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By William A. Apel

Several different strains of bacteria have been shown capable of reducing hexavalent chromium, Cr(VI), to Cr(III), a less toxic, .. more readily recoverable form of Cr. This paper examined the Cr(VI) reduction efficacies of 3 different Cr(VI) reducing bacteria: Pseudomonas f1uorescens LB300., Pseudomonas aeruginosa PAOI, and Pseudomonas aeruginosa PAOI (pCROI) It was demonstrated that all three bacterial stratns reduced Cr(VI) primarily during their exponential growth phases while using glucose as their carbon and energy source. Significant differences in the three organisms' Cr(Vl) reduction capabilities depending on initial Cr(VI) concentrations were also demonstrated. P. aeruginosa PAOI showed superior Cr(VI) reducing capabilities over the. entire range of Cr(VI) concentrations tested while the Cr(VI) reduction capabilities of the other two strains were increasingly inhibited as Cr(VI) concentrations increased.

Jan 1, 1991

By Y. Suzuki, J. Nagao, Y. Ueda, K. Shimokawa

"A Ti- Ni intermetallic compound could be formed rapidly from Ti and Ni powder compact with SHS process. Microgravity experiments using a drop shaft are carried out, This report shows the effect of microgravity or high gravity on formability of an intermetallic compound. It is concluded that the specimen forms a porous and nearly amorphous alloy by rapid cooling under microgravity but with rapid cooling under high gravity after microgravity, the specimen forms a uniform and dense structure with better crystallinity.IntroductionTi - Ni inter1etallic co1pounds have been produced and have beco1e si1ilar to the a1orphous and porous structure as a result of the SHS (Self Propagating High-te1perature Synthesis) process under 1icrogravity. SHS process is being applied to the synthesis of cera1ics and inter1etallic co1pounds (1). The technique is characterized by a large a1ount of heat being emitted within a very short ti1e interval as regards the sistering reaction. One SHS process, acco1panying 1elting by a reaction was observed, and that was due to the quick heating of a Ni-Ti co1pact containing 50 ato1ic percent of Ti under a low pressure (2-4). In this report, we have researched the use a drop shaft which is 1ore effective during a short ti1e under 1icrogravity and high-gravity, so as to obtain high dense speci1ens with the exception of porous specimens (5). Mechanical properties of each specimen were esti1ated from these 1icro-structures with a discussion about the effect of changing gravity regarding 1elting and solidification of the Ti-Ni intermetallic comounds."

Jan 1, 1996

By Nicholas Zabaras, Deep Samanta

"Solidification of metal aluminum and aluminum alloys is modeled on uneven surfaces characterized by sinusoidal curves. Wavelengths and amplitudes of these sinusoidal surfaces are varied to study their effects on processes like solidification, macro-segregation and inverse segregation. Solidification and macro-segregation are modeled using a slightly modified form of a stabilized finite element method developed recently to model high Rayleigh number solidification and porous media flows. For pure metal solidification, the effect of varying amplitudes and wavelengths is observed in heat transfer, fluid-flow ~nd phase change processes. The relative importance of shrinkage driven flow and solutal convection on the redistribution of solute for an alloy solidifying in a rectangular cavity is compared. The analysis is then extended by modifying one of the surfaces to a sinusoid. In this case the effects of varying amplitudes and wavelengths are studied in heat transfer, fluid flow, phase change, macro-segregation and inverse segregation processes.1 IntroductionTransport phenomenon during solidification of alloys is a major cause ofcasting defects such as segregation, micro-voids, hot tears, porosity, internal and surface cracks. Heat flow across metal and mold surfaces directly affects the phase change process and plays an important role in determining freezing conditions within the metal. In alloys, natural convection and shrinkage play an important role in determining the final solute redistribution, macrosegregation and evolution of solid macromorphology. Surface unevenness plays an important role during the early stages of solidification. It influences the heat transfer rate and fluid flow in the melt, which in turn affect the morphology and shape of the solid-liquid interface. The effect of surface unevenness on solute redistribution is important during solidification of alloys, where solute driven flow in the mushy zone is prominent. Thevik and Mo in [7] and [8] used a one dimensional model for studying surface segregation and macrosegregation in alloys under the influence of exudation and solidification shrinkage. Air-gap formation in their model was expressed through a variable convective heat transfer coefficient at the boundary. Tsai et al. in [3] and [4] have modeled macrosegregation in an aluminum-copper alloy driven by shrinkage and solutal convection. They used a single domain model based on mixture theory and solved the transport equations using finite difference methods. Our aim is to model solidification of aluminum followed by macrosegregation and inverse segregation in aluminum-copper alloys on uneven surfaces by finite element methods. These surfaces are modeled as sinusoids characterized by amplitudes, ?s and wavelengths, As, By varying As and ?s, changes in heat transfer, fluid flow, phase-change and macrosegregation are studied."

