Search results for: Hydrogen bonding

Authors: Anil Kumar, C. Nagaraja Kumar

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The position and momentum space information entropies of hydrogen atom are exactly evaluated. Using isospectral Hamiltonian approach, a family of isospectral potentials is constructed having same energy eigenvalues as that of the original potential. The information entropy content is obtained in position space as well as in momentum space. It is shown that the information entropy content in each level can be re-arranged as a function of deformation parameter.

Keywords: Information Entropy, BBM inequality, Isospectral Potential.

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Authors: Almudena Aguinaco, Olga Gimeno, Fernando J. Beltrán, Juan José P. Sagasti

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A sequential treatment of ozonation followed by a Fenton or photo-Fenton process, using black light lamps (365 nm) in this latter case, has been applied to remove a mixture of pharmaceutical compounds and the generated by-products both in ultrapure and secondary treated wastewater. The scientifictechnological innovation of this study stems from the in situ generation of hydrogen peroxide from the direct ozonation of pharmaceuticals, and can later be used in the application of Fenton and photo-Fenton processes. The compounds selected as models were sulfamethoxazol and acetaminophen. It should be remarked that the use of a second process is necessary as a result of the low mineralization yield reached by the exclusive application of ozone. Therefore, the influence of the water matrix has been studied in terms of hydrogen peroxide concentration, individual compound concentration and total organic carbon removed. Moreover, the concentration of different iron species in solution has been measured.

Keywords: Fenton, photo-Fenton, ozone, pharmaceutical compounds, hydrogen peroxide, water treatment

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Authors: Yuling Xu, Haibo Wang, Dong Xie

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A photopolymerizable dimethacrylamide was synthesized and copolymerized with the selected (meth)acrylates. The polymerization rate, degree of conversion, gel time, and compressive strength of the formed neat resins were investigated. The results show that in situ photo-polymerization of the synthesized dimethacrylamide with comonomers having an electron-withdrawing and/or acrylate group dramatically increased the polymerization rate, degree of conversion, and compressive strength. On the other hand, an electron-donating group on either carbon-carbon double bond or the ester linkage slowed down the polymerization. In contrast, the triethylene glycol dimethacrylate-based system did not show a clear pattern. Both strong hydrogen-bonding between (meth)acrylamide and organic acid groups may be responsible for higher compressive strengths. Within the limitation of this study, the photo-polymerization of dimethacrylamide can be greatly accelerated by copolymerization with monomers having electron-withdrawing and/or acrylate groups. The monomers with methacrylate group can significantly reduce the polymerization rate and degree of conversion.

Keywords: Photopolymerization, dimethacrylamide, degree of conversion, compressive strength.

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Authors: Volker Wannack

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Regional and global strategies focusing on hydrogen (H2) and blockchain technologies are fueling remarkable advancements. These strategies underpin the revolutionary 'Blockchain Based Hydrogen Market (BBH2)' project, with the primary objective of creating a Blockchain Minimum Viable Product (B-MVP) tailored to the hydrogen market. The B-MVP harnesses blockchain's capabilities, establishing a unified platform for secure, automated transactions via smart contracts. This innovation promises to reshape hydrogen logistics, trade, and transactions. The B-MVP carries transformative potential across diverse sectors, benefiting renewable energy producers, surplus energy-based hydrogen manufacturers, grid operators, and consumers. By implementing standardized, automated, tamper-proof processes, it bolsters cost-efficiency and enables transparent, traceable transactions. Its core mission is to verify the integrity of 'green' hydrogen, tracing its journey from renewable producers to end-users. This emphasis on transparency fosters economic, ecological, and social sustainability within a secure, transparent market. A standout feature of the B-MVP is its cross-border adaptability, obviating the need for nation-specific data storage, and broadening its global reach. This adaptability also spurs long-term job creation by establishing a dedicated blockchain operating firm. By attracting skilled labor and offering training, the B-MVP fortifies the hydrogen sector's workforce. Furthermore, it catalyzes innovative business models, luring more companies and startups, contributing to sustained job growth. For example, data analysis can tailor tariffs to offer demand-centric network capacities to producers and operators, providing tamper-proof pricing options to redistributors and end-customers. Beyond technological and economic progress, the B-MVP amplifies the prominence of national and international standards efforts. The region implementing the B-MVP becomes recognized as a pioneer in climate-friendly, sustainable, and forward-thinking practices, generating interest and attention beyond its geographic boundaries. Additionally, it fosters knowledge transfer between academia and industry, promoting scientific advancements, aligning with innovation management, and nurturing an innovation culture in the hydrogen sector. Through blockchain-hydrogen integration, the B-MVP champions comprehensive innovation, contributing to a sustainable future in the hydrogen industry. Implementation involves evaluating blockchain tech, developing smart contracts, and ensuring interoperability with existing systems. Scalability testing and data format development further validate the B-MVP's potential. BBH2 secures funding under the 'Technology Offensive Hydrogen,' a part of the Federal Ministry of Economics and Climate Protection's 7th Energy Research Program.

