Search results for: Hydrogen bonding
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 348

Search results for: Hydrogen bonding

348 A Computational Study of N–H…O Hydrogen Bonding to Investigate Cooperative Effects

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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347 Application of Computational Methods Mm2 and Gussian for Studing Unimolecular Decomposition of Vinil Ethers based on the Mechanism of Hydrogen Bonding

Authors: Behnaz Shahrokh, Garnik N. Sargsyan, Arkadi B. Harutyunyan

Abstract:

Investigations of the unimolecular decomposition of vinyl ethyl ether (VEE), vinyl propyl ether (VPE) and vinyl butyl ether (VBE) have shown that activation of the molecule of a ether results in formation of a cyclic construction - the transition state (TS), which may lead to the displacement of the thermodynamic equilibrium towards the reaction products. The TS is obtained by applying energy minimization relative to the ground state of an ether under the program MM2 when taking into account the hydrogen bond formation between a hydrogen atom of alkyl residue and the extreme atom of carbon of the vinyl group. The dissociation of TS up to the products is studied by energy minimization procedure using the mathematical program Gaussian. The obtained calculation data for VEE testify that the decomposition of this ether may be conditioned by hydrogen bond formation for two possible versions: when α- or β- hydrogen atoms of the ethyl group are bound to carbon atom of the vinyl group. Applying the same calculation methods to other ethers (VPE and VBE) it is shown that only in the case of hydrogen bonding between α-hydrogen atom of the alkyl residue and the extreme atom of carbon of the vinyl group (αH---C) results in decay of theses ethers.

Keywords: Gaussian, MM2, ethers, TS, decomposition

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346 Void-Free Bonding of Si/Ti/Ni Power Integrated Circuit Chips with Direct Bonding Copper Alumina Substrates through Ag3Sn Intermetallic Interlayer

Authors: Kuan-Yu Chiu, Yin-Hsuan Chen, Tung-Han Chuang

Abstract:

Ti/Ni/Ag/Sn-metallized Si chips were bonded to Ni/Pd/Au-surface finished DBC (Direct Bonding Copper) alumina substrate through the formation of an Ag3Sn intermetallic interlayer by solid–liquid interdiffusion bonding method. The results indicated that the holes and gaps at the bonding interface could be effectively prevented. The intermetallic phases at the bonding interface between the Si/Ti/Ni/Ag/Sn wafer and the DBC substrate were identified as Ag3Sn, Ni3Sn4, and Ni3Sn2. The average bonding strength was about 19.75 MPa, and the maximum bonding strength reached 35.24 MPa.

Keywords: BGBM, Backside Grinding and Backside Metallization, SLID bonding, Solid–liquid Interdiffusion Bonding, Si/Ti/Ni/Sn, Si/Ti/Ni/Ag/Sn, intermetallic compound.

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345 Atoms in Molecules, An Other Method For Analyzing Dibenzoylmethane

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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344 Removal of Ciprofloxazin and Carbamazepine by Adsorption on Functionalized Mesoporous Silicates

Authors: Patiparn Punyapalakul, Thitikamon Sitthisorn

Abstract:

Ciprofloxacin (CIP) and Carbamazepine (CBZ), nonbiodegradable pharmaceutical residues, were become emerging pollutants in several aquatic environments. The objectives of this research were to study the possibility to recover these pharmaceuticals residues from pharmaceutical wastewater by increasing the selective adsorption on synthesized functionalized porous silicate, comparing with powdered activated carbon (PAC). Hexagonal mesoporous silicate (HMS), functionalized HMSs (3- aminopropyltriethoxy, 3- mercaptopropyltrimethoxy and noctyldimethyl) were synthesized and characterized physico-chemical characteristics. Obtained adsorption kinetics and isotherms showed that 3-mercaptopropyltrimethoxy functional groups grafted on HMS provided highest CIP and CBZ adsorption capacities; however, it was still lower than that of PAC. The kinetic results were compatible with pseudo-second order. The hydrophobicity and hydrogen bonding might play a key role on the adsorption. Furthermore, the capacities were affected by varying pH values due to the strength of hydrogen bonding between targeted compounds and adsorbents. Electrostatic interaction might not affect the adsorption capacities.