Jan 1, 2004

By J. P. Gu, C. Beckermann

"Melt convection and macrosegregation in casting of a large steel ingot is numerically simulated. The simulation is based on a previously developed model for multicomponent steel solidification with melt convection, and involves the solution of fully coupled conservation equations for the transport phenomena in the liquid, mush, and solid. Heat transfer in the mold and insulation materials, as well as the formation of a shrinkage cavity at the top are taken into account. The numerical results show the evolution of the temperature, melt velocity, and species concentration fields during solidification. The predicted variation of the macrosegregation of carbon and sulfur along the vertical centerline is compared with measurements from an industrial steel ingot that was sectioned and analyzed. Although generally good agreement is obtained, the neglect of sedimentation of free equiaxed grains prevents the prediction of the zone of negative macrosegregation observed in the lower part of the ingot. It is also shown that the inclusion of the shrinkage cavity at the top is important in obtaining good agreement between the predictions and measurements.IntroductionMacrosegregation in large steel ingots is one of the most well-known and now classical problems in the field of solidification and casting [1]. Commonly found macrosegregation patterns in steel ingots are a positively segregated zone at the top, negative segregation near the bottom in the equiaxed zone, inverse segregation near the ingot surface, V-segregates along the centerline, and A-segregates in the columnar zone [2, 3]. It is well established that the macroscopic transport of species leading to macrosegregation can occur by a variety of mechanisms, including thermally and solutally driven natural convection of the melt in the mushy zone, flow due to solidification contraction, and the sedimentation of free equiaxed crystals. Fredriksson and coworkers [ 4,5] provide recent overviews of the solidification transport phenomena and macrosegregation in ingot casting."

Jan 1, 1999

By Simon Lekakh, Von Richards, C. Hank Rawlins, Kent Peaslee

"Batch aqueous leaching and carbonation tests were conducted using industrial steelmaking slags to determine the effect of carbonic anhydrase enzyme as a catalyst. Calcium leaching is a strong function of particle surface area, and the extent can be expressed as a function of time and particle size. Carbonic anhydrase did not affect the calcium-leaching rate, however, it did catalyze calcium carbonate formation to achieve a neutralization time near the theoretical rate. Additionally, carbonic anhydrase modified the precipitate morphology due to accelerated particle nucleation. Time controlled tests in which the pH dropped to ~6 decreased the amount of carbonate produced, and this effect was exaggerated by carbonic anhydrase, while pH controlled tests (>8.5) exhibited the highest rate of carbonation. Because the leaching rate was ~50% faster than the carbonation rate, a further increase in the amount of carbonation may be realized by using carbonic anhydrase however pH must be >10.3.IntroductionSteelmaking slag contains high fractions of alkaline earth oxide based phases (i.e., CaO and MgO) that exothermically form carbonates. Thus, it is being considered as a means of permanent carbon dioxide sequestration. At current U.S. steel production rates, approximately 13-17 million tons/year of slag are generated from basic oxygen furnace (BOF), electric arc furnace (EAF), and ladle metallurgy furnace (LMF) processes [1]. BOF and EAF slag is used as high quality mineral aggregate or cement clinker, while LMF slag, produced at ~15% the rate of BOF and EAF slags, has limited use as blast furnace flux or acid mine neutralization with the majority going to landfill [2]. Based on slag’s chemical nature and immediate availability as a co-product from steel production, the steel industry initiated a project to investigate hydrous carbonate formation in steelmaking slag as a method of sequestering carbon dioxide emitted in steelmaking offgas [3]. The goal of this project is to determine the reactor parameters suitable for the design of an industrial system for treating steelmaking offgas with raw or minimally processed slag."

