Search results for: Hydrogen addition

Authors: Haroun A.K. Shahad, Nabeel Abdul-Hadi

Abstract:

Experiments were carried out to evaluate the influence of the addition of hydrogen to the inlet air on the performance of a single cylinder direct injection diesel engine. Hydrogen was injected in the inlet manifold. The addition of hydrogen was done on energy replacement basis. It was found that the addition of hydrogen improves the combustion process due to superior combustion characteristics of hydrogen in comparison to conventional diesel fuels. It was also found that 10% energy replacement improves the engine thermal efficiency by about 40% and reduces the sfc by about 35% however the volumetric efficiency was reduced by about 35%.

Keywords: Hydrogen, Blended fuel, Manifold injection , Performance , Combustion

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Authors: Wipada Ploysuksai, Pramoch Rangsunvigit, Santi Kulprathipanja

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In this work, effects of catalysts (TiO2, and Nb2O5) were investigated on the hydrogen desorption of Mg(BH4)2. LiBH4 and MgCl2 with 2:1 molar ratio were mixed by using ball milling to prepare Mg(BH4)2. The desorption behaviors were measured by thermo-volumetric apparatus. The hydrogen desorption capacity of the mixed sample milled for 2 h was 4.78 wt% with a 2-step released. The first step occurred at 214 °C and the second step appeared at 374 °C. The addition of 16 wt% Nb2O5 decreased the desorption temperature in the second step about 66 °C and increased the hydrogen desorption capacity to 4.86 wt% hydrogen. The addition of TiO2 also improved the desorption temperature in the second step and the hydrogen desorption capacity. It decreased the desorption temperature about 71°C and showed a high amount of hydrogen, 5.27 wt%, released from the mixed sample. The hydrogen absorption after desorption of Mg(BH4)2 was also studied under 9.5 MPa and 350 °C for 12 h.

Keywords: hydrogen storage, LiBH4, metal hydride, Mg(BH4)2

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Authors: A. Goi, M. Trapido, N. Kulik

Abstract:

The hydrogen peroxide treatment was able to remediate chlorophenols, polycyclic aromatic hydrocarbons, diesel and transformer oil contaminated soil. Chemical treatment of contaminants adsorbed in peat resulted in lower contaminants- removal and required higher addition of chemicals than the treatment of contaminants in sand. The hydrogen peroxide treatment was found to be feasible for soil remediation at natural soil pH. Contaminants in soil could degrade with the addition of hydrogen peroxide only indicating the ability of transition metals ions and minerals of these metals presented in soil to catalyse the reaction of hydrogen peroxide decomposition.

Keywords: Hydrogen peroxide, oxidation, soil treatment, decontamination.

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Authors: Seul-Kee Kim, Chi-Seung Lee, Myung-Hyun Kim, Jae-Myung Lee

Abstract:

In this study, the hydrogen transport phenomenon was numerically evaluated by using hydrogen-enhanced localized plasticity (HELP) mechanisms. Two dominant governing equations, namely, the hydrogen transport model and the elasto-plastic model, were introduced. In addition, the implicitly formulated equations of the governing equations were implemented into ABAQUS UMAT user-defined subroutines. The simulation results were compared to published results to validate the proposed method.

Keywords: Hydrogen-enhanced localized plasticity (HELP), Hydrogen embrittlement, Hydrogen transport analysis, ABAQUS UMAT, Finite element method (FEM).

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Authors: Weixin Qian, Haitao Zhang, Hongfang Ma, Yongdi Liu, Weiyong Ying, Dingye Fang

Abstract:

The adsorption properties of CO and H2 on iron-based catalyst with addition of Zr and Ni were investigated using temperature programmed desorption process. It was found that on the carburized iron-based catalysts, molecular state and dissociative state CO existed together. The addition of Zr was preferential for the molecular state adsorption of CO on iron-based catalyst and the presence of Ni was beneficial to the dissociative adsorption of CO. On H2 reduced catalysts, hydrogen mainly adsorbs on the surface iron sites and surface oxide sites. On CO reduced catalysts, hydrogen probably existed as the most stable CH and OH species. The addition of Zr was not benefit to the dissociative adsorption of hydrogen on iron-based catalyst and the presence of Ni was preferential for the dissociative adsorption of hydrogen.