Keywords: Hydrogen, blockchain, sustainability, structural change.

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Authors: Sunil Dehipawala, Aregama Sirisumana, P. Schneider, G. Tremberger Jr, D. Lieberman, Todd Holden T. Cheung

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The arsenic and iron environments in different growth stages have been studied with EXAFS and XANES using Brookhaven Synchrotron Light Source. Collard Greens plants were grown and tissue samples were harvested. The project studied the EXAFS and XANES of tissue samples using As and Fe K-edges. The Fe absorption and the Fourier transform bond length information were used as a control comparison. The Fourier transform of the XAFS data revealed the coexistence of As (III) and As (V) in the As bonding environment inside the studied plant tissue samples, although the soil only had As (III). The data suggests that Collard Greens has a novel pathway to handle arsenic absorption in soil.

Keywords: EXAFS, Fourier Transform, metalloproteins, XANES.

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Authors: Kaveh PourAkbar Saffar, Nima JamilPour, Ahmad Raeisi Najafi, Gholamreza Rouhi, Ahmad Reza Arshi, Abdolhossein Fereidoon

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The presence of chemical bonding between functionalized carbon nanotubes and matrix in carbon nanotube reinforced composites is modeled by elastic beam elements representing covalent bonding characteristics. Neglecting other reinforcing mechanisms in the composite such as relatively weak interatomic Van der Waals forces, this model shows close results to the Rule of Mixtures model-s prediction for effective Young-s modulus of a Representative Volume Element of composite for small volume fractions (~1%) and high aspect ratios (L/D>200) of CNTs.

Keywords: Beam Element, Carbon Nanotube Reinforced Composite, Cross-link, Young's modulus.

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Authors: D. Selvi Gökkaya, M. Yüksel, M. Sağlam, T. Güngören Madenoğlu, N. Cengiz, T. Çokkuvvetli, L. Ballice

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In this study, production possibilities of hydrogen and/or methane via SCWG from black grape residues have been investigated. For this aim, grape residues which remain as a byproduct of the wine making process have been used. Since utilization from grape residues is limited due to the high moisture content, supercritical water gasification is the most convenient method. The effect of the gasification temperature and type of catalyst on supercritical water gasification have been investigated. Gasification experiments were performed in a batch autoclave at four different temperatures 300, 400, 500 and 600°C. K2CO3 and Trona (NaHCO3.Na2CO3·2H2O) were used as catalyst. Real biomass types of black grape residues have been successfully gasified and the product gas (hydrogen, methane, carbon dioxide, carbon monoxide and a small amount of ethane and ethylene) were identified by using gas chromatography. A TOC analyzer was used to determine total organic carbon (TOC) content of aqueous phase. The amounts of carboxylic acids, aldehydes, ketones, furfurals and phenols present in the aqueous solutions were analyzed by high performance liquid chromatography. When the temperature increased from 300°C to 600°C, mol% of H2 in gas products increased. The presence of catalysts improves the hydrogen yield. Trona showed gasification activity to be similar to that of K2CO3. It may be concluded that the use of Trona instead of commercially produced catalysts, can be preferably used in the gasification of biomass in supercritical water.