Jan 1, 2009

By Nobumasa Kemori

Six kinds of copper '90ncentrates. were treated individually in a ,pilot scale. Outokumpu flsah smelting furnace ~n order to study their ?flash smelting behavior with respect to oxygen efficiency and dust generation. The copper concentrates tested were selected from the more than twenty sources which are treated at the Sumitomo Toyo copper smelter, so as to provide a wide range of chemical composition in terms .of Cu, S,Fe, Pb + Zn + As, and Si~ content. Oxygen efficiency 'and dust generation rates obtained in 'the experiments ranged from 80% ,to 108% and 11% to 20%, respectively. Relationships between these results and experhnental conditions such as chemical and mineral composition of the copper concentrates, flux ratio, fuel consumption and so on are also discussed quantitatively in this paper.

Jan 1, 1998

By K. Mansfield

Spent Pot Lining (SPL) is an unavoidable waste product of the electrolytic process in the smelting of aluminium. SPL is considered to be a hazardous waste in various countries because it contains significant quantities of absorbed fluorides along with traces of cyanide. In 1995, Portland Aluminium undertook the investment of AUD$26,400,000 to construct a Research and Development processing facility at Portland, Victoria, Australia, to treat SPL. Extensive research, development and design were carried out over 5 years prior to the investment decision. This study led Portland Aluminium to install an Ausmelt pyrometallurgical furnace to combust and melt the SPL producing a hydrogen fluoride (HF) laden gas, which was cooled and then converted to aluminium fluoride (AlF3). Both the cooling and AIF3 manufacture were processes developed by Portland Aluminium. Many commissioning, equipment reliability and process problems have been encountered that had not been experienced in the trials at Ausmelt or in the developmental process for the treatment of the furnace offgases to form AlF3. Designs based on anticipated process expectations have had to be re-engineered by the SPL team to ensure plant and operational success. In June 2001, the installation of the final major component - a slag granulation process - was completed. This has produced a vitrified (glassy) slag that is expected to have leachability qualities acceptable to the Victorian Environment Protection Authority (EPA) to allow commercial end uses of the slag material to be developed. Today (September 2001), the smelter has successfully used the fluoride product, namely 65- 70% AIF3, in aluminium production and the SPL plant has significantly increased throughput with expectations to be at annual design rates of 12,000 tonne of SPL in early 2002. "The Alcoa Portland SPL Process" has been technically developed and is a proven process for the treatment and recovery of valuable components from SPL materials.

Jan 1, 2002

By D. J. Murdock

Cominco Ltd. has developed a number of innovative technologies for electrowinning. The paper discusses the application of these technologies to the copper industry. Tankhouse and cell design will be discussed in addition to anode cleaning and cathode handling. Specific examples of the application of this technology to the copper industry are cited.

Jan 1, 1987

By Cang Daqiang, Bai Hao, Li Ning, Liu Xueting, Lu Xin, Zhao Lihua, Li Hongxu, Wei Wei

"Based on the principle of carbon balance, a model was built to calculate C02 emissions of each process and correspondingly the total course of production in iron and steel making. The data from a typical integrated steelworks in China was applied in the model. The results show that the BF and coking process account for the most emissions. Generally, C02 emissions in integrated steelworks depend on three factors, resources utilization efficiency, energy utilization efficiency and energy consumption structure, which were considered in an equation in this paper. Especially, General Emission Factor (GEF) was proposed to assess the relationship between C02 emissions and energy consumption. The results show that, higher GEF will result in more C02 emissions with the same energy consumption and in iron and steel making, the optimization of energy structure and development of eco-industrial park both have significant benefit on the carbon reduction.IntroductionThe Global Warming resulting from the increase of Greenhouse Gases (GHGs), especially C02, in the atmosphere has become the main reason of global climate change, and the carbon reduction is one of the most important ways for the sustainable development [1]. The iron and steel making is a manufacturing industry based on iron-coal high temperature chemical process, in which plenty of C02 is emitted. According to the data from IPCC (Intergovernmental Panel on Climate Change) in 2001, iron and steel making emitted about 650 million tons ofC02 every year, which is the fourth largest industry of the fossil energy consumption [2]. According to the data from EEA (European Enviromnent Agency) in 2006, iron and steel making is the largest source ofC02 emissions, which accounted for about 18% of the total C02 emissions in European manufacturing industry [3].It is estimated that the application of various well developed energy-saving technology, such as Coke Dry Quenching (CDQ), Top Pressure Recovery Turbine (TRT) and Coal Moisture Control (CMC), can make the C02 emissions reduced by 0.5%-3% in iron and steel making, and the further C02 emissions reduction can be achieved if more new energy saving technology is applied, such as sintering plant heat recovery, electricity generation with steam generated from converter and the various by-products gas and the hydrogen making process from COG[4,5]. In addition, the application of membrane separation technology is well expected in iron and steel making [6]. For example, the application of C02 Capture and Storage (CCS) in blast furnace combined with the Pure Oxygen Top Gas Recycled BF (TGRBF) technology can reduce the C02 ennss10ns greatly by about 50%-60% [4].That is, as a kind of C02 end-treatment technology, CCS applied with other technology of C02 recovery would be more meaningful. Actually, reduction of the C02 emissions by changing the structure of energy consumption and raw materials with new process of iron and steel making, such as direct reduction process or smelting reduction process [4,7,8], is the trend of ferrous metallurgical engineering, which is regarded as a kind of source-treatment technology. In this sense, source-treatment technology is more pivotal for the solution of carbon reduction in the future than the current popular energy saving technology. Hence, it is necessary to build the C02 emissions model based on the iron and steel making process and evaluate the relationship between the energy saving and C02 emission reduction."

