokes.

Gaseous exchange reaction of deuterium between hydrogen and water on hydrophobic catalyst supporting platinum

International Nuclear Information System (INIS)

Izawa, Hirozumi; Isomura, Shohei; Nakane, Ryohei.

1979-01-01

The deuterium exchange reaction between hydrogen and water in the gas phase where the fed hydrogen gas is saturated with water vapor is studied experimentally by use of the proper hydrophobic catalysts supporting platinum. It is found that the activities of those catalysts for this reaction system are very high compared with the other known ones for the systems in which gas and liquid should coexist on catalyst surfaces, and that the apparent catalytic activity becomes larger as the amount of platinum supported on a catalyst particle increases. By analyses of the data the following informations are obtained. The exchange reaction can be expressed by a first order reversible reaction kinetics. The pore diffusion in the catalyst particles has significant effect on the overall reaction mechanisms. (author)

Advanced gasifier and water gas shift technologies for low cost coal conversion to high hydrogen syngas

Energy Technology Data Exchange (ETDEWEB)

Kramer, Andrew Kramer [Gas Technology Inst., Des Plaines, IL (United States)

2016-09-30

The Gas Technology Institute (GTI) and team members RTI International (RTI), Coanda Research and Development, and Nexant, are developing and maturing a portfolio of technologies to meet the United States Department of Energy (DOE) goals for lowering the cost of producing high hydrogen syngas from coal for use in carbon capture power and coal-to-liquids/chemicals. This project matured an advanced pilot-scale gasifier, with scalable and commercially traceable components, to readiness for use in a first-of-a-kind commercially-relevant demonstration plant on the scale of 500-1,000 tons per day (TPD). This was accomplished through cold flow simulation of the gasifier quench zone transition region at Coanda and through an extensive hotfire gasifier test program on highly reactive coal and high ash/high ash fusion temperature coals at GTI. RTI matured an advanced water gas shift process and catalyst to readiness for testing at pilot plant scale through catalyst development and testing, and development of a preliminary design basis for a pilot scale reactor demonstrating the catalyst. A techno-economic analysis was performed by Nexant to assess the potential benefits of the gasifier and catalyst technologies in the context of power production and methanol production. This analysis showed an 18%reduction in cost of power and a 19%reduction in cost of methanol relative to DOE reference baseline cases.

Mechanism of NH{sub 3} desorption during the reaction of H{sub 2} with nitrogen containing carbonaceous materials

Energy Technology Data Exchange (ETDEWEB)

Juan F. Espinal; Thanh N. Truong; Fanor Mondragon [University of Antioquia, Medellin (Colombia). Institute of Chemistry

2005-07-01

The continued increase in demand for natural gas has stimulated the interest in coal conversion to methane as synthetic natural gas by hydropyrolysis of coal (pyrolysis in a H{sub 2} atmosphere). Because the produced raw gas contains considerable amounts of gaseous N-containing products that have to be removed before delivering to final users, the information on distribution of coal-N is important for designing purification processes. It has been reported in the literature that NH{sub 3} is the main nitrogen containing gas that is released during the hydropyrolysis process. Other gases such as HCN and N{sub 2} are also released but in a much smaller amount. To the best of our knowledge, the mechanism for NH{sub 3} desorption during hydrogen reaction with carbonaceous materials has not been studied. We carried out a molecular modeling study using Density Functional Theory in order to get an insight of the mechanism and thermodynamics for NH{sub 3} evolution using pyridinic nitrogen as a model of N-containing carbonaceous material. We propose a mechanism that involves consecutive hydrogenation steps that lead to C-N bond breakage and NH{sub 3} desorption to the gas phase. It was found that the first hydrogenation reaction is highly exothermic. However, further hydrogenations are endothermic. Several pathways for NH{sub 3} evolution were proposed and most of them show high exothermicity. 17 refs., 2 figs.

Transport fuels from two-stage coal liquefaction

Energy Technology Data Exchange (ETDEWEB)

Benito, A.; Cebolla, V.; Fernandez, I.; Martinez, M.T.; Miranda, J.L.; Oelert, H.; Prado, J.G. (Instituto de Carboquimica CSIC, Zaragoza (Spain))

1994-03-01

Four Spanish lignites and their vitrinite concentrates were evaluated for coal liquefaction. Correlationships between the content of vitrinite and conversion in direct liquefaction were observed for the lignites but not for the vitrinite concentrates. The most reactive of the four coals was processed in two-stage liquefaction at a higher scale. First-stage coal liquefaction was carried out in a continuous unit at Clausthal University at a temperature of 400[degree]C at 20 MPa hydrogen pressure and with anthracene oil as a solvent. The coal conversion obtained was 75.41% being 3.79% gases, 2.58% primary condensate and 69.04% heavy liquids. A hydroprocessing unit was built at the Instituto de Carboquimica for the second-stage coal liquefaction. Whole and deasphalted liquids from the first-stage liquefaction were processed at 450[degree]C and 10 MPa hydrogen pressure, with two commercial catalysts: Harshaw HT-400E (Co-Mo/Al[sub 2]O[sub 3]) and HT-500E (Ni-Mo/Al[sub 2]O[sub 3]). The effects of liquid hourly space velocity (LHSV), temperature, gas/liquid ratio and catalyst on the heteroatom liquids, and levels of 5 ppm of nitrogen and 52 ppm of sulphur were reached at 450[degree]C, 10 MPa hydrogen pressure, 0.08 kg H[sub 2]/kg feedstock and with Harshaw HT-500E catalyst. The liquids obtained were hydroprocessed again at 420[degree]C, 10 MPa hydrogen pressure and 0.06 kg H[sub 2]/kg feedstock to hydrogenate the aromatic structures. In these conditions, the aromaticity was reduced considerably, and 39% of naphthas and 35% of kerosene fractions were obtained. 18 refs., 4 figs., 4 tabs.

Coal chemistry. 8. Reactions of tetralin with coal and with some carbon-14-containing model compounds

International Nuclear Information System (INIS)

Collins, C.J.; Raaen, V.F.; Benjamin, B.M.; Maupin, P.H.; Roark, W.H.

1979-01-01

When coal was treated with tetralin-l- 14 C at 400 0 C, small yields of α- and β-methylnaphthalenes- 14 C were observed. In order to determine the mechanism of the reaction, tetralin was heated with 14 C-labeled 1,3-diphenylpropanes (1), with 1,3-diphenylpropene (2), and with 14 C-labeled phenetoles (3). In each case methylnaphthalenes were observed, and the origins of the methyl groups were determined with carbon-14. In addition to the methylnaphthalenes, 1 and 2 also yielded toluene and ethylbenzene (after 19 h), whereas phenetole-β- 14 C (3-β- 14 C) yielded toluene (unlabeled) plus ethyl- 14 C-benzene, benzene, phenol, and a mixture of α- and β-ethyl- 14 C-naphthalenes. Crossover experiments with labeled phenetole and unlabeled ethyl p-tolyl ether proved the intramolecularity of the reaction phenetole → toluene + ethylbenzene, thus illustrating a 1,2-phenyl shift from oxygen to carbon

Effect of heat treatment changes on swelling treatment of coal; Sekitan no bojun shori sayo ni oyobosu netsushori henka no eikyo

Energy Technology Data Exchange (ETDEWEB)

Satsuka, T.; Mashimo, K.; Wainai, T. [Nihon University, Tokyo (Japan). College of Science and Technology

1996-10-28

Discussions were given on effects of heat treatment at relatively low temperatures as a pretreatment for coal liquefaction on coal swelling and hydrogenolysis reaction. Taiheiyo coal was heated to 200{degree}C for one hour as a pretreatment. The attempted heating methods consisted of four steps of rapid heating (6.7{degree}C/min)quenching (20{degree}C/min), rapid heating/natural cooling (0.7{degree}C/min), heating (1.0{degree}C/min)/quenching, and heating/natural cooling. The swelling treatment was composed of adding methanol benzene into heat treated coal, and leaving it at room temperature for 24 hours. The hydrogenolysis was carried out by using a tetralin solvent and at an initial hydrogen pressure of 20 kg/cm{sup 2} and a temperature of 350{degree}C and for a time of one hour. Hydrogenolysis conversion in the heat treated coal was found lower than that of the original coal because of generation of liquefaction inactive components due to thermal polymerization. When the heat treated coal is swollen by using the solvent, gas yield from the hydrogenolysis reaction decreased due to gas suppression effect, and the conversion was lower than that of the original coal. Heat treatment suggests densification of the coal structure. Swollen coal shows no conspicuous difference in the heat treatment methods against the hydrogenolysis due to the swelling effect. 3 refs., 5 figs., 1 tab.

Hydrogenation of Phenol over Pt/CNTs: The Effects of Pt Loading and Reaction Solvents

OpenAIRE

Feng Li; Bo Cao; Wenxi Zhu; Hua Song; Keliang Wang; Cuiqin Li

2017-01-01

Carbon nanotubes (CNTs)-supported Pt nanoparticles were prepared with selective deposition of Pt nanoparticles inside and outside CNTs (Pt–in/CNTs and Pt–out/CNTs). The effects of Pt loading and reaction solvents on phenol hydrogenation were investigated. The Pt nanoparticles in Pt–in/CNTs versus Pt–out/CNTs are smaller and better dispersed. The catalytic activity and reuse stability toward phenol hydrogenation both improved markedly. The dichloromethane–water mixture as the reaction solvent,...