Keywords: adsorption, Fischer-Tropsch synthesis, iron-based catalysts

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Authors: S.Fardindoost, A. Iraji Zad, S.M.Mahdavi

Abstract:

Tungsten trioxide has been prepared by using P-PTA as a precursor on alumina substrates by spin coating method. Palladium introduced on WO3 film via electrolysis deposition by using palladium chloride as catalytic precursor. The catalytic precursor was introduced on the series of films with different morphologies. X-ray diffractometry (XRD), Scanning electron microscopy (SEM) and XPS were applied to analyze structure and morphology of the fabricated thin films. Then we measured variation of samples- electrical conductivity of pure and Pd added films in air and diluted hydrogen. Addition of Pd resulted in a remarkable improvement of the hydrogen sensing properties of WO3 by detection of Hydrogen below 1% at room temperature. Also variation of the electrical conductivity in the presence of diluted hydrogen revealed that response of samples depends rather strongly on the palladium configuration on the surface.

Keywords: Electrolysis, Hydrogen sensing, Palladium, WO3

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Authors: O. Takakuwa, Y. Mano, H. Soyama

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This paper reveals the interaction between hydrogen and surface stress in austenitic stainless steel by X-ray diffraction stress measurement and thermal desorption analysis before and after being charged with hydrogen. The surface residual stress was varied by surface finishing using several disc polishing agents. The obtained results show that the residual stress near surface had a significant effect on hydrogen absorption behavior, that is, tensile residual stress promoted the hydrogen absorption and compressive one did opposite. Also, hydrogen induced equi-biaxial stress and this stress has a linear correlation with hydrogen content.

Keywords: Hydrogen embrittlement, Residual stress, Surface finishing, Stainless steel.

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Authors: M. Shariati, N. Tahouni, A. Khoshgard, M.H. Panjeshahi

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Owing to extensive use of hydrogen in refining or petrochemical units, it is essential to manage hydrogen network in order to make the most efficient utilization of hydrogen. On the other hand, hydrogen is an important byproduct not properly used through petrochemical complexes and mostly sent to the fuel system. A few works have been reported in literature to improve hydrogen network for petrochemical complexes. In this study a comprehensive analysis is carried out on petrochemical units using a modified automated targeting technique which is applied to determine the minimum hydrogen consumption. Having applied the modified targeting method in two petrochemical cases, the results showed a significant reduction in required fresh hydrogen.

Keywords: Automated targeting, Hydrogen network, Petrochemical, Process integration.

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Authors: Vijaya Ilango, Avika Gupta

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Hydrogen fuel is a zero-emission fuel which uses electrochemical cells or combustion in internal engines, to power vehicles and electric devices. Methods of   hydrogen storage for subsequent use span many approaches, including high pressures, cryogenics and chemical compounds that reversibly release H₂ upon heating. Most research into hydrogen storage is focused on storing hydrogen as a lightweight, compact energy carrier for mobile applications. With the accelerating demand for cleaner and more efficient energy sources, hydrogen research has attracted more attention in the scientific community. Until now, full implementation of a hydrogen-based energy system has been hindered in part by the challenge of storing hydrogen gas, especially onboard an automobile. New techniques being researched may soon make hydrogen storage more compact, safe and efficient. In   this overview, few hydrogen storage methods and mechanism of hydrogen uptake in carbon nanotubes are summarized.

Keywords: Carbon nanotubes, Chemisorption, Hydrogen storage, Physisorption.