Keywords: Biomass, hydrogen, grape residues.

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Authors: Y. A. Chan, H. J. Liu, K. C. Tseng, T. C. Kuo

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Green propellants used for satellite-level propulsion system become attractive in recent years because the non-toxicity and lower requirements of safety protection. One of the green propellants, high-concentration hydrogen peroxide H2O2 solution (≥70% w/w, weight concentration percentage), often known as high-test peroxide (HTP), is considered because it is ITAR-free, easy to manufacture and the operating temperature is lower than traditional monopropellant propulsion. To establish satellite propulsion technology, the National Space Organization (NSPO) in Taiwan has initialized a long-term cooperation project with the National Cheng Kung University to develop compatible tank and thruster. An experimental propulsion payload has been allocated for the future self-reliant satellite to perform orbit transfer and maintenance operations. In the present research, an 1-Newton thruster prototype is designed and the thrusting force is measured by a pendulum-type platform. The preliminary hot-firing test at ambient environment showed the generated thrust and the specific impulse are about 0.7 Newton and 102 seconds, respectively.

Keywords: Hydrogen peroxide, propulsion, RCS, satellite.

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Authors: M Tayari, SZ Moosavi-nejad, A Shabani, M Rezaei Tavirani

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Free Hemoglobin promotes the accumulation of hydroxyl radicals by the heme iron, which can react with endogenous hydrogen peroxide to produce free radicals which may cause severe oxidative cell damage. Haptoglobin binds to Hemoglobin strongly and Haptoglobin-Hemoglobin binding is irreversible. Peroxidase activity of Haptoglobin(2-2)-Hemoglobin complex was assayed by following increase of absorption of produced tetraguaiacol as the second substrate of Haptoglobin-Hemoglobin complex at 470 nm and 42°C by UV-Vis spectrophotometer. The results have shown that peroxidase activity of Haptoglobin(2-2)-Hemoglobin complex is modulated via homotropic effect of hydrogen peroxide as allostric substrate. On the other hand antioxidant property of Haptoglobin(2- 2)-Hemoglobin was increased via heterotropic effect of the two drugs (especially ampicillin) on peroxidase activity of the complex. Both drugs also have mild effect on quality of homotropic property of peroxidase activity of Haptoglobin(2-2)-Hemoglobin complex. Therefore, in vitro studies show that the two drugs may help Hp-Hb complex to remove hydrogen peroxide from serum at pathologic temperature ature (42 C).

Keywords: Haptoglobin, Hemoglobin, Antioxidant, Antibiotics.

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Authors: A. Alkattib, M. Boumaza

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Steam reforming is industrially important as it is  incorporated in several major chemical processes including the  production of ammonia, methanol, hydrogen and ox alcohols. Due to  the strongly endothermic nature of the process, a large amount of heat  is supplied by fuel burning (commonly natural gas) in the furnace  chamber. Reaction conversions, tube catalyst life, energy  consumption and CO2 emission represent the principal factors  affecting the performance of this unit and are directly influenced by  the high operating temperatures and pressures.  This study presents a simulation of the performance of the  reforming of methane in a primary reformer, through a developed  empirical relation which enables to investigate the effects of  operating parameters such as the pressure, temperature, steam to  carbon ratio on the production of hydrogen, as well as the fraction of  non converted methane.  It appears from this analysis that the exit temperature Te, the  operating pressure as well the steam to carbon ratio has an important  effect on the reforming of methane.

 

Keywords: Reforming, methane, performance, hydrogen, parameters.

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Authors: A. M. Tahsini

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Numerical study of two dimensional supersonic hydrogen-air mixing layer is performed to investigate the effect of turbulence and chemical additive on ignition distance. Chemical reaction is treated using detail kinetics. Advection upstream splitting method is used to calculate the fluxes and one equation turbulence model is chosen here to simulate the considered problem. Hydrogen peroxide is used as an additive and the results show that inflow turbulence and chemical additive may drastically decrease the ignition delay in supersonic combustion.