Report on the brown coal liquefaction sub-committee in fiscal 1992; 1992 nendo kattan ekika bukai hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1993-03-01

This paper reports the activities of the brown coal liquefaction sub-committee in fiscal 1992. The first sub-committee meeting presented an interim report on the status of progress in complementary researches in fiscal 1992. The report covers the following items: discussions on effects of reaction factors on scale deposition in a preheater and a reactor and the liquefaction oil yield, supplementary experiments to enhance recovery rate of naphtha from under-flow in the de-ashing system and enhance accuracy of expression to estimate the interface precipitation velocity, and discussions on product oil types and catalyst types. The second sub-committee meeting reported fundamental discussions on the primary hydrogenation and hot water treatment of brown coal as an interim report on the achievements, and discussions on de-ashing and catalyst properties, liquefying reaction activity and scaling performance of catalysts. The third meeting reported the support on compiling the achievements by means of collecting complementary data of the pilot plant using PDU. A 7,800-hour life verification test was completed on the fixed bed secondary hydrogenation catalyst. A method was established to recover naphtha from the under-flow in a de-ashing settler. An expression to estimate the interface precipitation velocity was also established. Affirmation was made on the pylite catalyst performance, and reactivity of the category A coal assumed in the demonstration device. (NEDO)

Novel bimetallic dispersed catalysts for temperature-programmed coal liquefaction. Final report

Energy Technology Data Exchange (ETDEWEB)

Chunshan Song; Schobert, H.H.; Parfitt, D.P. [and others

1997-11-01

Development of new catalysts is a promising approach to more efficient coal liquefaction. It has been recognized that dispersed catalysts are superior to supported catalysts for primary liquefaction of coals, because the control of initial coal dissolution or depolymerization requires intimate contact between the catalyst and coal. This research is a fundamental and exploratory study on catalytic coal liquefaction, with the emphasis on exploring novel bimetallic dispersed catalysts for coal liquefaction and the effectiveness of temperature-programmed liquefaction using dispersed catalysts. The primary objective of this research was to explore novel bimetallic dispersed catalysts from organometallic molecular precursors, that could be used in low concentrations but exhibit relatively high activity for efficient hydroliquefaction of coals under temperature-programmed conditions. We have synthesized and tested various catalyst precursors in liquefaction of subbituminous and bituminous coals and in model compound studies to examine how do the composition and structure of the catalytic precursors affect their effectiveness for coal liquefaction under different reaction conditions, and how do these factors affect their catalytic functions for hydrogenation of polyaromatic hydrocarbons, for cleavage of C-C bonds in polycyclic systems such as 4-(1-naphthylmethyl)bibenzyl, for hydrogenolysis of C-O bond such as that in dinaphthylether, for hydrodeoxygenation of phenolic compounds and other oxygen-containing compounds such as xanthene, and for hydrodesulfurization of polycyclic sulfur compounds such as dibenzothiophene. The novel bimetallic and monometallic precursors synthesized and tested in this project include various Mo- and Fe-based compounds.

Report for the coal type committee in fiscal 1992; 1992 nendo tanshu iinkai hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1993-03-01

This paper reports the activities of the coal type committee in fiscal 1992, and summarizes the main technological achievements. In the Chinese coal liquefaction test, fiscal 1991 has performed liquefaction tests on Fushun coal by using a small continuous testing facility (0.1 t/d) at the Coal Chemistry Research Institute in Beijing. Fiscal 1992 has completed the liquefaction tests on Shengli coal. In October, a liquefaction test was carried out by using Tianzhu coal according to the NEDOL process. This paper reports the result of the liquefaction test on the Shengli coal, and the result of the analysis on the Fushun coal liquefied oil. The coal type selection and investigation having been performed to date reveals close correlation among the maceral composition of coal, coal rank and liquefied oil yield. Coals having good reactivity and suitable for liquefaction are generally suitable also for gasification. In the pretreatment of coal as a gasification material for hydrogen manufacture, a test was performed by using A heavy oil and tar sand bitumen plus A heavy oil as the granulating agents. With Montana coal, the highest de-ashing rate was achieved when the oil was added at 35% by weight. Both of the reaction rate and oil yield were improved. A handling test was carried out up to 72.5 degrees C, wherein Tatung coal presented no problems in both of the discharging and sticking tendencies. (NEDO)

C1 Chemistry for the Production of Ultra-Clean Liquid Transportation Fuels and Hydrogen

Energy Technology Data Exchange (ETDEWEB)

Gerald P. Huffman

2006-03-30

Professors and graduate students from five universities--the University of Kentucky, University of Pittsburgh, University of Utah, West Virginia University, and Auburn University--are collaborating in a research program to develop C1 chemistry processes to produce ultra-clean liquid transportation fuels and hydrogen, the zero-emissions transportation fuel of the future. The feedstocks contain one carbon atom per molecular unit. They include synthesis gas (syngas), a mixture of carbon monoxide and hydrogen produced by coal gasification or reforming of natural gas, methane, methanol, carbon dioxide, and carbon monoxide. An important objective is to develop C1 technology for the production of liquid transportation fuel and hydrogen from domestically plentiful resources such as coal, coalbed methane, and hydrocarbon gases and liquids produced from coal. An Advisory Board with representatives from Chevron-Texaco, Eastman Chemical, Conoco-Phillips, the Air Force Research Laboratory, the U.S. Army National Automotive Center, and Tier Associates provides guidance on the practicality of the research. The current report summarizes the results obtained in this program during the period October 1, 2002 through March 31, 2006. The results are presented in detailed reports on 16 research projects headed by professors at each of the five CFFS Universities and an Executive Summary. Some of the highlights from these results are: (1) Small ({approx}1%) additions of acetylene or other alkynes to the Fischer-Tropsch (F-T) reaction increases its yield, causes chain initiation, and promotes oxygenate formation. (2) The addition of Mo to Fe-Cu-K/AC F-T catalysts improves catalyst lifetime and activity. (3) The use of gas phase deposition to place highly dispersed metal catalysts on silica or ceria aerogels offers promise for both the F-T and the water-gas shift WGS reactions. (4) Improved activity and selectivity are exhibited by Co F-T catalysts in supercritical hexane. (5) Binary Fe

Nuclear reaction analysis of hydrogen in amorphous silicon and silicon carbide films

International Nuclear Information System (INIS)

Guivarc'h, A.; Le Contellec, M.; Richard, J.; Ligeon, E.; Fontenille, J.; Danielou, R.

1980-01-01

The 1 H( 11 B, α)αα nuclear reaction is used to determine the H content and the density of amorphous semiconductor Si 1 -sub(x)Csub(x)H 2 and SiHsub(z) thin films. Rutherford backscattering is used to determine the x values and infrared transmission to study the hydrogen bonds. We have observed a transfer or/and a release of hydrogen under bombardment by various ions and we show that this last effect must be taken into account for a correct determination of the hydrogen content. An attempt is made to correlate the hydrogen release with electronic and nuclear energy losses. (orig.)

A light water excess heat reaction suggests that cold fusion may be alkali-hydrogen fusion

International Nuclear Information System (INIS)

Bush, R.T.

1992-01-01

This paper reports that Mills and Kneizys presented data in support of a light water excess heat reaction obtained with an electrolytic cell highly reminiscent of the Fleischmann-Pons cold fusion cell. The claim of Mills and Kneizys that their excess heat reaction can be explained on the basis of a novel chemistry, which supposedly also explains cold fusion, is rejected in favor of their reaction being, instead, a light water cold fusion reaction. It is the first known light water cold fusion reaction to exhibit excess heat, it may serve as a prototype to expand our understanding of cold fusion. From this new reactions are deduced, including those common to past cold fusion studies. This broader pattern of nuclear reactions is typically seen to involve a fusion of the nuclides of the alkali atoms with the simplest of the alkali-type nuclides, namely, protons, deuterons, and tritons. Thus, the term alkali-hydrogen fusion seems appropriate for this new type of reaction with three subclasses: alkali-hydrogen fusion, alkali-deuterium fusion, and alkali-tritium fusion. A new three-dimensional transmission resonance model (TRM) is sketched. Finally, preliminary experimental evidence in support of the hypothesis of a light water nuclear reaction and alkali-hydrogen fusion is reported. Evidence is presented that appears to strongly implicate the transmission resonance phenomenon of the new TRM

Hydrogen-Bonding Catalysis of Tetraalkylammonium Salts in an Aza-Diels-Alder Reaction.

Science.gov (United States)

Kumatabara, Yusuke; Kaneko, Shiho; Nakata, Satoshi; Shirakawa, Seiji; Maruoka, Keiji

2016-08-05

A piperidine-derived tetraalkylammonium salt with a non-coordinating counteranion worked as an effective hydrogen-bonding catalyst in an aza-Diels-Alder reaction of imines and a Danishefsky diene. The hydrogen-bonding interaction between the ammonium salt and an imine was observed as part of a (1) H NMR titration study. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of pre-swelling of coal on its solvent extraction and liquefaction properties

Energy Technology Data Exchange (ETDEWEB)

Hengfu Shui; Zhicai Wang; Meixia Cao [Anhui University of Technology, Ma' anshan (China). School of Chemistry and Chemical Engineering

2008-10-15

Effects of pre-swelling of coal on solvent extraction and liquefaction properties were studied with Shenhua coal. It was found that pre-swelling treatments of the coal in three solvents, i.e., toluene (TOL), N-methyl-2-pyrrolidinone (NMP) and tetralin (THN) increased its extraction yield and liquefaction conversion, and differed the liquefied product distributions. The pre-swollen coals after removing the swelling solvents showed increased conversion in liquefaction compared with that of the swollen coals in the presence of swelling solvents. It was also found that the yields of (oil + gas) in liquefaction of the pre-swollen coals with NMP and TOL dramatically decreased in the presence of swelling solvent. TG and FTIR analyses of the raw coal, the swollen coals and the liquefied products were carried out in order to investigate the mechanism governing the effects of pre-swelling treatment on coal extraction and liquefaction. The results showed that the swelling pre-treatment could disrupt some non-covalent interactions of the coal molecules, relax its network structure and loosened the coal structure. It would thus benefit diffusion of a hydrogen donor solvent into the coal structure during liquefaction, and also enhance the hydrogen donating ability of the hydrogen-rich species derived from the coal. 21 refs., 4 figs., 3 tabs.

Thermovolumetric investigations of steam gasification of coals and their chars

Directory of Open Access Journals (Sweden)

Porada Stanisław

2017-01-01

Full Text Available The process of steam gasification of three coals of various rank and three chars obtained from these coals by the ex-situ method at 900 °C was compared. In the coal gasification process, the pyrolysis stage plays a very important part, which is connected with its direct impact on the kinetics of gasification of the resulting char. What is more, taking into consideration the impact of pyrolysis conditions on char properties, it should be anticipated that the gasification kinetics of coal and char, formed from it by the ex situ method, will be different. In order to examine and compare the process of gasification of coals and chars, an isothermal thermovolumetric method, designed by the authors, was applied. For all the examined samples the measurements were performed at three temperatures, i.e. 850, 900, and 950 °C, and at the pressure of 0.1 MPa. An evaluation of the impact of raw material on the steam gasification of the examined samples was made. The carbon conversion degree and the kinetic parameters of CO and H2 formation reaction were calculated. It was observed that the course of gasification is different for coals and chars obtained from them and it can be concluded that coals are more reactive than chars. Values of kinetic parameters of carbon monoxide and hydrogen formation calculated for coals and corresponding chars are also different. Due to the observed differences the process of gasification of coals and of chars with steam should not be equated.

Exchange reaction between hydrogen and deuterium. I. Importance of surface reactions in the steady-state mechanism

Energy Technology Data Exchange (ETDEWEB)

Marteau, C; Gaillard-Cusin, F; James, H [Centre National de la Recherche Scientifique, 45 - Orleans-la-Source (France). Centre de Recherches sur la Chimie de Combustion et des Hautes Temperatures

1978-05-01

Investigation of heterogeneous initiation process of gas phase linear chain reactions is carried out through the study of H/sub 2/-D/sub 2/ exchange reaction. Experimental data under study concern mainly the stationary rate of HD formation and the prestationary proceeding. Steady-state method accounts for the first one of these data; it allows to clearly compare the wall process part to the part played by the homogeneous chain reaction towards HD formation. Activation energy of exchange elementary step between chemisorbed hydrogen (on silica) and gaseous deuterium has been evaluated: Esub(e1)=52+-1 Kcal/mole.