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Authors: Mohamed H. Elhsnawi, Mesbah M. Salem, Saleh B. Mohamed

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Numerical simulation performed to investigate the behavior of the high pressure hydrogen jetting of air. High pressure hydrogen (30–40 MPa) was injected to air at atmospheric pressure through 2mm orifice. Numerical simulations were performed with Kiva3V code with 2D axisymmetric geometry. Numerical simulations showed that auto ignition of high pressure hydrogen to air are possible due to molecular diffusion. Auto ignition was predicted at hydrogen-air contact surface due to mass and energy exchange between high temperature hydrogen and air heated by shock wave.

Keywords: Spontaneous Ignition, Diffusion Ignition, Hydrogen ignition, Hydrogen Jet.

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Authors: J. H. Zhou, C. S. Cheung, C. W. Leung

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The present study conducted experimental investigation on combustion and emission characteristics of compression ignition engine using diesel as pilot fuel and methane, hydrogen and methane/hydrogen mixture as gaseous fuels at 1800 rev min-1. The effect of gaseous fuel on peak cylinder pressure and heat release is modest at low to medium loads. At high load, the high combustion temperature and high quantity of pilot fuel contribute to better combustion efficiency for all kinds of gaseous fuels and increases the peak cylinder pressure. Enrichment of hydrogen in methane gradually increases the peak cylinder pressure. The brake thermal efficiency increases with higher hydrogen fraction at lower loads. Hydrogen addition in methane contributed to a proportional reduction of CO/CO2/HC emission without penalty of NOx. For particulate emission, methane and hydrogen, could both suppress the particle emission. 30% hydrogen fraction in methane is observed to be best in reducing the particulate emission.

Keywords: Combustion characteristics, diesel engine, emissions, methane/hydrogen mixture.

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Authors: Masaki Tajima, Kenji Imou, Shinya Yokoyama

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It was determined that woody biomass and livestock excreta can be utilized as hydrogen resources and hydrogen produced from such sources can be used to fill fuel cell vehicles (FCVs) at hydrogen stations. It was shown that the biomass transport costs for hydrogen production may be reduced the costs for co-generation. In the Tokyo Metropolitan Area, there are only a few sites capable of producing hydrogen from woody biomass in amounts greater than 200 m3/h-the scale required for a hydrogen station to be operationally practical. However, in the case of livestock excreta, it was shown that 15% of the municipalities in this area are capable of securing sufficient biomass to be operationally practical for hydrogen production. The differences in feasibility of practical operation depend on the type of biomass.

Keywords: Biomass Resources, Hydrogen Production, Hydrogen Station, Transport Cost.

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Authors: S. Totong, K. Faungnawakij, N. Laosiripojana

Abstract:

The development of alternative energy is interesting in the present especially, hydrogen production because it is an important energy resource in the future. This paper studied the hydrogen production from catalytic dehydrogenation of ethanol through via low temperature (<500°C) reaction. Copper (Cu) and silver (Ag) supported on fumed silica (SiO2) were selected in the present work; in addition, bimetallic material; Ag-Cu supported on SiO2 was also investigated. The catalysts were prepared by the incipient wetness impregnation method and characterized via X-ray diffraction (XRD), temperature-programmed reduction (TPR)and nitrogen adsorption measurements. The catalytic dehydrogenation of ethanol was carried out in a fixed bed continuous flow reactor at atmospheric pressure. The effect of reaction temperature between 300-375°C was studied in order to maximize the hydrogen yield. It was found that Ag-Cu/SiO2 exhibited the highest hydrogen yield compared to Ag/SiO2 and Cu/SiO2 at low reaction temperature (300°C) with full ethanol conversion. The highest hydrogen yield observed was 40% and will be further used as a reactant in fuel cells to generate electricity or feedstock of chemical production. 

Keywords: Catalyst, dehydrogenation, ethanol, hydrogen production.

