Search results for: Hydrogen sensing

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: H. Akbari Khorami, P. Wild, N. Djilali

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This paper reports on the response of a fiber-optic sensing probe to small concentrations of hydrogen peroxide (H2O2) vapor at room temperature. H2O2 has extensive applications in industrial and medical environments. Conversely, H2O2 can be a health hazard by itself. For example, H2O2 induces cellular damage in human cells and its presence can be used to diagnose illnesses such as asthma and human breast cancer. Hence, development of reliable H2O2 sensor is of vital importance to detect and measure this species. Ferric ferrocyanide, referred to as Prussian Blue (PB), was deposited on the tip of a multimode optical fiber through the single source precursor technique and served as an indicator of H2O2 in a spectroscopic manner. Sensing tests were performed in H2O2-H2O vapor mixtures with different concentrations of H2O2. The results of sensing tests show the sensor is able to detect H2O2 concentrations in the range of 50.6 ppm to 229.5 ppm. Furthermore, the sensor response to H2O2 concentrations is linear in a log-log scale with the adjacent R-square of 0.93. This sensing behavior allows us to detect and quantify the concentration of H2O2 in the vapor phase.

Keywords: Chemical deposition, fiber-optic sensors, hydrogen peroxide vapor, prussian blue.

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Authors: Neena Jaggi, Shivani Dhall

Abstract:

In the present work, hydrogen gas sensor of modest sensitivity utilizing functionalized multiwalled carbon nanotubes partially decorated with tin oxide nanoparticles (F-MWCNTs/SnO2) has been fabricated. This sensing material was characterized by scanning electron microscopy (SEM). In addition, a remarkable finding was that the F-MWCNTs/SnO2 sensor shows good sensitivity as compared to F-MWCNTs for low concentration (0.05-1% by volume) of H2 gas. The fabricated sensors show complete resistance recovery and good repeatability when exposed to H2 gas at the room temperature conditions.

Keywords: F-MWCNTs, SnO2 nanoparticles, Chemiresistor, I-V Characteristics, H2 Sensing.

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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: Mandana Amiri, Sima Nouhi, Yashar Azizan-Kalandaragh

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Silver nanostructures have been successfully fabricated by using electrodeposition method onto indium-tin-oxide (ITO) substrate. Scanning electron microscopy (SEM), electrochemical impedance spectroscopy (EIS) and ultraviolet-visible spectroscopy (UV-Vis) techniques were employed for characterization of silver nanostructures. The results show nanostructures with different morphology and electrochemical properties can be obtained by various the deposition potentials and times. Electrochemical behavior of the nanostructures has been studied by using cyclic voltammetry. Silver nanostructures exhibits good electrocatalytic activity towards the reduction of H₂O₂. The presented electrode can be employed as sensing element for hydrogen peroxide.

Keywords: Electrochemical sensor, electrodeposition, hydrogen peroxide, silver nanostructures.

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

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

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

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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: Hamoud Al-Hadrami, Hossein Emadi, Athar Hussain

Abstract:

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

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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: D. Gouwanda, S. M. N. A. Senanayake

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This paper presents a real time force sensing instrument that is designed for human gait analysis purposes. It is capable of recording and monitoring ground reaction forces exerted by human foot during various activities such as walking, running and jumping in real time. In overall, force sensing mat mainly consists of three elements: the force sensing mat, signal conditioning circuit and data acquisition device. Force sensing mat is the mat that contains an array of force sensing elements. To control and process the incoming signal from the force sensing mat, Force-Logger and Force-Reloader are developed using National Instrument Labview. This paper describes the architecture of the force sensing mat, signal conditioning circuit and the real time streaming of the incoming data from the force sensing mat. Additionally, a preliminary experiment dataset is presented in this paper.

Keywords: Force platform, force sensing resistor, human gait analysis.

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Authors: Jung-Chuan Chou, Cheng-Wei Chen

Abstract:

The hard clam (meretrix lusoria) cultivated industry has been developed vigorously for recent years in Taiwan, and seawater quality determines the cultivated environment. The pH concentration variation affects survival rate of meretrix lusoria immediately. In order to monitor seawater quality, solid-state sensing electrode of ruthenium-doped titanium dioxide (TiO2:Ru) is developed to measure hydrogen ion concentration in different cultivated solutions. Because the TiO2:Ru sensing electrode has high chemical stability and superior sensing characteristics, thus it is applied as a pH sensor. Response voltages of TiO2:Ru sensing electrode are readout by instrument amplifier in different sample solutions. Mean sensitivity and linearity of TiO2:Ru sensing electrode are 55.20 mV/pH and 0.999 from pH1 to pH13, respectively. We expect that the TiO2:Ru sensing electrode can be applied to real environment measurement, therefore we collect two sample solutions by different meretrix lusoria cultivated ponds in the Yunlin, Taiwan. The two sample solutions are both measured for 200 seconds after calibration of standard pH buffer solutions (pH7, pH8 and pH 9). Mean response voltages of sample 1 and sample 2 are -178.758 mV (Standard deviation=0.427 mV) and -180.206 mV (Standard deviation =0.399 mV), respectively. Response voltages of the two sample solutions are between pH 8 and pH 9 which conform to weak alkali range and suitable meretrix lusoria growth. For long-term monitoring, drift of cultivated solutions (sample 1 and sample 2) are 1.16 mV/hour and 1.03 mV/hour, respectively.