Hydrogenating oils. [British patent

Energy Technology Data Exchange (ETDEWEB)

1938-08-31

A safety fuel boiling within the limits 130/sup 0/ to 260/sup 0/C, is obtained by treating hydrocarbon mixtures boiling below 260/sup 0/C, and for the most part above 130/sup 0/C according to the process described in the parent Specification. A fraction boiling from 140/sup 0/ to 250/sup 0/ C, which has been distilled off from the liquefaction product obtained by the destructive hydrogenation of coal soaked with ferrous sulphate, is passed at 485/sup 0/C under a partial pressure of 1.5 atmos. and a hydrogen pressure of 50 atmos. over a catalyst consisting of nickel and tungsten sulphides. The gasification is only 2 to 5 percent and from the reaction product a fraction of the same boiling range as the initial material is distilled off with a yield of 85 percent and an octane number of 97.

Two-stage catalytic up-grading of vacuum residue of a Wandoan coal liquid. [Vacuum residue of coal liquid

Energy Technology Data Exchange (ETDEWEB)

Mochida, I.; Sakanishi, K.; Korai, Y.; Fujitsu, H.

1986-08-01

A successive two-stage hydrotreatment using a commercial Ni-Mo/Al/sub 2/O/sub 3/ catalyst (HDN-30) was applied to the vacuum residue of a Wandoan coal liquid to achieve high levels of hydrocracking, hydrodenitrogenation and hydrodeoxygenation. Two-stage hydrotreatment in 1-methylnaphthalene containing 20wt% fluoranthene as a solvent at solvent/coal liquid ratio of unity removed 83% (overall) of nitrogen and 90% (overall) of oxygen in the asphaltene (benzene-soluble fraction) at 380/sup 0/C for 3 h and at 420/sup 0/C for 3h under hydrogen pressure of 15 MPa and 14 MPa, respectively, while the single stage treatment at 420/sup 0/C for 3 h removed only 41% and 46%, respectively. The same two-stage treatment allowed the overall denitrogenation of 51% and the overall deoxygenation of 67% from a mixture of asphaltene and preasphaltene (THF-soluble fraction). Addition of the catalyst prior to the second stage reaction increased the removal of nitrogen and oxygen to 75 and 82%, respectively, indicating significant catalyst deactivation by the preasphaltene fraction in the first stage. Increasing the solvent/coal liquid ratio to 2 or addition of tetrahydrofluoranthene as a component of the solvent increased the removal of nitrogen and oxygen to 70 and 80%, respectively. Such two-stage hydrotreatment was also effective in refining the whole residue, allowing denitrogenations and deoxygenations of 68 and 75% respectively using tetrahydrofluoranthene. The coke, unreacted coal and minerals in the residue may not cause acute catalyst deactivation. High dissolving ability of the reaction solvents is very effective to decrease catalyst deactivation by carbon deposition. The successive two-stage hydrotreatment also enhanced hydrocracking of polar and resin fractions in the residue into oils (conversion, 65%). (Abstract Truncated)

Sorption Enhanced Reaction Process (SERP) for production of hydrogen

Energy Technology Data Exchange (ETDEWEB)

Anand, M.; Hufton, J.; Mayorga, S. [Air Products and Chemicals, Inc., Allentown, PA (United States)] [and others

1996-10-01

Sorption Enhanced Reaction Process (SERP) is a novel process that is being developed for the production of lower cost hydrogen by steam-methane reforming (SMR). In this process the reaction of methane with steam is carried out in the presence of an admixture of a catalyst and a selective adsorbent for carbon dioxide. The key consequences of SERP are: (i) reformation reaction is carried out at a significantly lower temperature (300-500{degrees}C) than that in a conventional SMR reactor (800-1100{degrees}C), while achieving the same conversion of methane to hydrogen, (ii) the product hydrogen is obtained at reactor pressure (200-400 psig) and at 98+% purity directly from the reactor (compared to only 70-75% H{sub 2} from conventional SMR reactor), (iii) downstream hydrogen purification step is either eliminated or significantly reduced in size. The first phase of the program has focused on the development of a sorbent for CO{sub 2} which has (a) reversible CO{sub 2} capacity >0.3 mmol/g at low partial pressures of CO{sub 2} (0.1 - 1.0 atm) in the presence of excess steam (pH{sub 2}O/pCO{sub 2}>20) at 400-500{degrees}C and (b) fast sorption-desorption kinetics for CO{sub 2}, at 400-500{degrees}C. Several families of supported sorbents have been identified that meet the target CO{sub 2} capacity. A few of these sorbents have been tested under repeated sorption/desorption cycles and extended exposure to high pressure steam at 400-500{degrees}C. One sorbent has been scaled up to larger quantities (2-3 kg) and tested in the laboratory process equipment for sorption and desorption kinetics of CO{sub 2}. The CO{sub 2}, sorption and desorption kinetics are desirably fast. This was a critical path item for the first phase of the program and now has been successfully demonstrated. A reactor has been designed that will allow nearly isothermal operation for SERP-SMR. This reactor was integrated into an overall process flow diagram for the SERP-SMR process.

Research of Hydrogen Preparation with Catalytic Steam-Carbon Reaction Driven by Photo-Thermochemistry Process

Directory of Open Access Journals (Sweden)

Xiaoqing Zhang

2013-01-01

Full Text Available An experiment of hydrogen preparation from steam-carbon reaction catalyzed by K2CO3 was carried out at 700°C, which was driven by the solar reaction system simulated with Xenon lamp. It can be found that the rate of reaction with catalyst is 10 times more than that without catalyst. However, for the catalytic reaction, there is no obvious change for the rate of hydrogen generation with catalyst content range from 10% to 20%. Besides, the conversion efficiency of solar energy to chemical energy is more than 13.1% over that by photovoltaic-electrolysis route. An analysis to the mechanism of catalytic steam-carbon reaction with K2CO3 is given, and an explanation to the nonbalanced [H2]/[CO + 2CO2] is presented, which is a phenomenon usually observed in experiment.

Report for fiscal 1995 by Coal Gasification Committee; 1995 nendo sekitan gas ka iinkai hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1996-03-01

This is a summary primarily of the distributed material. As of December 14, 1995, the 200t/d pilot plant for power generation by entrained bed coal gasification records a total coal gasification operation time of 4,485 hours with an accumulated amount of power generation of 9,227MWh. A large combustor is tested, and it is found that combustion is stable under a 1/4 load with low NOx emissions. The combustor is sufficiently cooled with a small supply of air. Coal ash and coal, supplied in a constant state for an improved heat recovery efficiency in the development of hydrogen-from-coal technology, are heated to a temperature near their melting points. They are then allowed to impinge at a heat transfer plane simulating a gasifier heat recovery section, and a study is made of the mechanism of ash adhesion, molten or semi-molten, to the heat recovery section. The reduction of the heat transfer coefficient due to added grains is 30-50%, and the reduction is small when the heat transfer pipe surface velocity is high or when the carbon concentration in the grains is high. In another effort, utilization of coal-derived gas as town gas is studied. As for yields as indicated by the Curie gas pyrolyzer, the gas yield increases and liquid yield decreases when the reaction temperature is high. Using a small test unit, it is found that a rise in the hydrogen partial pressure increases the production of both gas and liquid. (NEDO)

Bimetallic promotion of cooperative hydrogen transfer and heteroatom removal in coal liquefaction. Final technical report, September 1, 1988--December 31, 1991

Energy Technology Data Exchange (ETDEWEB)

Eisch, J.J.

1992-04-07

The ultimate objective of this research has been to uncover novel reagents and experimental conditions for heteroatom removal and hydrogen transfer processes, which would be applicable to the liquefaction of coal under low-severity conditions. To this end, one phase of this research has investigated the cleavage of carbon-heteroatom bonds involving sulfur, oxygen, nitrogen and halogen by subvalent transition-metal complexes. A second phase of the study has assessed the capability of the same transition-metal complexes or of organoaluminum Lewis acids to catalyze the cleavage of carbon-hydrogen bonds in aromatics and hence to promote hydrogen shuttling. Finally, a third phase of our work has uncovered a remarkable synergistic effect of combinations of transition metals with organoaluminum Lewis acids on hydrogen shuttling between aromatics and hydroaromatics. (VC)

Estimation of water-coal surface interaction during heat treatment of coal by use of FTir and DSC; FTir to DSC wo mochiita sekitan-mizu kan sogo sayo no teiryoteki hyoka

Energy Technology Data Exchange (ETDEWEB)

Miura, K.; Mae, K.; Morozumi, F.; Kusakawa, T. [Kyoto University, Kyoto (Japan)

1997-10-30

The authors have recently presented a method to estimate the strength distribution of hydrogen bondings in coal using FTir and DSC. The method was applied to estimate the strength of coal-water interaction in two different coals and to estimate the enthalpy change deriving from the change in hydrogen bondings during the desorption of water. The estimated enthalpy change was compared with the total enthalpy change estimated by DSC measurement to examine the importance of hydrogen bondings during the desertion of water. 1 ref., 6 figs.

Two-dimensional boron: Lightest catalyst for hydrogen and oxygen evolution reaction

Energy Technology Data Exchange (ETDEWEB)

Mir, Showkat H. [Centre for Nano Science, Central University of Gujarat, Gandhinagar 382030 (India); Chakraborty, Sudip, E-mail: sudiphys@gmail.com, E-mail: prakash.jha@cug.ac.in; Wärnå, John [Condensed Matter Theory Group, Department of Physics and Astronomy, Uppsala University, Uppsala 75120 (Sweden); Jha, Prakash C., E-mail: sudiphys@gmail.com, E-mail: prakash.jha@cug.ac.in [School of Applied Material Sciences, Central University of Gujarat, Gandhinagar 382030 (India); Soni, Himadri [Lehrstuhl für Theoretische Chemie, Friedrich-Alexander Universität Erlangen-Nürnberg, Egerlandstraße 3, 91058 Erlangen (Germany); Jha, Prafulla K. [Department of Physics, Faculty of Science, The Maharaja Sayajirao University of Baroda, Vadodara 390 002 (India); Ahuja, Rajeev [Condensed Matter Theory Group, Department of Physics and Astronomy, Uppsala University, Uppsala 75120 (Sweden); Department of Materials and Engineering, Royal Institute of Technology (KTH), 10044 Stockholm (Sweden)

2016-08-01

The hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) have been envisaged on a two-dimensional (2D) boron sheet through electronic structure calculations based on a density functional theory framework. To date, boron sheets are the lightest 2D material and, therefore, exploring the catalytic activity of such a monolayer system would be quite intuitive both from fundamental and application perspectives. We have functionalized the boron sheet (BS) with different elemental dopants like carbon, nitrogen, phosphorous, sulphur, and lithium and determined the adsorption energy for each case while hydrogen and oxygen are on top of the doping site of the boron sheet. The free energy calculated from the individual adsorption energy for each functionalized BS subsequently guides us to predict which case of functionalization serves better for the HER or the OER.