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Authors: V. Karri, W. K. Yap, J. Titchen

Abstract:

A renewable energy system discussed in this paper is a stand-alone wind-hydrogen system for a remote island in Australia. The analysis of an existing wind-diesel power system was performed. Simulation technique was used to model the power system currently employed on the island, and simulated different configurations of additional hydrogen energy system. This study aims to determine the suitable hydrogen integrated configuration to setting up the prototype system for the island, which helps to reduce the diesel consumption on the island. A set of configurations for the hydrogen system and associated parameters that consists of wind turbines, electrolysers, hydrogen internal combustion engines, and storage tanks has been purposed. The simulation analyses various configurations that perfectly balances the system to meet the demand on the island.

Keywords: Hydrogen power systems, hydrogen internal combustion engine, modeling and simulation of hydrogen power systems.

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Authors: Junjie Chen, Deguang Xu

Abstract:

Transient simulation of the hydrogen-assisted self-ignition of propane-air mixtures were carried out in platinum-coated micro-channels from ambient cold-start conditions, using a two-dimensional model with reduced-order reaction schemes, heat conduction in the solid walls, convection and surface radiation heat transfer. The self-ignition behavior of hydrogen-propane mixed fuel is analyzed and compared with the heated feed case. Simulations indicate that hydrogen can successfully cause self-ignition of propane-air mixtures in catalytic micro-channels with a 0.2 mm gap size, eliminating the need for startup devices. The minimum hydrogen composition for propane self-ignition is found to be in the range of 0.8-2.8% (on a molar basis), and increases with increasing wall thermal conductivity, and decreasing inlet velocity or propane composition. Higher propane-air ratio results in earlier ignition. The ignition characteristics of hydrogen-assisted propane qualitatively resemble the selectively inlet feed preheating mode. Transient response of the mixed hydrogen- propane fuel reveals sequential ignition of propane followed by hydrogen. Front-end propane ignition is observed in all cases. Low wall thermal conductivities cause earlier ignition of the mixed hydrogen-propane fuel, subsequently resulting in low exit temperatures. The transient-state behavior of this micro-scale system is described, and the startup time and minimization of hydrogen usage are discussed.

Keywords: Micro-combustion, Self-ignition, Hydrogen addition, Heat transfer, Catalytic combustion, Transient simulation.

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Authors: Hamoud Al-Hadrami, Hossein Emadi, Athar Hussain

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Green hydrogen is quickly emerging as a new source of the renewable energy for the world. Hydrogen production using water electrolysis is deemed as an environmentally friendly and safe source of energy for transportation and other industries. However, storing high volumes of hydrogen seems to be a significant challenge. Abandoned hydrocarbon reservoirs are considered as viable hydrogen storage options because of the availability of the required infrastructure such as wells and surface facilities. However, long-term wellbore integrity in these wells could be a serious challenge. The aim of this research is to investigate the effect of stored hydrogen on the wellbore integrity such as casing cement. The methodology is to experimentally expose hydrogen to wet and dry cement and measure the impact on cement rheological and mechanical properties. Hydrogen reduces the compressive strength of a set cement if it gets in contact with the cement slurry. Also, mixing hydrogen with cement slurry slightly increases its density and rheological properties which need to be considered to have a successful primary cementing operation.

Keywords: Green hydrogen, underground storage, wellbore integrity, cement, compressive strength.

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Authors: Julian David Hunt, Andreas Nascimento

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Green hydrogen is the most environmental, renewable alternative to produce hydrogen. However, an important challenge to make hydrogen a competitive energy carrier is a constant supply of renewable energy, such as solar, wind and hydropower. Given that the electricity generation potential of these sources vary seasonally and interannually, this paper proposes installing an electrolysis hydrogen production plant in a ship and move the ship to the locations where electricity is cheap, or where the seasonal potential for renewable generation is high. An example of electrolysis ship application is to produce green hydrogen with hydropower from the North region of Brazil and then sail to the Northeast region of Brazil and generate hydrogen using excess electricity from offshore wind power. The electrolysis ship concept is interesting because it has the flexibility to produce green hydrogen using the cheapest renewable electricity available in the market.