Jan 1, 2012

By K. C. Liddell

"Cu/Ni multilayers exhibiting giant magnetoresistance were deposited from a single electrolyte under stepped potentiostatic control. To enable transport measurements to be made without remounting the multilayer film, we developed a novel method that involved plating on a thin metallic basal layer atop a rigid non-conducting Si substrate. Rotating ring-disk electrode techniques were used to monitor the composition and thickness of individual plated layers. Transmission electron microscopy confirmed that the interfaces between adjacent layers were sharp and that the structure of the layers was uniform throughout the film. Atomic force microscopy images indicated that the film's surface was smooth and free of defects.ELECTRODEPOSITION OF THIN MULTILAYER MAGNETIC MATERIALSI. IntroductionElectrodeposition of compositionally modulated films will in all likelihood continue to be used to produce the read heads for stored magnetic data. However, the next generation of head materials will require both improved sensitivity and reduced film thickness. Certain multi layers consisting of thin alternating ferromagnetic and nonmagnetic layers exhibit giant magneto resistance and consequently are promising candidates for read head applications. We have successfully made multilayer films with giant magnetoresistance that have total thicknesses as low as 25 nm, approximately 120 times thinner than the thinnest similar films reported in the literature. This paper describes early results from our work on electrodeposition and characterization of Cu/Ni multilayers, a model system with enhanced magnetic and mechanical properties, including the GMR effect. The structure and composition of the multilayers were determined using TEM, AFM, and electrochemical methods, and their magnetoresistance was measured by the standard four-probe technique. A novel method developed in this work enabled the transport properties of the ultrathin films to be measured reliably without the need to dissolve the cathode or handle the films. To provide a context for these results, short accounts of other work on giant magnetoresistance and multilayer electrodeposition are also included."

Jan 1, 1997

By Qingchun Yu, Bin Yang, Yong Deng, Heng Xiong, Fei Wang, Minxiu Chen

"Metal aluminum produced by non-electrolysis process received much attention due to its lower energy consumption. In this paper, carbothermic reduction and carbothermic-chlorination of alumina in normal pressure and vacuum were studied. The products were examined by means of XRD, EDS and SEM. During the carbothermic reduction process using carbon reductant in normal pressure, no metal aluminum was found. However, when coal was used as reductant, a mixture containing metallic aluminum, A14C3, and silicon was obtained, but metallic aluminum couldn't be separated from the mixture. During the carbothermic-chlorination process in vacuum, Al404C and Al4C3 were produced by the reaction between alumina and carbon, and Al Ch gas reacted with Al404C and Al4C3 to produce Al Cl gas. Metallic aluminum was produced due to the disproportionation of A!Cl gas and condensed on the collecting plate. Meanwhile, the initial temperature of carbothermic reduction of alumina reduced in vacuum compared with that in normal pressure.IntroductionIndustrial production of primary aluminum is carried out in alumina cell by the so-called Hall- Heroult process, necessitating the use of very high currents of low voltage. The alumina from which metallic aluminum is gained must be chemically pure, otherwise impure metal results. The main drawbacks of the electrolytic production are its very high energy consumption, the release ofperfluorocarbons, and the high specific C02 emissions [1]. During the past years, there were a lot of attempts to produce metallic aluminum by carbothermic reduction of A1203 [2, 3]. Cox [4] determined the vapor pressure over the A1203-C system and performed X-ray diffraction analysis of condensed products. It was demonstrated that an increase in the carbon content in the system leaded to the sequence of transitions: A1203~Al404C~A1zoc~A14C3 ~AI [5]. In any carbothermic reduction process for aluminum, extremely high temperatures (2000 °C ) were required [6]. In spite of considerable effort, the carbothermic reduction of alumina to aluminum remains a formidable technical challenge, due to the high temperatures required, and to the formation of aluminum carbide and oxycarbide byproducts [7]."