Dechlorination of chloropicrin and 1,3-dichloropropene by hydrogen sulfide species: redox and nucleophilic substitution reactions.

Science.gov (United States)

Zheng, Wei; Yates, Scott R; Papiernik, Sharon K; Guo, Mingxin; Gan, Jianying

2006-03-22

The chlorinated fumigants chloropicrin (trichloronitromethane) and 1,3-dichloropropene (1,3-D) are extensively used in agricultural production for the control of soilborne pests. The reaction of these two fumigants with hydrogen sulfide species (H2S and HS-) was examined in well-defined anoxic aqueous solutions. Chloropicrin underwent an extremely rapid redox reaction in the hydrogen sulfide solution. Transformation products indicated reductive dechlorination of chloropicrin by hydrogen sulfide species to produce dichloro- and chloronitromethane. The transformation of chloropicrin in hydrogen sulfide solution significantly increased with increasing pH, indicating that H2S is less reactive toward chloropicrin than HS- is. For both 1,3-D isomers, kinetics and transformation products analysis revealed that the reaction between 1,3-D and hydrogen sulfide species is an S(N)2 nucleophilic substitution process, in which the chlorine at C3 of 1,3-D is substituted by the sulfur nucleophile to form corresponding mercaptans. The 50% disappearance time (DT50) of 1,3-D decreased with increasing hydrogen sulfide species concentration at a constant pH. Transformation of 1,3-D was more rapid at high pH, suggesting that the reactivity of hydrogen sulfide species in the experimental system stems primarily from HS-. Because of the relatively low smell threshold values and potential environmental persistence of organic sulfur products yielded by the reaction of 1,3-D and HS-, the effects of reduced sulfide species should be considered in the development of alternative fumigation practices, especially in the integrated application of sulfur-containing fertilizers.

Summary of FY 1980 results of Sunshine Project. Development of coal liquefaction techniques; 1980 nendo sekitan ekika gijutsu no kaihatsu seika hokokusho. Sunshine keikaku itaku kenkyu kaihatsu

Energy Technology Data Exchange (ETDEWEB)

NONE

1981-03-01

This report summarizes the results of the 3 R and D themes for coal liquefaction techniques, pursued by the Sunshine Project; (1) development of solvent extraction type liquefaction plant, and brown coal liquefaction technique R and D demonstration surveys, (2) development of solvolysis type liquefaction plant, and (3) development of direct hydrogenation type liquefaction plant. For the theme (1), the 1 T/D test plant, solid/liquid separator and small-size continuous settlement separator are constructed, and partly completed. The elementary studies include solvent extraction type liquefaction process, materials for coal liquefaction plant and solid/liquid separation. Australia's Victoria brown coal and Chinese coal are studied to clarify the possible problems involved in liquefaction of these coal species for commercialization of the liquefaction techniques in the early stage. The elementary techniques studied include dehydration of brown coal, milling at high temperature in oil, de-ashing, and secondary and primary hydrogenation. For the theme (2), the 1 T/D plant is inspected and maintained to clarify the problems involved in the continuous operation, revamped and repaired as necessary, given preventive maintenance, and tested for operability confirmation. The elementary studies include solvolysis type liquefaction process, scale-up, hydrogenation plant for solvolysis pitch. For the item (3), the 2.4 T/D test plant is constructed, and the elementary studies are conducted, for, e.g., liquefaction reactions in the presence of an iron-based catalyst. (NEDO)

Summary of FY 1980 results of Sunshine Project. Development of coal liquefaction techniques; 1980 nendo sekitan ekika gijutsu no kaihatsu seika hokokusho. Sunshine keikaku itaku kenkyu kaihatsu

Energy Technology Data Exchange (ETDEWEB)

NONE

1981-03-01

This report summarizes the results of the 3 R and D themes for coal liquefaction techniques, pursued by the Sunshine Project; (1) development of solvent extraction type liquefaction plant, and brown coal liquefaction technique R and D demonstration surveys, (2) development of solvolysis type liquefaction plant, and (3) development of direct hydrogenation type liquefaction plant. For the theme (1), the 1 T/D test plant, solid/liquid separator and small-size continuous settlement separator are constructed, and partly completed. The elementary studies include solvent extraction type liquefaction process, materials for coal liquefaction plant and solid/liquid separation. Australia's Victoria brown coal and Chinese coal are studied to clarify the possible problems involved in liquefaction of these coal species for commercialization of the liquefaction techniques in the early stage. The elementary techniques studied include dehydration of brown coal, milling at high temperature in oil, de-ashing, and secondary and primary hydrogenation. For the theme (2), the 1 T/D plant is inspected and maintained to clarify the problems involved in the continuous operation, revamped and repaired as necessary, given preventive maintenance, and tested for operability confirmation. The elementary studies include solvolysis type liquefaction process, scale-up, hydrogenation plant for solvolysis pitch. For the item (3), the 2.4 T/D test plant is constructed, and the elementary studies are conducted, for, e.g., liquefaction reactions in the presence of an iron-based catalyst. (NEDO)

C-13 isotopic studies of the surface catalysed reactions of methane

International Nuclear Information System (INIS)

Long, M.A.; He, S.J.X.; Adebajo, M.

1997-01-01

The ability of methane to methylate aromatic compounds, which are considered to be models for coal, is being studied. Related to this reaction, but at higher temperatures, is the direct formation of benzene from methane in the presence of these catalysts. Controversy exists in the literature on the former reaction, and 13 C isotope studies are being used to resolve the question. The interest in this reaction arises because the utilisation of methane, in the form of natural gas, in place of hydrogen for direct coal liquefaction would have major economic advantage. For this reason Isotope studies in this area have contributed significantly to an understanding of the methylation reactions. The paper describes experiments utilising methane 13 C, which show that methylation of aromatics such as naphthalene by the methane 13 C is catalysed by microporous, Cu-exchanged SAPO-5, at elevated pressures (6.8 MPa) and temperatures around 400 degree C. The mass spectrometric analysis and n.m.r. study of the isotopic composition of the products of the methylation reaction demonstrate unequivocally that methane provides the additional carbon atom for the methylated products. Thermodynamic calculations predict that the reaction is favourable at high methane pressures under these experimental conditions. The mechanism as suggested by the isotope study is discussed. The catalysts which show activity for the activation of methane for direct methylation of organic compounds, such as naphthalene, toluene, phenol and pyrene, are substituted aluminophosphate molecular sieves, EIAPO-5 (where El=Pb, Cu, Ni and Si) and a number of metal substituted zeolites. Our earlier tritium studies had shown that these catalysts will activate alkanes, at least as far as isotope hydrogen exchange reactions are concerned

Role of non-ferrous coal minerals and by-product metallic wastes in coal liquefaction. Technical progress report, September 1, 1980-November 30, 1980

Energy Technology Data Exchange (ETDEWEB)

Garg, D.; Givens, E.N.; Schweighardt, F.K.; Curtis, C.W.; Guin, J.A.; Shridharani, K.; Huang, W.J.

1981-02-01

The effects of minerals and inexpensive ores or by-products (pyrites, red mud, flue dust, speculites, zinc sulfides, calcium oxide, dolomites, mica, molybdenite) in catalysing coal liquefaction or the hydrogenation of process solvents was studied with different cokes and solvents. Improved results were obtained in several cokes and th results are given in terms of oil fields, hydrogen consumption, desulfurization of SRC, etc. The addition of pyrite resulted in increased production of oils and increased conversion of coal; however, the effects varied from coal to coal. Dolomite, mica and molybdenite had insignificant catalytic activity. The reduction of pyrite, Fe/sub 2/O/sub 3/ and Fe/sub 3/O/sub 4/ at process conditions was studied. (LTN)

Report on the achievements in research and development of a coal liquefaction technology in the Sunshine Project in fiscal 1981. Development of a solvolysis liquefaction plant (development of a 1 t/d experimental plant and research on solvolysis liquefaction process); Sekitan ekika gijutsu no kenkyu kaihatsu, solvolysis ekika plant no kaihatsu seika hokokusho. 1t/nichi jikken plant no kaihatsu (solvolysis ekika process no kenkyu)

Energy Technology Data Exchange (ETDEWEB)

NONE

1982-03-01

This paper describes the achievements in the Sunshine Project in fiscal 1981 in development of a solvolysis liquefaction plant. The solvolysis process is characterized by performing the first stage reaction (liquefaction) in a short time by using hydrogenated heavy solvent produced spontaneously in the process. This short-time liquefaction reaction was carried out continuously by using a 1-t/d experimental plant, and a prospect was obtained on smooth operation and realization of the device. A test using a testing device allowing the temperature to rise within several minutes was performed on the effectiveness of a hydrogenated coal based heavy solvent (fractions of a hydrogenated heavy anthracene as a model) as a study on the first stage reaction. Partially hydrogenated materials of polycyclic condensed aromatics in the heavy solvent is largely involved in the initial reaction. In the solid-liquid separation, solids and heavy fractions are selected and removed from the first stage reaction products, and the light fraction is supplied into the second stage reaction (hydrogenation). The solvent deliming process was tested by using a batch type solid-liquid separator, whose effectiveness was verified. Studies were performed by using Australian sub-bituminous coal on operation of a continuous operation device consisted of systems for the first stage reaction (liquefaction), solid-liquid separation, second stage reaction (hydrogenation), and solvent circulation. (NEDO)

Achievement report for fiscal 1981 on research under Sunshine Program. Basic research on plasma-aided coal gasification technology; 1981 nendo sushine keikaku kenkyu seika hokokusho. Sekitan no plasma gas ka gijutsu no kiso kenkyu

Energy Technology Data Exchange (ETDEWEB)