Keywords: Adsorption, Carbamazepine, Ciprofloxazin, Mesoporous Silicates, Surface functional groups

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343 The Interaction between Hydrogen and Surface Stress in Stainless Steel

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

Abstract:

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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342 Hydrogen Integration in Petrochemical Complexes, Using Modified Automated Targeting Method

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

Abstract:

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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341 Carbon Nanotubes–A Successful Hydrogen Storage Medium

Authors: Vijaya Ilango, Avika Gupta

Abstract:

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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340 Numerical Simulation of High Pressure Hydrogen Emerges to Air

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

Abstract:

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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339 Influence of [Emim][OAc] and Water on Gelatinization Process and Interactions with Starch

Authors: Shajaratuldur Ismail, Nurlidia Mansor, Zakaria Man

Abstract:

Thermoplastic starch (TPS) plasticized by 1-ethyl-3-methylimidazolium acetate [Emim][OAc] were obtained through gelatinization process. The gelatinization process occurred in the presence of water and [Emim][OAc] as plasticizer at high temperature (90˚C). The influence of [Emim][OAc] and water on the gelatinization and interactions with starch have been studied over a range of compositions. The homogenous mass was obtained for the samples containing 35, 40 and 43.5 % of water contents which showed that water plays important role in gelatinization process. Detailed IR spectroscopy analysis showed decrease in hydrogen bonding intensity and strong interaction between acetate anion in [Emim][OAc] and starch hydroxyl groups in the presence of [Emim][OAc]. Starch-[Emim][OAc]-water mixture at 10-3-8.7 presented homogenous mass, less hydrogen bonding intensity and strong interaction between acetate anion in [Emim][OAc] and starch hydroxyl groups.

Keywords: Starch, ionic liquid, 1-ethyl-3-methylimidazolium acetate, plasticizer, gelatinization, IR spectroscopy.

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338 Estimation Method for the Construction of Hydrogen Society with Various Biomass Resources in Japan-Project of Cost Reductions in Biomass Transport and Feasibility for Hydrogen Station with Biomass-

Authors: Masaki Tajima, Kenji Imou, Shinya Yokoyama

Abstract:

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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337 Numerical Analysis of Hydrogen Transport using a Hydrogen-Enhanced Localized Plasticity Mechanism

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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336 Effects of TiO2 and Nb2O5 on Hydrogen Desorption of Mg(BH4)2

Authors: Wipada Ploysuksai, Pramoch Rangsunvigit, Santi Kulprathipanja

Abstract:

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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335 Family Bonding and Self-Concept: An Indirect Effect Mediated by School Experiences among Students

Authors: Z. Ishak, F.P Chew

Abstract:

School experiences, family bonding and self-concept had always been a crucial factor in influencing all aspects of a student-s development. The purpose of this study is to develop and to validate a priori model of self-concept among students. The study was tested empirically using Structural Equation Modeling (SEM) and Confirmatory Factor Analysis (CFA) to validate the structural model. To address these concerns, 1167 students were randomly selected and utilized the Cognitive Psycho-Social University of Malaya instrument (2009).Resulted demonstrated there is indirect effect from family bonding to self-concept through school experiences among secondary school students as a mediator. Besides school experiences, there is a direct effect from family bonding to self-concept and family bonding to school experiences among students.