Keywords: Green hydrogen, electrolysis ship, renewable energies, seasonal variations.

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Authors: Hendrick Maxil Zárate Rocha, Ricardo da Silva Pereira, Manoel Fernandes Martins Nogueira, Carlos R. Pereira Belchior, Maria Emilia de Lima Tostes

Abstract:

This study investigates experimentally the effects of hydrogen addition in the intake manifold of a diesel generator operating with a 7% biodiesel-diesel oil blend (B7). An experimental apparatus setup was used to conduct performance and emissions tests in a single cylinder, air cooled diesel engine. This setup consisted of a generator set connected to a wirewound resistor load bank that was used to vary engine load. In addition, a flowmeter was used to determine hydrogen volumetric flowrate and a digital anemometer coupled with an air box to measure air flowrate. Furthermore, a digital precision electronic scale was used to measure engine fuel consumption and a gas analyzer was used to determine exhaust gas composition and exhaust gas temperature. A thermopar was installed near the exhaust collection to measure cylinder temperature. In-cylinder pressure was measured using an AVL Indumicro data acquisition system with a piezoelectric pressure sensor. An AVL optical encoder was installed in the crankshaft and synchronized with in-cylinder pressure in real time. The experimental procedure consisted of injecting hydrogen into the engine intake manifold at different mass concentrations of 2,6,8 and 10% of total fuel mass (B7 + hydrogen), which represented energy fractions of 5,15, 20 and 24% of total fuel energy respectively. Due to hydrogen addition, the total amount of fuel energy introduced increased and the generators fuel injection governor prevented any increases of engine speed. Several conclusions can be stated from the test results. A reduction in specific fuel consumption as a function of hydrogen concentration increase was noted. Likewise, carbon dioxide emissions (CO2), carbon monoxide (CO) and unburned hydrocarbons (HC) decreased as hydrogen concentration increased. On the other hand, nitrogen oxides emissions (NOx) increased due to average temperatures inside the cylinder being higher. There was also an increase in peak cylinder pressure and heat release rate inside the cylinder, since the fuel ignition delay was smaller due to hydrogen content increase. All this indicates that hydrogen promotes faster combustion and higher heat release rates and can be an important additive to all kind of fuels used in diesel generators.

Keywords: Diesel engine, hydrogen, dual fuel, combustion analysis, performance, emissions.

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Authors: J. Miao, C. W. Leung, C. S. Cheung, R. C. K. Leung

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The present project was conducted with the circumferential-fuel-jets inverse diffusion flame (CIDF) burner burning liquefied petroleum gas (LPG) enriched with 50% of hydrogen fuel (H2). The range of stable operation of the CIDF burner in terms of Reynolds number (from laminar to turbulent flow regions), equivalence ratio and fuel jet velocity of LPG of the 50% H2-LPG mixed fuel was identified. Experiments were also carried out to investigate the flame structures of the LPG flame and LPG enriched H2 flame. Experimental results obtained from these two flames were compared to fully explore the influence of hydrogen addition on flame stability. Flame heights obtained by burning these two kinds of fuels at various equivalence ratios were compared and correlated with the Global Momentum Ratio (GMR).

Keywords: Flame stability, hydrogen enriched LPG, inverse diffusion flame.

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Authors: Abdulla Rahil, Rupert Gammon, Neil Brown

Abstract:

The rapid growth of renewable energy sources and their integration into the grid have been motivated by the depletion of fossil fuels and environmental issues. Unfortunately, the grid is unable to cope with the predicted growth of renewable energy which would lead to its instability. To solve this problem, energy storage devices could be used. Electrolytic hydrogen production from an electrolyser is considered a promising option since it is a clean energy source (zero emissions). Choosing flexible operation of an electrolyser (producing hydrogen during the off-peak electricity period and stopping at other times) could bring about many benefits like reducing the cost of hydrogen and helping to balance the electric systems. This paper investigates the price of hydrogen during flexible operation compared with continuous operation, while serving the customer (hydrogen filling station) without interruption. The optimization algorithm is applied to investigate the hydrogen station in both cases (flexible and continuous operation). Three different scenarios are tested to see whether the off-peak electricity price could enhance the reduction of the hydrogen cost. These scenarios are: Standard tariff (1 tier system) during the day (assumed 12 p/kWh) while still satisfying the demand for hydrogen; using off-peak electricity at a lower price (assumed 5 p/kWh) and shutting down the electrolyser at other times; using lower price electricity at off-peak times and high price electricity at other times. This study looks at Derna city, which is located on the coast of the Mediterranean Sea (32° 46′ 0 N, 22° 38′ 0 E) with a high potential for wind resource. Hourly wind speed data which were collected over 24½ years from 1990 to 2014 were in addition to data on hourly radiation and hourly electricity demand collected over a one-year period, together with the petrol station data.

Keywords: Hydrogen filling station off-peak electricity, renewable energy, off-peak electricity, electrolytic hydrogen.

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Authors: Panhathai Buasri

Abstract:

Hydrogen that used as fuel in fuel cell vehicles can be produced from renewable sources such as wind, solar, and hydro technologies. PV-electrolyzer is one of the promising methods to produce hydrogen with zero pollution emission. Hydrogen production from a PV-electrolyzer system depends on the efficiency of the electrolyzer and photovoltaic array, and sun irradiance at that site. In this study, the amount of hydrogen is obtained using mathematical equations for difference driving distance and sun peak hours. The results show that the minimum of 99 PV modules are used to generate 1.75 kgH2 per day for two vehicles.

Keywords: About four key words or phrases in alphabetical order, separated by commas.

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Authors: Thipsalin Poontaweegeratigarn, Sumaeth Chavadej, Pramoch Rangsunvigit

Abstract:

In this work, biohydrogen production via dark fermentation from alcohol wastewater using upflow anaerobic sludge blanket reactors (UASB) with a working volume of 4 L was investigated to find the optimum conditions for a maximum hydrogen yield. The system was operated at different COD loading rates (23, 31, 46 and 62 kg/m3d) at mesophilic temperature (37 ºC) and pH 5.5. The seed sludge was pretreated before being fed to the UASB system by boiling at 95 ºC for 15 min. When the system was operated under the optimum COD loading rate of 46 kg/m3d, it provided the hydrogen content of 27%, hydrogen yield of 125.1 ml H2/g COD removed and 95.1 ml H2/g COD applied, hydrogen production rate of 18 l/d, specific hydrogen production rate of 1080 ml H2/g MLVSS d and 1430 ml H2/ L d, and COD removal of 24%.

Keywords: Hydrogen production, Upflow anaerobic sludge blanket reactor (UASB), Optimum condition, Alcohol wastewater

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Authors: H. Wasag

Abstract:

The removal of hydrogen sulphide is required for reasons of health, odour problems, safety and corrosivity problems. The means of removing hydrogen sulphide mainly depend on its concentration and kind of medium to be purified. The paper deals with a method of hydrogen sulphide removal from the air by its catalytic oxidation to elemental sulphur with the use of Fe-EDTA complex. The possibility of obtaining fibrous filtering materials able to remove small concentrations of H2S from the air were described. The base of these materials is fibrous ion exchanger with Fe(III)- EDTA complex immobilized on their functional groups. The complex of trivalent iron converts hydrogen sulphide to elemental sulphur. Bivalent iron formed in the reaction is oxidized by the atmospheric oxygen, so complex of trivalent iron is continuously regenerated and the overall process can be accounted as pseudocatalytic. In the present paper properties of several fibrous catalysts based on ion exchangers with different chemical nature (weak acid,weak base and strong base) were described. It was shown that the main parameters affecting the process of catalytic oxidation are:concentration of hydrogen sulphide in the air, relative humidity of the purified air, the process time and the content of Fe-EDTA complex in the fibres. The data presented show that the filtering layers with anion exchange package are much more active in the catalytic processes of hydrogen sulphide removal than cation exchanger and inert materials. In the addition to the nature of the fibres relative air humidity is a critical factor determining efficiency of the material in the air purification from H2S. It was proved that the most promising carrier of the Fe-EDTA catalyst for hydrogen sulphide oxidation are Fiban A-6 and Fiban AK-22 fibres.