NONE

1982-03-01

Researches are conducted for the development of a technology of producing useful gases such as acetylene, hydrogen, carbon monoxide, etc., from coal by the use of the high temperature and high-density energy of the plasma jet. In an experiment using a 100kW 3-port plasma-aided gasification unit, rapid quenching tests are conducted using hydrogen and helium, where the reaction furnace is changed, the specimen feed device is changed, and the plasma torch head is replaced by a high-power head. In a test of the coal specimen, it is found that rapid quenching exerts a great effect on the prevention of re-decomposition of the generated acetylene into hydrogen and carbon black and that a rise in the hydrogen partial pressure results in a great decrease in the quantity of acetylene generated. The said torch head replacement increases the rate of the coal specimen infiltrating into the plasma flame, which brings about an increase in the quantity of acetylene generated. It is found after all that the conventional acetylene yield of 34g/kWh increases to 59g/kWh in a rapid quenching test in which the specimen is dried Akabira coal and the plasma is an argon gas plasma containing 40% hydrogen. (NEDO)

Characterisation of hydrocarbonaceous overlayers important in metal-catalysed selective hydrogenation reactions

Energy Technology Data Exchange (ETDEWEB)

Lennon, David; Warringham, Robbie [School of Chemistry, Joseph Black Building, University of Glasgow, Glasgow G12 8QQ (United Kingdom); Guidi, Tatiana [ISIS Facility, STFC Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX (United Kingdom); Parker, Stewart F., E-mail: stewart.parker@stfc.ac.uk [ISIS Facility, STFC Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX (United Kingdom)

2013-12-12

Highlights: • Inelastic neutron scattering spectroscopy of a commercial dehydrogenation catalyst. • The overlayer present on the catalyst is predominantly aliphatic. • A population of strongly hydrogen bonded hydroxyls is also present. - Abstract: The hydrogenation of alkynes to alkenes over supported metal catalysts is an important industrial process and it has been shown that hydrocarbonaceous overlayers are important in controlling selectivity profiles of metal-catalysed hydrogenation reactions. As a model system, we have selected propyne hydrogenation over a commercial Pd(5%)/Al{sub 2}O{sub 3} catalyst. Inelastic neutron scattering studies show that the C–H stretching mode ranges from 2850 to 3063 cm{sup −1}, indicating the mostly aliphatic nature of the overlayer and this is supported by the quantification of the carbon and hydrogen on the surface. There is also a population of strongly hydrogen-bonded hydroxyls, their presence would indicate that the overlayer probably contains some oxygen functionality. There is little evidence for any olefinic or aromatic species. This is distinctly different from the hydrogen-poor overlayers that are deposited on Ni/Al{sub 2}O{sub 3} catalysts during methane reforming.

Molecular accessibility in solvent swelled coals. Final report

Energy Technology Data Exchange (ETDEWEB)

Kispert, L.D.

1994-04-01

The conversion of coal by an economically feasible catalytic method requires the catalyst to diffuse into the coal sample so that hydrogenation catalysis can occur from within as well as the normal surface catalysis. Thus an estimate of the size, shape, and reactivity, of the pores in the coal before and after the swelling with different solvents is needed so that an optimum sized catalyst will be used. This study characterizes the accessible area found in Argonne Premium Coal Samples (APCS) using a EPR spin probe technique. The properties deduced in this manner correlate well with the findings deduced from SANS, NMR, SEM, SAXS and light scattering measurements. The use of nitroxide spin probes with swelling solvents is a simple way in which to gain an understanding of the pore structure of coals, how it changes in the presence of swelling solvents and the chemistry that occurs at the pore wall. Hydrogen bonding sites occur primarily in low-rank coals and vary in reactive strength as rank is varied. Unswelled coals contain small, spherical pores which disappear when coal is swelled in the presence of polar solvents. Swelling studies of polystyrene-divinyl benzene copolymers implied that coal is polymeric, contains significant quantities of covalent cross-links and the covalent cross-link density increases with rank.

Decomposition of pyrite and the interaction of pyrite with coal organic matrix in pyrolysis and hydropyrolysis

Energy Technology Data Exchange (ETDEWEB)

Chen, H.; Li, B.; Zhang, B. [Chinese Academy of Sciences, Taiyuan (China). State Key Lab. of Coal Conversion, Inst. of Coal Chemistry

2000-10-01

The thermal behaviour of pure pyrite was studied under nitrogen and hydrogen atmospheres in a pressurized thermal balance. The transfer of pyrite in coal during pyrolysis and hydropyrolysis was investigated in a fixed-bed reactor. The results suggest that the indigenous hydro-carbon with hydrogen donor ability in coal can promote the reduction of pyrite in pyrolysis. At low temperatures, organic sulfur removal is almost the same in pyrolysis and hydropyrolysis of two coals. It is likely that indigenous hydrogen in coal is the dominant factor in organic sulfur elimination in the low-temperature stage. An increase of organic sulfur in pyrolysis of Hongmiao coal indicates that the lack of the indigenous hydrogen may be the key factor determining the transformation of pyritic sulfur into organic sulfur. Oxygen affects the conversion of pyrite into organic sulfur through the competitive consumption of hydrogen. 12 refs., 5 figs., 1 tab.

Scrubbing King Coal's dirty face : a new gasification project southeast of Edmonton hopes to make coal cleaner now and for future generations

Energy Technology Data Exchange (ETDEWEB)

Collison, M.

2008-01-15

This article described the proposed Dodds-Roundhill Coal Gasification Project. This first commercial coal gasification plant in Canada will be developed by Edmonton-based Sherritt International Corporation, in a 50/50 partnership with the Ontario Teachers' Pension Plan. The project will include a surface coal mine and a coal gasification facility located approximately 80 km southeast of Edmonton, Alberta. Coal gasification is emerging as a clean alternative for converting coal into energy products. It involves the gasification process which breaks down coal to produce hydrogen, carbon monoxide and carbon dioxide, collectively known as synthesis gas (syngas). The syngas can then be used for fuel, as a petrochemical feedstock, or it can be further processed into hydrogen for use by bitumen upgraders and crude oil refineries in Alberta. Carbon dioxide, which is highly concentrated are relatively easy to capture will be either sequestered or used in enhanced oil recovery. Construction will begin in mid-2009 following project application and an environmental impact assessment. 3 figs.

Report on results of R and D of coal liquefaction technology in fiscal 1981; 1981 nendo sekitan ekika gijutsu no kenkyu kaihatsu seika setsumeisho

Energy Technology Data Exchange (ETDEWEB)

NONE

1982-03-01

This paper explains the results of development of coal liquefaction technology under the Sunshine Project in fiscal 1981. In connection with solvent extraction and liquefaction, an 1 t/day experimental plant was completed for bituminous coals and operated continuously for 153 hours. An examination also started for the development of a 250 t/day pilot plant. As the element studies, R and D is in progress on the solvent extraction and liquefaction process, solid-liquid separation, secondary hydrogenation, and plant materials. In brown coals, the construction work of a 50 t/day pilot plant started for the purpose of establishing liquefaction technology for brown coal in Victoria State, Australia, with a part of the equipment manufactured. As the element studies, research was conducted on primary hydrogenation, deliming, secondary hydrogenation, dehydration and catalysts. In solvolysis liquefaction, a short-time concluding liquefaction reaction was continuously performed by a plant of 1 t/day scale. In direct hydro-liquefaction, a 2.4 t/day experimental plant was constructed, with the element studies conducted successively. In other words, researches were carried out by the bench scale plant on liquefaction, solid-liquid separation, iron-based catalysts, catalyst and reutilization, motive force recovery system by hydrohoist, and effect of preheating and deaeration. (NEDO)

Induction of interleukin-6 by coal containing bioavailable iron is ...

Indian Academy of Sciences (India)

Unknown

Coal mining causes health problems, such as pneumoconiosis. We have ... levels. The enhancing effect on the IL-6 by the PA coal was similar to that caused by hydrogen peroxide. ..... stress: possible implications in coal workers' lung disease;.

Reactions of butadiyne. 1: The reaction with hydrogen atoms

Science.gov (United States)

Schwanebeck, W.; Warnatz, J.

1984-01-01

The reaction of hydrogen (H) atoms with butadiene (C4H2) was studied at room temperature in a pressure range between w mbar and 10 mbar. The primary step was an addition of H to C4H2 which is in its high pressure range at p 1 mbar. Under these conditions the following addition of a second H atom lies in the transition region between low and high pressure range. Vibrationally excited C4H4 can be deactivated to form buten-(1)-yne-(3)(C4H4) or decomposes into two C2H2 molecules. The rate constant at room temperature for primary step is given. The second order rate constant for the consumption of buten-(1)-yne-(3) is an H atom excess at room temperature is given.

Effects of lithium iodide doping on devolatilization characteristics of brown coals; Yoka lithium no tenka ga kattan no kanetsu henka katei ni oyobosu eikyo

Energy Technology Data Exchange (ETDEWEB)

Muraoka, J.; Kumagai, H.; Hayashi, J.; Chiba, T. [Hokkaido University, Sapporo (Japan)

1996-10-28

In order to discuss effects of lithium iodide (LiI) doping on condensation structure of brown coals during heating, spectral changes were measured by using an in-situ FT-IR. It was found that the LiI doping accelerates weight reduction due to heating, and the doping effect is affected by coal structure. Both of Loy Yang (LY) coal and its LiI doped coal (DLY) had absorption intensity of the FT-IR spectra decreased with rising temperature, and the absorption center belonging to an OH group shows different shifts between the LY and DLY coals. This indicates that the LiI doping has affected the change in hydrogen bonding patterns associated with heating. Both of South Banko (SB) and LY coals had the absorption spectral intensity in the OH group decreased as the weight reduction (conversion) rate increased. Reduction in the OH groups associated with heating is caused by volatilization and condensation reaction in light-gravity fraction. However, in the case of equal conversion rate, the LiI doped coal shows higher spectral intensity than the original coal, with the LiI doping suppressing reduction in the OH groups. It appears that the doping suppresses the condensation reaction between the OH groups. 2 refs., 6 figs., 1 tab.

Destructive hydrogenation. [British patent

Energy Technology Data Exchange (ETDEWEB)

1929-07-15

Liquid or readily liquefiable products are obtained from solid distillable carbonaceous materials such as coals, oil shales or other bituminous substances by subjecting the said initial materials to destructive hydrogenation under mild conditions so that the formation of benzine is substantially avoided, and then subjecting the treated material to extraction by solvents. By hydrogenating under mild conditions the heavy oils which prevent the asphaltic substances from being precipitated are preserved, and the separation of the liquid products from the solid residue is facilitated. Solid paraffins and high boiling point constituents suitable for the production of lubricating oils may be removed before or after the extraction process. The extraction is preferably carried out under pressure with solvents which do not precipitate asphaltic substances. Brown coal containing 11 per cent ash is passed at 450/sup 0/C, and 200 atmospheres pressure in counter current to hydrogen; 40 per cent of the coal is converted into liquid products which are condensed out of the hydrogen stream; the pasty residue, on extraction with benzene, yields 45 per cent of high molecular weight products suitable for the production of lubricating oil.