Jan 1, 2013

By W. K. Connor, O&apos

The U.S. Bureau of Mines, in cooperation with the Idaho National Engineering Laboratory (INEL), conducted over 30 hours of melting tests to vitrify simulated low-level radioactive wastes from the INEL Radioactive Waste Management Complex (RWMC). Five separate waste compositions were investigated, each consisting of noncontarninated soil from the RWMC and surrogate materials used to simulate the actual buried wastes. The RWMC soil and five waste compositions were melted in a 50-lb, single-phase electric arc furnace with a water-cooled shell. These tests were conducted to determine melting parameters in preparation for a large-scale melting campaign to be conducted in the Bureau's 1-metric ton (mt), water-cooled-wall, 3-phase electric arc fumace. Bulk chemical composition was determined for each of the feed materials and for the slag, metal, fume solids, and offgas furnace products, and distributions were calculated for the key elements. The material balance for the furnace operation indicates that from 63 to 84 pct of the feed reported to the slag. Cerium, used as the surrogate for the radionuclides in the wastes, demonstrated an extremely strong affinity for the slag product. Although slag temperatures as low as 1250° C were recorded when melting the RWMC soil, temperatures in excess of 1600° C were necessary to achieve the fluidity required for a successful slag tap.

Jan 1, 1994

By E. Fregeau-Wu

The major obstacle in recycling steelmaking slags to the blast furnace is their phosphorus content. Removal of the phosphorus, which is primarily associated with the silicate and phosphate phases, would allow for greater recycle of these slags for their iron, manganese, and lime contents. Calculations show that separation of the silicates from the oxide phases would remove nearly 90% of the phosphorus from the slag. The variable grain size of the as-received slag made liberation by fine grinding difficult. Therefore, slow-cooling experiments were undertaken to improve the grain size distribution. The grain size distributions were determined using in-situ image analysis. The samples were ground to their apparent liberation size and high gradient magnetic separation was used to separate the magnetic oxides from the nonmagnetic silicates and phosphates. Liberation analysis and modeling was performed on selected separation products for discussion of benefication characteristics.

Jan 1, 1995

By Guy Xueyi

The environmental impact assessment of the Imperial Smelting Process for metallic zinc and lead production in Shaoguan Smelter, China, was carried out by the life cycle assessment method. The detailed inventory analysis of the Input/Output in the process during 1998-2000 was conducted and the allocation was done among the main products of zinc, lead and sulfuric acid, according to the system expansion and substitution principle, The environmental impacts were assessed by using the following five Eco-indicators: Gross Energy Requirement (GER), Global Warming Potential (GWP), Acidification Potential (AP), Heavy Metal Toxicity' (HMT) and Solid Waste Burden (SWB). The results from this study are useful to address the environmental situation of the technology practice in this smelter, and provide a scientific basis for the further improvement.

Jan 1, 2003

By S. Seetharaman

The present paper presents. the concept of micro-models and illustrates the application of the same in the simulations metallurgical processes. Development of micromodels requires access to accurate thermodynamic, thermophysicaland kinetic information for the relevant systems with suitable models to extrapolate the data as functions of temperature and composition. Experimental measurements and modelling of the thermodynamic properties, sulphide capacities and viscosities of oxide melts carried out in the department are presented. The incorporation of these models in process models, with special reference to ladle refining of steel is illustrated. Typical example of micro-modelling of solid-gas reactions is also presented.