Keywords: hydrogen sulphide, catalytic oxidation, odour control, ion exchange, fibrous ion exchangers, air deodorization

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Authors: J. H. Choi, S. J. Kim, M. S. Jung, S. J. Kim, S. J. Joo, S. C. Kim

Abstract:

There are a many of needs for the development of SiC-based hydrogen sensor for harsh environment applications. We fabricated and investigated Pd/Ta2O5/SiC-based hydrogen sensors with MOS capacitor structure for high temperature process monitoring and leak detection applications in such automotive, chemical and petroleum industries as well as direct monitoring of combustion processes. In this work, we used silicon carbide (SiC) as a substrate to replace silicon which operating temperatures are limited to below 200°C. Tantalum oxide was investigated as dielectric layer which has high permeability for hydrogen gas and high dielectric permittivity, compared with silicon dioxide or silicon nitride. Then, electrical response properties, such as I-V curve and dependence of capacitance on hydrogen concentrations were analyzed in the temperature ranges of room temperature to 500°C for performance evaluation of the sensor.

Keywords: High temperature, hydrogen sensor, SiC, Ta2O5 dielectric layer.

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Authors: H. Dehghan, E. Mahdavi, M. M. Heyhat

Abstract:

In pressure vessels contain hydrogen, the role of hydrogen will be important because of hydrogen cracking problem. It is difficult to predict what is happened in metallurgical field spite of a lot of studies have been searched. The main role in controlling the mass diffusion as driving force is related to stress. In this study, finite element analysis is implemented to estimate material-s behavior associated with hydrogen embrittlement. For this purpose, one model of a pressure vessel is introduced that it has definite boundary and initial conditions. In fact, finite element is employed to solve the sequentially coupled mass diffusion with stress near a crack front in a pressure vessel. Modeling simulation intergrarnular fracture of AISI 4135 steel due to hydrogen is investigated. So, distribution of hydrogen and stress are obtained and they indicate that their maximum amounts occur near the crack front. This phenomenon is happened exactly the region between elastic and plastic field. Therefore, hydrogen is highly mobile and can diffuse through crystal lattice so that this zone is potential to trap high volume of hydrogen. Consequently, crack growth and fast fracture will be happened.

Keywords: Stress Intensity Factor, Mass Diffusion, FEM, Pressure Vessel

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Authors: Emilio Delgado, William Aperador, Alis Pataquiva

Abstract:

Biomass is becoming a large renewable resource for power generation; it is involved in higher frequency in environmentally clean processes, and even it is used for biofuels preparation. On the other hand, hydrogen – other energy source – can be produced in a variety of methods including gasification of biomass. In this study, the production of hydrogen by gasification of biomass waste is examined. This work explores the production of a gaseous mixture with high power potential from Amazonas´ specie known as copoazu, using a counter-flow fixed-bed bioreactor.

Keywords: Copoazu, Gasification, Hydrogen production.

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Authors: S. Heydarian

Abstract:

Proton transfer and hydrogen bonding are two aspects of the chemistry of hydrogen that respectively govern the behaviour and structure of many molecules, both simple and complex. All the theoretical enol and keto conformations of 1,3-diphenyl-1,3- propandion known as dibenzoylmethane (DBM), have been investigated by means of atoms in molecules (AIM) theory. It was found that the most stable conformers are those stabilized by hydrogen bridges.The aim of the present paper is a thorough conformational analysis of DBM (with special attention on chelated cis-enol conformers) in order to obtain detailed information on the geometrical parameters, relative stabilities and rotational motion of the phenyl groups. It is also important to estimate the barrier height for ptoton transfer and hydrogen bond strength, which are the main factors governing conformational stability.