Hydrogen evolution reaction on electrodes with different PT/C loadings by electrochemical impedance spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Ortega-Chavez, L. [Inst. Tecnologico de Chihuahua 2, Chihuahua, Chih (Mexico); Ortega-Chavez, L.; Herrera-Peraza, E. [Centro de Investigacion en Materiales Avanzados, Chiuahua, Chih (Mexico); Verde, Y. [Inst. Tecnologico de Cancun, Cancun, Quintana Roo (Mexico)

2008-04-15

One of the most widely studied reactions in electrochemistry is the hydrogen evolution reaction (HER). HER is important for the development of water hydrolysis and fuel cell technologies. Because hydrogen-substrate interaction determines oxygen reduction efficiency, an understanding of the chemical and electronic state of hydrogen adsorbed on the electrocatalyst surface is required. Electrochemical impedance spectroscopy (EIS) is a proven highly efficient technique for interface characterization and kinetic parameter determination for different reactions carried out on interfaces. This article presented a study that utilized EIS for characterizing electrodes under HER by implementing a rotating disc electrode with different carbon supported platinum nanoparticles loadings and different potentials in acidic solutions. The results collected by EIS were analyzed in terms of equivalent circuits to calculate different parameters which were compared by statistical analysis. The study also considered the Volmer, Heyrovsky and Tafel steps in the HER reaction as well as a single electro-absorbed intermediate species. The article discussed the experimental set-up with reference to measurements, simulation and fitting. Parameters analysis using ANOVA were reviewed. It was concluded that an increase in impedance occurs when platinum loading decreases in both high and low frequencies. 22 refs., 1 tab., 5 figs.

Synergistic production of hydrogen using fossil fuels and nuclear energy application of nuclear-heated membrane reformer

International Nuclear Information System (INIS)

Hori, M.; Matsui, K.; Tashimo, M.; Yasuda, I.

2004-01-01

Processes and technologies to produce hydrogen synergistically by the steam reforming reaction using fossil fuels and nuclear heat are reviewed. Formulas of chemical reactions, required heats for reactions, saving of fuel consumption or reduction of carbon dioxide emission, possible processes and other prospects are examined for such fossil fuels as natural gas, petroleum and coal. The 'membrane reformer' steam reforming with recirculation of reaction products in a closed loop configuration is considered to be the most advantageous among various synergistic hydrogen production methods. Typical merits of this method are: nuclear heat supply at medium temperature below 600 deg. C, compact plant size and membrane area for hydrogen production, efficient conversion of feed fuel, appreciable reduction of carbon dioxide emission, high purity hydrogen without any additional process, and ease of separating carbon dioxide for future sequestration requirements. With all these benefits, the synergistic production of hydrogen by membrane reformer using fossil fuels and nuclear energy can be an effective solution in this century for the world which has to use. fossil fuels any way to some extent while reducing carbon dioxide emission. For both the fossil fuels industry and the nuclear industry, which are under constraint of resource, environment and economy, this production method will be a viable symbiosis strategy for the coming hydrogen economy era. (author)

Sumpor u ugljenu (Sulphur in Coal

Directory of Open Access Journals (Sweden)

Rađenović, A.

2004-12-01

Full Text Available The presence of sulphur in coal possesses important environmetal problems in its usage. The sulphur dioxide (S02 emissions produced during coal combustion account for a significant proportion of the total global output of anthropogenic SO2. The extent of sulphur separation depends on several variables such as the form of sulphur in coal, intimacy of contact between minerals and the products of devolatilization. The total sulphur in coal varies in the range of 0.2 - 11 wt %, although in most cases it is beetwen 1 and 3 wt %. Sulphur occurs in a variety of both inorganic and organic forms. Inorganic sulphur is found mainly as iron pyrite, marcasite, pyrrhotite, sphalerite, galena, chalcopirite and as sulphates (rarely exceeds w = 0,1 %. Organic sulphur is found in aromatic rings and aliphatic functionalities usually as mercaptans, aliphatic and aryl sulfides, disulfides and thiophenes. Organic and pyritic sulphur quantities depend on coal rank. Higher rank coals tend to have a high proportion of labile sulphur. All the organic sulphur is bivalent and it is spread throughout the organic coal matrix. Sulphur occurs in all the macerals and most minerals. Vitrinite contains the major part of organic sulphur and metals. Elemental sulphur is produced during coal weathering. The depolymerization methods as pyrolysis and hydrogenation are very drastic methods wich change the structure of the coal and the sulphur groups. In the case of pyrolysis, high levels of desulphurization, in chars and additional production of liquid hydrocarbon can be achieved. Thiophenes and sulphides were the major sulphur components of tars from coal pyrolysis. Hyrdogen sulphide and the lower mercaptans and sulphides were found in the volatile matters. Hydrogen sulphide and thiophenes are practically the only sulphur products of coal hydrogenation. H2S is produced in char hydrodesulphurization. A number of options are available for reducing sulphur emissions including the

Efficient direct coal liquefaction of a premium brown coal catalyzed by cobalt-promoted fumed oxides

Energy Technology Data Exchange (ETDEWEB)

Trautmann, M.; Loewe, A.; Traa, Y. [Stuttgart Univ. (Germany). Inst. of Chemical Technology

2013-11-01

The search for alternatives in the fuel sector is an important technological challenge. An interim solution could be provided by direct coal liquefaction. Hydrogen economy and the lack of an efficient catalyst are the main obstacles for this process. We used a premium German brown coal with a high H/C molar ratio of 1.25 and nanostructured cobalt catalysts to improve the efficiency of direct coal liquefaction. We were able to recover and recycle the catalyst efficiently and reached good brown coal conversions and oil yields with single-stage coal liquefaction. The oil quality observed almost reached that of a conventional crude oil considering higher heating value (HHV), H/C molar ratio and aliphatic content. (orig.)

Mitigation of Hydrogen Gas Generation from the Reaction of Water with Uranium Metal in K Basins Sludge

International Nuclear Information System (INIS)

Sinkov, Sergey I.; Delegard, Calvin H.; Schmidt, Andrew J.

2010-01-01

Means to decrease the rate of hydrogen gas generation from the chemical reaction of uranium metal with water were identified by surveying the technical literature. The underlying chemistry and potential side reactions were explored by conducting 61 principal experiments. Several methods achieved significant hydrogen gas generation rate mitigation. Gas-generating side reactions from interactions of organics or sludge constituents with mitigating agents were observed. Further testing is recommended to develop deeper knowledge of the underlying chemistry and to advance the technology aturation level. Uranium metal reacts with water in K Basin sludge to form uranium hydride (UH3), uranium dioxide or uraninite (UO2), and diatomic hydrogen (H2). Mechanistic studies show that hydrogen radicals (H·) and UH3 serve as intermediates in the reaction of uranium metal with water to produce H2 and UO2. Because H2 is flammable, its release into the gas phase above K Basin sludge during sludge storage, processing, immobilization, shipment, and disposal is a concern to the safety of those operations. Findings from the technical literature and from experimental investigations with simple chemical systems (including uranium metal in water), in the presence of individual sludge simulant components, with complete sludge simulants, and with actual K Basin sludge are presented in this report. Based on the literature review and intermediate lab test results, sodium nitrate, sodium nitrite, Nochar Acid Bond N960, disodium hydrogen phosphate, and hexavalent uranium [U(VI)] were tested for their effects in decreasing the rate of hydrogen generation from the reaction of uranium metal with water. Nitrate and nitrite each were effective, decreasing hydrogen generation rates in actual sludge by factors of about 100 to 1000 when used at 0.5 molar (M) concentrations. Higher attenuation factors were achieved in tests with aqueous solutions alone. Nochar N960, a water sorbent, decreased hydrogen

Mitigation of Hydrogen Gas Generation from the Reaction of Water with Uranium Metal in K Basins Sludge

Energy Technology Data Exchange (ETDEWEB)

Sinkov, Sergey I.; Delegard, Calvin H.; Schmidt, Andrew J.

2010-01-29

Means to decrease the rate of hydrogen gas generation from the chemical reaction of uranium metal with water were identified by surveying the technical literature. The underlying chemistry and potential side reactions were explored by conducting 61 principal experiments. Several methods achieved significant hydrogen gas generation rate mitigation. Gas-generating side reactions from interactions of organics or sludge constituents with mitigating agents were observed. Further testing is recommended to develop deeper knowledge of the underlying chemistry and to advance the technology aturation level. Uranium metal reacts with water in K Basin sludge to form uranium hydride (UH3), uranium dioxide or uraninite (UO2), and diatomic hydrogen (H2). Mechanistic studies show that hydrogen radicals (H·) and UH3 serve as intermediates in the reaction of uranium metal with water to produce H2 and UO2. Because H2 is flammable, its release into the gas phase above K Basin sludge during sludge storage, processing, immobilization, shipment, and disposal is a concern to the safety of those operations. Findings from the technical literature and from experimental investigations with simple chemical systems (including uranium metal in water), in the presence of individual sludge simulant components, with complete sludge simulants, and with actual K Basin sludge are presented in this report. Based on the literature review and intermediate lab test results, sodium nitrate, sodium nitrite, Nochar Acid Bond N960, disodium hydrogen phosphate, and hexavalent uranium [U(VI)] were tested for their effects in decreasing the rate of hydrogen generation from the reaction of uranium metal with water. Nitrate and nitrite each were effective, decreasing hydrogen generation rates in actual sludge by factors of about 100 to 1000 when used at 0.5 molar (M) concentrations. Higher attenuation factors were achieved in tests with aqueous solutions alone. Nochar N960, a water sorbent, decreased hydrogen

Agglomeration and reaction characteristics of various coal chars in fluidized-bed coal gasifier; Ryudoso sekitan gas ka ronai deno sekitan no gyoshu tokusei to hanno tokusei

Energy Technology Data Exchange (ETDEWEB)

Uemiya, S.; Aoki, K.; Mori, S.; Kojima, T. [Seikei University, Tokyo (Japan). Faculty of Engineering

1996-10-28

With relation to the coals delivered as common samples in the coal fundamental technology development project, an experimental study was conducted on agglomeration characteristics and reaction characteristics in the fluidized-bed coal gasifier. For the experiment, used was a fluidized bed gasifier inserted with a cone-shape dispersion plate with a nozzle in the center. After raising the temperature of the gasifier up to 773K, gasification was conducted sending to the gasifier air from the nozzle and steam from the dispersion plate. The mean particle diameter and gas concentration of chars were measured till the temperature reaches 1373K. As a result of the experiment, it was confirmed that the carbon conversion ratio increases with a decrease in coalification degree of the coal. Moreover, influence of the coal kind was markedly observed at the grid zone of the lower part of the bed, and it was clarified that the lower carbon content ratio the coal kind has, the faster the speed of CO formation and water gasification get. The agglomeration temperature of charcoal which is a product of the condensate is lower by as many as several hundred K than the point of softening, and it was considered to be necessary to study the relation with the temperature distribution in the bed. 3 refs., 3 figs., 1 tab.