Keywords: Co-sputtering system, Hard clam (meretrix lusoria), Ruthenium-doped titanium dioxide, Solid-state sensing electrode.

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Authors: K. Kajsanthia, J. Wittayakun, S. Prayoonpokarach

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An optical chemical sensing film based on immobilizing of 1,1′- diethyl 2,2′-cyanine (pseudocyanine iodide) in nafion film was developed for the determination of Fe(III). The sensing film was homogeneous, transparent, and mechanically stable. Decrease of the absorbance measured at 518 nm was observed when the sensing film was immersed in a solution of Fe(III). The optimum response of the sensing film to Fe(III) was obtained in a solution with pH 4.0. Linear calibration curve over an Fe(III) concentration range of 1-30 ppm with a limit of detection of 0.71 ppm was obtained. Cd(II) is the major interference. The sensing film exhibited good stability for 2 months and high reproducibility. The proposed method was applied for the determination of Fe(III) in water samples with satisfactory results.

Keywords: iron(III), _nafion, optical sensing film, pseudocyanine iodide

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Authors: M. S. Al-Assiri, M. M. El-Desoky, Ahmed A. Ibrahim, M. Abaker, A. A. Bahgat

Abstract:

Nanocrystalline thin film of Na0.1V2O5.nH2O xerogel obtained by sol gel synthesis was used as gas sensor. Gas sensing properties of different gases such as hydrogen, petroleum and humidity were investigated. Applying XRD and TEM the size of the nanocrystals is found to be 7.5 nm. SEM shows a highly porous structure with submicron meter-sized voids present throughout the sample. FTIR measurement shows different chemical groups identifying the obtained series of gels. The sample was n-type semiconductor according to the thermoelectric power and electrical conductivity. It can be seen that the sensor response curves from 130oC to 150oC show a rapid increase in sensitivity for all types of gas injection, low response values for heating period and the rapid high response values for cooling period. This result may suggest that this material is able to act as gas sensor during the heating and cooling process.

Keywords: Sol gel, Thermoelectric power, XRD, TEM, Gas sensing.

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Authors: Mahdi Pirmoradian, Olayinka Adigun, Christos Politis

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Cooperative spectrum sensing is a crucial challenge in cognitive radio networks. Cooperative sensing can increase the reliability of spectrum hole detection, optimize sensing time and reduce delay in cooperative networks. In this paper, an efficient central capacity optimization algorithm is proposed to minimize cooperative sensing time in a homogenous sensor network using OR decision rule subject to the detection and false alarm probabilities constraints. The evaluation results reveal significant improvement in the sensing time and normalized capacity of the cognitive sensors.

Keywords: Cooperative networks, normalized capacity, sensing time.

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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: Hidetoshi Nonaka, Masahito Kurihara

Abstract:

In this paper, an authentication system using keystroke dynamics is presented. We introduced pressure sensing for the improvement of the accuracy of measurement and durability against intrusion using key-logger, and so on, however additional instrument is needed. As the result, it has been found that the pressure sensing is also effective for estimation of real moment of keystroke.

Keywords: Biometric authentication, Keystroke dynamics, Pressure sensing, Time-frequency analysis.

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Authors: Darwin Gouwanda, S. M. N. Arosha Senanayake, M. M. Danushka Ranjana Marasinghe, Mervin Chandrapal, Jeya Mithra Kumar, Tung Mun Hon, Yulius

Abstract:

This paper presents a real time force sensing instrument that is designed for human gait analysis purposes. This instrument mainly consists of three main elements: the force sensing mat, signal conditioning and switching circuit and data acquisition device. In order to control and to process the incoming signals from the force sensing mat, Force-Logger and Force-Reloader program are developed using Labview 8.0. This paper describes the architecture of the force sensing mat, signal conditioning and switching circuit and the real time streaming of the incoming data from the force sensing mat.

Keywords: Force platform, Force sensing resistor, human gait analysis

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

Abstract:

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: 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

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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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