Keywords: Confirmatory Factor Analysis, self-concept, family bonding, and school experience

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334 Simulation and Configuration of Hydrogen Assisted Renewable Energy Power System

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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333 Experimental Investigation of the Effect of Hydrogen Manifold Injection on the Performance of Compression Ignition Engines

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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332 Investigating the Effects of Hydrogen on Wet Cement for Underground Hydrogen Storage Applications in Oil and Gas Wells

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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331 Electrolysis Ship for Green Hydrogen Production and Possible Applications

Authors: Julian David Hunt, Andreas Nascimento

Abstract:

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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330 Contaminated Soil Remediation with Hydrogen Peroxide Oxidation

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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329 Photovoltaic Array Sizing for PV-Electrolyzer

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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328 Hydrogen Sensor Based on Surface Activated WO3 Films by Pd Nanoclusters

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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327 Simulation of the Effect of Sea Water Using Ground Tank to the Flexural Capacity of GFRP Sheet Reinforced Concrete Beams

Authors: Rudy Djamaluddin, Arbain Tata, Rita Irmawaty

Abstract:

The study conducted a simulation of the effect of sea water to the bonding capacity of GFRP sheet on the concrete beams using a simulation tank. Fiber reinforced polymer (FRP) has been developed and applied in many fields civil engineering structures on the new structures and also for strengthening of the deteriorated structures. The FRP has advantages such as its corrosion resistance as well as high tensile strength to weight ratio. Compared to the other FRP materials, Glass composed FRP (GFRP) is relatively cheaper. GFRP sheet is applied externally by bonding it on the concrete surface. The studies regarding the application of GFRP sheet have been conducted such as strengthening system, bonding behavior of GFRP sheet including the application as reinforcement in new structures. For application to the structures with direct contact to sea environment, a study regarding the effect of sea water to the bonding capacity of GFRP sheet is important to be clarified. To achieve the objective of the study, a series of concrete beams strengthened with GFRP sheet on extreme tension surface were prepared. The beams then were stored on the sea water tank for six months. Results indicated the bonding capacity decreased after six month exposed to the sea water.

Keywords: GFRP sheet, sea water, concrete beams, bonding.

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326 Hydrogen Production from Alcohol Wastewater by Upflow Anaerobic Sludge Blanket Reactors under Mesophilic Temperature

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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325 Combustion and Emission of a Compression Ignition Engine Fueled with Diesel and Hydrogen-Methane Mixture

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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324 High Temperature Hydrogen Sensors Based On Pd/Ta2O5/SiC MOS Capacitor

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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323 Hydrogen Embrittlement in a Coupled Mass Diffusion with Stress near a Blunting Crack Tip for AISI 4135 Pressure Vessel

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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322 Hydrogen Production by Gasification of Biomass from Copoazu Waste

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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321 Enhanced Photocatalytic Hydrogen Production on TiO2 by Using Carbon Materials

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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320 The Relationship between Fugacity and Stress Intensity Factor for Corrosive Environment in Presence of Hydrogen Embrittlement

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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319 En-Face Optical Coherence Tomography and Fluorescence in Evaluation of Orthodontic Interfaces

Authors: R. O. Rominu, C. Sinescu, D.M. Pop, M. Hughes, A. Bradu, M. Rominu, A. Gh. Podoleanu

Abstract:

Bonding has become a routine procedure in several dental specialties – from prosthodontics to conservative dentistry and even orthodontics. In many of these fields it is important to be able to investigate the bonded interfaces to assess their quality. All currently employed investigative methods are invasive, meaning that samples are destroyed in the testing procedure and cannot be used again. We have investigated the interface between human enamel and bonded ceramic brackets non-invasively, introducing a combination of new investigative methods – optical coherence tomography (OCT), fluorescence OCT and confocal microscopy (CM). Brackets were conventionally bonded on conditioned buccal surfaces of teeth. The bonding was assessed using these methods. Three dimensional reconstructions of the detected material defects were developed using manual and semi-automatic segmentation. The results clearly prove that OCT, fluorescence OCT and CM are useful in orthodontic bonding investigations.

Keywords: Optical coherence tomography, Confocal Microscopy, Orthodontic Bonding.

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