Evaluation of a commercial packed bed flow hydrogenator for reaction screening, optimization, and synthesis

Directory of Open Access Journals (Sweden)

Marian C. Bryan

2011-08-01

Full Text Available The performance of the ThalesNano H-Cube®, a commercial packed bed flow hydrogenator, was evaluated in the context of small scale reaction screening and optimization. A model reaction, the reduction of styrene to ethylbenzene through a 10% Pd/C catalyst bed, was used to examine performance at various pressure settings, over sequential runs, and with commercial catalyst cartridges. In addition, the consistency of the hydrogen flow was indirectly measured by in-line UV spectroscopy. Finally, system contamination due to catalyst leaching, and the resolution of this issue, is described. The impact of these factors on the run-to-run reproducibility of the H-Cube® reactor for screening and reaction optimization is discussed.

Incident angle dependence of reactions between graphene and hydrogen atom by molecular dynamics simulation

International Nuclear Information System (INIS)

Saito, Seiki; Nakamura, Hiroaki; Ito, Atsushi

2010-01-01

Incident angle dependence of reactions between graphene and hydrogen atoms are obtained qualitatively by classical molecular dynamics simulation under the NVE condition with modified Brenner reactive empirical bond order (REBO) potential. Chemical reaction depends on two parameters, i.e., polar angle θ and azimuthal angle φ of the incident hydrogen. From the simulation results, it is found that the reaction rates strongly depend on polar angle θ. Reflection rate becomes larger with increasing θ, and the θ dependence of adsorption rate is also found. The θ dependence is caused by three dimensional structure of the small potential barrier which covers adsorption sites. φ dependence of penetration rate is also found for large θ. (author)

Reaction-transport simulations of non-oxidative methane conversion with continuous hydrogen removal: Homogeneous-heterogeneous methane reaction pathways

International Nuclear Information System (INIS)

Li, Lin; Borry, Richard W.; Iglesia, Enrique

2000-01-01

Detailed kinetic-transport models were used to explore thermodynamic and kinetic barriers in the non-oxidative conversion of CH4 via homogeneous and homogeneous-heterogeneous pathways and the effects of continuous hydrogen removal and of catalytic sites on attainable yields of useful C2-C10 products. The homogeneous kinetic model combines separately developed models for low-conversion pyrolysis and for chain growth to form large aromatics and carbon. The H2 formed in the reaction decreases CH4 pyrolysis rates and equilibrium conversions and it favors the formation of lighter products. The removal of H2 along tubular reactors with permeable walls increases reaction rates and equilibrium CH4 conversions. C2-C10 yields reach values greater than 90 percent at intermediate values of dimensionless transport rates (delta=1-10), defined as the ratio hydrogen transport and methane conversion rates. Homogeneous reactions require impractical residence times, even with H2 removal, because of slow initiation and chain transfer rates. The introduction of heterogeneous chain initiation pathways using surface sites that form methyl radicals eliminates the induction period without influencing the homogeneous product distribution. Methane conversion, however, occurs predominately in the chain transfer regime, within which individual transfer steps and the formation of C2 intermediates become limited by thermodynamic constraints. Catalytic sites alone cannot overcome these constraints. Catalytic membrane reactors with continuous H2 removal remove these thermodynamic obstacles and decrease the required residence time. Reaction rates become limited by homogeneous reactions of C2 products to form C6+ aromatics. Higher delta values lead to subsequent conversion of the desired C2-C10 products to larger polynuclear aromatics. We conclude that catalytic methane pyrolysis at the low temperatures required for restricted chain growth and the elimination of thermodynamics constraints via

Outline of research achievement of fiscal 1983. Development of coal liquefaction technologies; Sekitan ekika gijutsu kaihatsu. 1983 nendo kenkyu seika no gaiyo

Energy Technology Data Exchange (ETDEWEB)

NONE

1983-07-01

Reported are the results of (1) the development of bituminous coal liquefaction technology, (2) development of brown coal liquefaction technology, (3) experimental fabrication and development of plant equipment and materials therefor, and (4) a survey on coal type selection. The goals of the development are mentioned below. Under Item (1), an optimum liquefaction process and a solid/liquid separation process are to be defined, the effect of iron-based catalysts upon liquefaction reaction is to be elucidated, a technology for constructing a direct hydroliquefaction unit is to be established, and a plant using such a unit is to be developed. Under Item (2), an optimum liquefaction technology is to be established, high in economic efficiency and reliability, by subjecting Australia's Victoria brown coal to the direct liquefaction process. In particular, a new brown coal liquefaction technology is to be established, which will be an organic combination of a novel, raw brown coal slurry dehydration technology, a solvent deashing technology, and the secondary hydrogenation technology, all centering on the basic technology of primary hydrogenation. Under Item (3), reactor materials, accessory materials, slurry pumps, etc., are to be experimentally manufactured and developed further. Under Item (4), data are to be collected on coal resources, coal quality, liquefaction characteristics, etc., during the process of technology development for liquefaction, etc. Furthermore, methods are to be established for the effective utilization of liquefaction products and for their optimum refining. (NEDO)

Novel technique for coal pyrolysis and hydrogenation product analysis

Energy Technology Data Exchange (ETDEWEB)

Pfefferle, L.D.; Boyle, J.

1993-03-15

A microjet reactor coupled to a VUV photoionization time-of-flight mass spectrometer has been used to obtain species measurements during high temperature pyrolysis and oxidation of a wide range of hydrocarbon compounds ranging from allene and acetylene to cyclohexane, benzene and toluene. Initial work focused on calibration of the technique, optimization of ion collection and detection and characterization of limitations. Using the optimized technique with 118 nm photoionization, intermediate species profiles were obtained for analysis of the hydrocarbon pyrolysis and oxidation mechanisms. The soft'' ionization, yielding predominantly molecular ions, allowed the study of reaction pathways in these high temperature systems where both sampling and detection challenges are severe. Work has focused on the pyrolysis and oxidative pyrolysis of aliphatic and aromatic hydrocarbon mixtures representative of coal pyrolysis and hydropyrolysis products. The detailed mass spectra obtained during pyrolysis and oxidation of hydrocarbon mixtures is especially important because of the complex nature of the product mixture even at short residence times and low primary reactant conversions. The combustion community has advanced detailed modeling of pyrolysis and oxidation to the C4 hydrocarbon level but in general above that size uncertainties in rate constant and thermodynamic data do not allow us to a priori predict products from mixed hydrocarbon pyrolyses using a detailed chemistry model. For pyrolysis of mixtures of coal-derived liquid fractions with a large range of compound structures and molecular weights in the hundreds of amu the modeling challenge is severe. Lumped models are possible from stable product data.

Method to liquefy coal

Energy Technology Data Exchange (ETDEWEB)

Cronauer, D.C.; Kehl, W.L.

1977-06-08

In a method to liquify coal in the presence of hydrogen and hydrogen-transfer solvents, a hydrogenation catalyst is used in which an amorphous aluminium phosphate is taken as catalyst carrier. The particular advantage of aluminium phosphate catalyst carriers is their property of not loosing their mechanical strength even after manifold oxidizing regeneration (burning off the deposited carbon). The quantity of carbon deposited on the catalyst when using an aluminium phosphate carrier is considerably loss than with usual catalyst carriers.

Universal dependence of hydrogen oxidation and evolution reaction activity of platinum-group metals on pH and hydrogen binding energy.

Science.gov (United States)

Zheng, Jie; Sheng, Wenchao; Zhuang, Zhongbin; Xu, Bingjun; Yan, Yushan

2016-03-01

Understanding how pH affects the activity of hydrogen oxidation reaction (HOR) and hydrogen evolution reaction (HER) is key to developing active, stable, and affordable HOR/HER catalysts for hydroxide exchange membrane fuel cells and electrolyzers. A common linear correlation between hydrogen binding energy (HBE) and pH is observed for four supported platinum-group metal catalysts (Pt/C, Ir/C, Pd/C, and Rh/C) over a broad pH range (0 to 13), suggesting that the pH dependence of HBE is metal-independent. A universal correlation between exchange current density and HBE is also observed on the four metals, indicating that they may share the same elementary steps and rate-determining steps and that the HBE is the dominant descriptor for HOR/HER activities. The onset potential of CO stripping on the four metals decreases with pH, indicating a stronger OH adsorption, which provides evidence against the promoting effect of adsorbed OH on HOR/HER.

Kinetics of the hydrogen production reaction in a copper-chlorine water splitting plant

International Nuclear Information System (INIS)

Zamfirescu, C.; Naterer, G.F.; Dincer, I.

2009-01-01

The exothermic reaction of HCl with particulate Cu occurs during hydrogen production step in the thermochemical copper-chlorine (Cu-Cl) water splitting cycle. In this paper, this chemical reaction is modeled kinetically, and a parametric study is performed to determine the influences of particle size, temperature and molar ratios on the reaction kinetics. It is determined that the residence time of copper particles varies between 10 and 100 s, depending on the operating conditions. The hydrogen conversion at equilibrium varies between 55 and 85%, depending on the reaction temperature. The heat flux at the particle surface, caused by the exothermic enthalpy of reaction, reaches about 3,000 W/m 2 when the particle shrinks to 0.1% from its initial size. A numerical algorithm is developed to solve the moving boundary Stefan problem with a chemical reaction. It predicts the shrinking of copper particles based on the hypothesis that the chemical reaction and heat transfer are decoupled. The model allows for estimation of the temperature of the copper particle, assumed spherical, in the radial direction. The maximum temperature at the interface is higher than the melting point of CuCl by 10-50 o C, depending on the assumed operating conditions. (author)

Filtration and Hydrogen Reaction Modeling in a Depleted Uranium Bed

Energy Technology Data Exchange (ETDEWEB)

Jung, Kwang Jin; Kim, Yean Jin; Ahn, Do Hee; Chung, Hong Suk [UST, Daejeon (Korea, Republic of); Kang, Hee Seok [KAERI, Daejeon (Korea, Republic of); Yun, Sei Hun [NFRI, Daejeon (Korea, Republic of)

2016-05-15

The storage and delivery system (SDS) stores the hydrogen isotopes and delivers them to the fuel injection system. Depleted uranium (DU) was chosen as a hydrogen isotope storage material. The hydrogen isotopes stored in the SDS are in the form of DU hydride confined in the primary and secondary containment within a glove box with an argon atmosphere. In this study, we performed a modeling study of the SDS. A modeling study is practically important because an experimental study requires comparatively more money and time. We estimated the hydrogen atomic ratio in DU hydride by two empirical equations we formulated. Two empirical equations are used to determine Pressure-Composition-Temperature (PCT) curves and the hydrogen atomic ratio in DU hydride. In addition, we present the effect of pressure and temperature in the hydriding and dehydriding. A modeling study of the SDS was performed in this study. It is practically important to save more money and time. The hydrogen atomic ratio in the DU hydride was estimated using two empirical equations. The two empirical equations are modified and reformulated to determine PCT curves and the hydrogen atomic ratio in DU hydride. All parameters that are required to solve two empirical equations are obtained from the experimental data. The derived parameters are utilized for the numerical simulations. In the numerical simulations, the effects of pressure and temperature on both the hydriding and dehydriding reaction rates are confirmed.