Keywords: Acetylacetone, Atoms in molecules, Dibenzoylmethane, Intramolecular hydrogen bond, Resonanceconjugation

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Authors: Bashir Ahmmad, Kensaku Kanomata, Fumihiko Hirose

Abstract:

The effect of carbon materials on TiO₂ for the photocatalytic hydrogen gas production from water / alcohol mixtures was investigated. Single walled carbon nanotubes (SWNTs), multi walled carbon nanotubes (MWNTs), carbon nanofiber (CNF), fullerene (FLN), graphite (GP), and graphite silica (GS) were used as co-catalysts by directly mixing with TiO₂. Drastic synergy effects were found with increase in the amount of hydrogen gas by a factor of ca. 150 and 100 for SWNTs and GS with TiO₂, respectively. Moreover, the increment factor of hydrogen production reached to 180, when the mixture of SWNTs and TiO₂ were smashed in an agate mortar before photocatalytic reactions. The order of H₂ gas production for these carbon materials was SWNTs > GS >> MWNTs > FLN > CNF > GP. To maximize the hydrogen production from SWNTs/TiO₂, various parameters of experimental condition were changed. Also, a comparison between Pt/TiO₂, SWNTs/TiO₂ and GS/TiO₂ was made for the amount of H₂ gas production. Finally, the recyclability of SWNTs/TiO₂or GS/TiO₂ was tested.

Keywords: Photocatalysis, carbon materials, alcohol reforming, hydrogen production, titanium oxide.

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Authors: Setareh Shekarsaraei, Marjan Moridi, Nasser L. Hadipour

Abstract:

In this study, nuclear magnetic resonance spectroscopy and nuclear quadrupole resonance spectroscopy parameters of 14N (Nitrogen in imidazole ring) in N–H…O hydrogen bonding for Histidine hydrochloride monohydrate were calculated via density functional theory. We considered a five-molecule model system of Histidine hydrochloride monohydrate. Also we examined the trends of environmental effect on hydrogen bonds as well as cooperativity. The functional used in this research is M06-2X which is a good functional and the obtained results has shown good agreement with experimental data. This functional was applied to calculate the NMR and NQR parameters. Some correlations among NBO parameters, NMR and NQR parameters have been studied which have shown the existence of strong correlations among them. Furthermore, the geometry optimization has been performed using M062X/6-31++G(d,p) method. In addition, in order to study cooperativity and changes in structural parameters, along with increase in cluster size, natural bond orbitals have been employed.

Keywords: Hydrogen bonding, Density Functional Theory (DFT), Natural bond Orbitals (NBO), cooperativity effects.

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Authors: A. R. Shahani, E. Mahdavi, M. Amidpour

Abstract:

Hydrogen diffusion is the main problem for corrosion fatigue in corrosive environment. In order to analyze the phenomenon, it is needed to understand their behaviors specially the hydrogen behavior during the diffusion. So, Hydrogen embrittlement and prediction its behavior as a main corrosive part of the fractions, needed to solve combinations of different equations mathematically. The main point to obtain the equation, having knowledge about the source of causing diffusion and running the atoms into materials, called driving force. This is produced by either gradient of electrical or chemical potential. In this work, we consider the gradient of chemical potential to obtain the property equation. In diffusion of atoms, some of them may be trapped but, it could be ignorable in some conditions. According to the phenomenon of hydrogen embrittlement, the thermodynamic and chemical properties of hydrogen are considered to justify and relate them to fracture mechanics. It is very important to get a stress intensity factor by using fugacity as a property of hydrogen or other gases. Although, the diffusive behavior and embrittlement event are common and the same for other gases but, for making it more clear, we describe it for hydrogen. This considering on the definite gas and describing it helps us to understand better the importance of this relation.

Keywords: Hydrogen embrittlement, Fracture mechanics, Thermodynamic, Stress intensity factor.

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