Jan 1, 1999

By Jose M. Gomez-Vega, Osamu Takai, Atsushi Hozumi, Hiroyuki Sugimura

"Ongoing research is reported aimed at improving the properties of mesoporous silica-based coatings on various substrates for optoelectronic or medical applications. Tetraethylorthosilicate (TEOS) was selected as the silica precursor, and amphiphilic triblock copolymers poly( ethylene oxide)- poly(propylene oxide)poly( ethylene oxide) as the surfactant micellar template or structure-directing agents. Cetyltrimethylammonium chloride (CTAC) was also used as a control agent. The effect of the templating agent and type of substrate (glass, Si, and Ti) on the mesoporosity, particularly on the alignment of the mesochannels, has been investigated. Three · different treatments (thermocalcination, photocalcination, and solvent extraction) have been also studied to remove the organic templates.IntroductionThe fabrication of mesoporous silicate-based materials through the utilization of a sol-gel process, where cooperative organization of organic and inorganic species takes place, provides a versatile approach to nanoscaled structures with potential applications in fields such as catalysts, optoelectronics, biomaterials, etc. Compared to conventional low molecular weight surfactants, self assembly of amphiphilic·block copolymers can result in mesostructured materials with larger pore sizes (up to 30 nm).1 Most of the synthetic strategies use silicon alkoxides as the silica precursor, although non-silicate metal alkoxides, e.g; Ti, Zr, Al, and B, have been also used to obtain different mesoporous materials, or even mixed metallic oxide systems. 2 Recently, Yang et al. 3 • 4 were able to synthesii:e a great variety of mesoporous metal oxides ID nonaqueous media using inorganic precursors (metal chlorides) and block copolymers as structure-directing agents."

Jan 1, 2000

By Olga Slavkina

A new technology of bacterial leaching by means of the Thiobacillus ferrooxidance bacteria is proposed. The equations of reactions that describe of the first and the second stage of bacterial leaching of sulfide raw materials containing non-ferrous metals are given. The theory is analyzed and the technology of processing of some complicated substandard concentrate containing copper and zinc is proposed. The main technological operations including a two-stage bacterial leaching and stages of copper and zinc recovery in the form of marketable product are described. The results of the experimental validation of the main technological parameters of the first stage are given. The main possibilities of a more complete zinc and copper recovery at the second stage of bacterial leaching are discussed in comparison with single-stage leaching process.

Jan 1, 2003

By R. R. Odle

A laboratory and pilot-scale investigation of direct smelting of copper concentrates was conducted to determine the effect of concentrate analysis and the degree of roasting on the yield and quality of copper produced in a subsequent smelting step. A stoichiometric :mOdel of direct smelting is presented which predicts the? quantity of copper; slag, and white metal' prOduced'and the distribution of copper in these phases as a function? of the concentrate '(calcine) analysis.

Jan 1, 1983

By J. D. McCain

Magma's San Manuel smelter has adopted new operating techniques resulting in 21% increased productivity and 87% reduction in lost time accidents. Reverberatory furnaces were converted to coal firing from expensive natural gas and fuel oil. Slag and matte flow problems and safety were improved by implementing hydraulic slag stopping and matte tapping machines. Coordination of furnaces, converters and acid plant was improved by using a computer-aided converter controller/scheduler function. Manual mudding of converter lips after each collar pull was replaced with a gunning system for coating the mouth castings. One converter punch car was automated using robotic technology. An automatic anode take-off was installed with fewer moving parts and a mechanism for ear twisting one cell contact. Anode copper refining was improved by replacing propane/hydrogen mixtures with high pressure/velocity natural gas tuyeres. Improved converter scheduling increased acid plant production 43% with more autothermal operation time. Six dedicated computers/microprocessors are utilized for automation, data acquisition, process monitoring and on-line air quality information for the Supplementary Control System.

Jan 1, 1983

By Patrice Chartrand, Halvor Dalaker, Philippe Ouzilleau

A size-dependant thermodynamical model for the carbon-hydrogen previously developed by Ouzilleau et al. [1] has been expanded here to include chemisorption of methyl groups. Gibbsenergy minimalisation calculations using FACTSAGE software on this model indicates that hydrogen bonding through methyl groups is energetically favoured as an intermediate between bonding as monoatomic hydrogen to edge hexagons (which is more favourable) and as monoatomic hydrogen to corner hexagons (which is less favourable). The model has also been applied to methane decomposition and oxide reduction using natural gas. A C-H solid solution as a thermodynamic description of the solid carbon phase influences calculations of carbon activity in metastable methane, and gives different results than when using graphite.

Jan 1, 2015