Bed retained products in swept fixed bed (SFB) coal hydropyrolysis

Energy Technology Data Exchange (ETDEWEB)

Mastral, A.M.; Perez-Surio, M.J. [CSIC, Zaragosa (Spain). Inst. de Carboquimica

1997-12-31

The hydropyrolysis of a low rank coal in a swept fixed bed (SFB) reactor is carried out by fixing the hydrogen pressure (40 kg/cm{sup 2}), the hydrogen flow (2 l/min) and the residence time (10 min) at increasing temperatures (400 C, 500 C and 600 C) and coal bed heights (h, 1.5h, 2h, 2.5h and 3h). It is shown that the percentages of tars and char directly depend on the coal bed height and that there is not only a quantitative dependence, but also the height of the coal bed is very important and plays a relevant role on the nature of the conversion products. (orig.)

Ion cyclotron resonance study of reactions of ions with hydrogen atoms

International Nuclear Information System (INIS)

Karpas, Z.; Anicich, V.; Huntress, W.T. Jr.

1979-01-01

Reactions of H 2 + , HeH + , and CO 2 + ions with hydrogen atoms, and the reactions of D 2 + , CO 2 + , CO + , N 2 + and HCN + with deuterium atoms, were studied using ion cyclotron resonance techniques. These reactions proceed predominantly via a charge transfer mechanism. The rate constants measured are: 6.4, 9.1, 1.1, 5.0, 0.84, 0.90, 1.2, and 0.37 x 10 -10 cm 3 /sec, respectively. Hydrocarbon ions of the types CH/sub n/ + and C 2 H/sub n/ + , where n=2--4, do not react with H or D atoms

Co-Liquefaction of Elbistan Lignite with Manure Biomass; Part 3 - Effect of Reaction Time and Temperature

Science.gov (United States)

Koyunoglu, Cemil; Karaca, Hüseyin

2017-12-01

Most of the liquefaction process were carried out in a batch reactor, in which the residence time of the liquefaction products is long enough to favour the retrogressive reactions. To minimize retrogressive reactions, the liquefaction of coal was carried out in a flowing solvent reactor in which a fixed bed of coal is continuously permeated by hot solvent. Solvent flowing through the coal bed carries the liquefaction products out of the reactor. Unlike experiments carried out under similar conditions in a batch reactor no increase in solid residue is observed during long time high temperature runs in the flowing solvent reactor. There is a greater appreciation of the importance of retrograde, or polymerization, reactions. If the free radicals formed when coal breaks down are not quickly capped with hydrogen, they react with each other to form large molecules that are much harder to break down than the original coal. Reaction time impacts both the co-liquefaction cost and the product yield. So as to study this idea, the experiments of Elbistan Lignite (EL) with manure co-liquefaction carried out by changing the reaction time from 30 to 120 minutes. As a result, the greatest oil products yields obtained at 60 minutes. Therefore, by thinking about the oil products yield values acquired, the optimal reaction time was obtained to be 60 minutes for Elbistan lignite (EL) with manure liquefied with the temperature of 350°C and 400°C. Above 425°C did not examine because solvent (tetraline) loses its function after 425 °C. The obtained optimum temperature found 400°C due to higher total conversion of liquefaction products and also oil+gas yields.

Process for heating coal-oil slurries

Science.gov (United States)

Braunlin, W.A.; Gorski, A.; Jaehnig, L.J.; Moskal, C.J.; Naylor, J.D.; Parimi, K.; Ward, J.V.

1984-01-03

Controlling gas to slurry volume ratio to achieve a gas holdup of about 0.4 when heating a flowing coal-oil slurry and a hydrogen containing gas stream allows operation with virtually any coal to solvent ratio and permits operation with efficient heat transfer and satisfactory pressure drops. The critical minimum gas flow rate for any given coal-oil slurry will depend on numerous factors such as coal concentration, coal particle size distribution, composition of the solvent (including recycle slurries), and type of coal. Further system efficiency can be achieved by operating with multiple heating zones to provide a high heat flux when the apparent viscosity of the gas saturated slurry is highest. Operation with gas flow rates below the critical minimum results in system instability indicated by temperature excursions in the fluid and at the tube wall, by a rapid increase and then decrease in overall pressure drop with decreasing gas flow rate, and by increased temperature differences between the temperature of the bulk fluid and the tube wall. At the temperatures and pressures used in coal liquefaction preheaters the coal-oil slurry and hydrogen containing gas stream behaves essentially as a Newtonian fluid at shear rates in excess of 150 sec[sup [minus]1]. The gas to slurry volume ratio should also be controlled to assure that the flow regime does not shift from homogeneous flow to non-homogeneous flow. Stable operations have been observed with a maximum gas holdup as high as 0.72. 29 figs.

Theoretical study on composition of gas produced by coal gasification; Sekitan gas ka de seiseisuru gas no sosei ni kansuru kosatsu (HYCOL data no doteki kaiseki)

Energy Technology Data Exchange (ETDEWEB)

Kaiho, M.; Yasuda, H.; Kobayashi, M.; Yamada, O.; Soneda, Y.; Makino, M. [National Institute for Resources and Environment, Tsukuba (Japan)

1996-10-28

In relation to considerations on composition of gas produced by coal gasification, the HYCOL hydrogen generation process data were analyzed. From the fact that CO concentration (Y) decreases linearly with CO2 concentration (X), element balance of gasification of reacted coal was used to introduce a reaction analysis equation. The equation includes a term of oxygen excess {Delta}(amount of oxygen consumed for combustion of CO and H2 in excess of the theoretical amount), derived by subtracting the stoichiometric oxygen amount used to gasify coal into CO and H2 from the consumed oxygen amount. The {Delta} can be used as a reference to oxygen utilization efficiency. An equation for the {Delta} was introduced. Also introduced was a term for steam decomposition amount derived by subtracting the generated steam from the supplied steam. These terms may be used as a clue to permeate into the gasifying reaction process. This suggestion was discussed by applying the terms to gas composition value during operation. According to the HYCOL analysis, when a gasification furnace is operated at higher than the reference oxygen amount, coal supply variation is directly reflected to the combustion reaction, making the {Delta} distribution larger. In an inverse case, unreacted carbon remains in the furnace due to oxygen shortage, and shift reaction may occur more easily even if oxygen/coal supply ratio varies. 6 figs., 1 ref.

Rydberg phases of Hydrogen and low energy nuclear reactions

Science.gov (United States)

Olafsson, Sveinn; Holmlid, Leif

2016-03-01

For over the last 26 years the science of cold fusion/LENR has been researched around the world with slow pace of progress. Modest quantity of excess heat and signatures of nuclear transmutation and helium production have been confirmed in experiments and theoretical work has only resulted in a large flora of inadequate theoretical scenarios. Here we review current state of research in Rydberg matter of Hydrogen that is showing strong signature of nuclear processes. In the presentation experimental behavior of Rydberg matter of hydrogen is described. An extensive collaboration effort of surface physics, catalysis, atomic physics, solid state physics, nuclear physics and quantum information is need to tackle the surprising experimental results that have so far been obtained. Rydberg matter of Hydrogen is the only known state of matter that is able to bring huge collection of protons to so short distances and for so long time that tunneling becomes a reasonable process for making low energy nuclear reactions. Nuclear quantum entanglement can also become realistic process at theses conditions.

Dike intrusions into bituminous coal, Illinois Basin: H, C, N, O isotopic responses to rapid and brief heating

Science.gov (United States)

Schimmelmann, A.; Mastalerz, Maria; Gao, L.; Sauer, P.E.; Topalov, K.

2009-01-01

Unlike long-term heating in subsiding sedimentary basins, the near-instantaneous thermal maturation of sedimentary organic matter near magmatic intrusions is comparable to artificial thermal maturation in the laboratory in terms of short duration and limited extent. This study investigates chemical and H, C, N, O isotopic changes in high volatile bituminous coal near two Illinois dike contacts and compares observed patterns and trends with data from other published studies and from artificial maturation experiments. Our study pioneers in quantifying isotopically exchangeable hydrogen and measuring the D/H (i.e., 2H/1H) ratio of isotopically non-exchangeable organic hydrogen in kerogen near magmatic contacts. Thermal stress in coal caused a reduction of isotopically exchangeable hydrogen in kerogen from 5% to 6% in unaltered coal to 2-3% at contacts, mostly due to elimination of functional groups (e.g., {single bond}OH, {single bond}COOH, {single bond}NH2). In contrast to all previously published data on D/H in thermally matured organic matter, the more mature kerogen near the two dike contacts is D-depleted, which is attributed to (i) thermal elimination of D-enriched functional groups, and (ii) thermal drying of hydrologically isolated coal prior to the onset of cracking reactions, thereby precluding D-transfer from relatively D-enriched water into kerogen. Maxima in organic nitrogen concentration and in the atomic N/C ratio of kerogen at a distance of ???2.5 to ???3.5 m from the thicker dike indicate that reactive N-compounds had been pyrolytically liberated at high temperature closer to the contact, migrated through the coal seam, and recombined with coal kerogen in a zone of lower temperature. The same principle extends to organic carbon, because a strong ??13Ckerogen vs. ??15Nkerogen correlation across 5.5 m of coal adjacent to the thicker dike indicates that coal was functioning as a flow-through reactor along a dynamic thermal gradient facilitating back-reactions

Low-cost process for hydrogen production

Science.gov (United States)

Cha, Chang Y.; Bauer, Hans F.; Grimes, Robert W.

1993-01-01

A method is provided for producing hydrogen and carbon black from hydrocarbon gases comprising mixing the hydrocarbon gases with a source of carbon and applying radiofrequency energy to the mixture. The hydrocarbon gases and the carbon can both be the products of gasification of coal, particularly the mild gasification of coal. A method is also provided for producing hydrogen an carbon monoxide by treating a mixture of hydrocarbon gases and steam with radio-frequency energy.

Fuel Cells in the Coal Energy Industry