Keywords: Ignition, Mixing layer, Numerical simulation, Supersonic combustion, Turbulence

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Authors: Sayem Zafar, Mahmood Rahi

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Rigorous international maritime regulations are in place to limit boat and ship hydrocarbon emissions. The global sustainability goals are reducing the fuel consumption and minimizing the emissions from the ships and boats. These maritime sustainability goals have attracted a lot of research interest. Energy harvesting and storage system is designed in this study based on hybrid renewable and conventional energy systems. This energy harvesting and storage system is designed for marine applications, such as, boats and small ships. These systems can be utilized for mobile use or off-grid remote electrification. This study analyzed the use of micro power generation for boats and small ships. The energy harvesting and storage system has two distinct systems i.e. dockside shore-based system and on-board system. The shore-based system consists of a small wind turbine, photovoltaic (PV) panels, small gas turbine, hydrogen generator and high-pressure hydrogen storage tank. This dockside system is to provide easy access to the boats and small ships for supply of hydrogen. The on-board system consists of hydrogen storage tanks and fuel cells. The wind turbine and PV panels generate electricity to operate electrolyzer. A small gas turbine is used as a supplementary power system to contribute in case the hybrid renewable energy system does not provide the required energy. The electrolyzer performs the electrolysis on distilled water to produce hydrogen. The hydrogen is stored in high-pressure tanks. The hydrogen from the high-pressure tank is filled in the low-pressure tanks on-board seagoing vessels to operate the fuel cell. The boats and small ships use the hydrogen fuel cell to provide power to electric propulsion motors and for on-board auxiliary use. For shore-based system, a small wind turbine with the total length of 4.5 m and the disk diameter of 1.8 m is used. The small wind turbine dimensions make it big enough to be used to charge batteries yet small enough to be installed on the rooftops of dockside facility. The small dimensions also make the wind turbine easily transportable. In this paper, PV, sizing and solar flux are studied parametrically. System performance is evaluated under different operating and environmental conditions. The parametric study is conducted to evaluate the energy output and storage capacity of energy storage system. Results are generated for a wide range of conditions to analyze the usability of hybrid energy harvesting and storage system. This energy harvesting method significantly improves the usability and output of the renewable energy sources. It also shows that small hybrid energy systems have promising practical applications.

Keywords: Energy harvesting, fuel cell, hybrid energy system, hydrogen, wind turbine.

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Authors: Sucharat Limsitthichaikoon, Kedsarin Saodaeng, Aroonsri Priprem, Teerasak Damrongrungruang

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Complexation of anthocyanins to mimic natural copigmentation process was investigated. Cyanidin-rich extracts from Zea mays L. ceritina Kulesh. and delphinidin-rich extracts from Clitoria ternatea L. were used to form 4 anthocyanin complexes, AC1, AC2, AC3 and AC4, in the presence of several polyphenols and a trace metal. Characterizations of the ACs were conducted by UV, FTIR, DSC/TGA and morphological observations. Bathochromic shifts of the UV spectra of 4 formulas of ACs were observed at peak wavelengths of about 510-620 nm by 10 nm suggesting complex formation. FTIR spectra of the ACs indicate shifts of peaks from 1,733 cm-1 to 1,696 cm-1 indicating interactions and a decrease in the peak areas within the wavenumber of 3,400-3,500 cm-1 indicating changes in hydrogen bonding. Thermal analysis of all of the ACs suggests increases in melting temperature after complexation. AC with the highest melting temperature was morphologically observed by SEM and TEM to be crystal-like particles within a range of 50 to 200 nm. Particle size analysis of the AC by laser diffraction gave a range of 50-600 nm, indicating aggregation. This AC was shown to have no cytotoxic effect on cultured HGEPp0.5 and HGF (all p> 0.05) by MTT. Therefore, complexation of anthocyanins was simple and self-assembly process, potentially resulting in nanosized particles of anthocyanin complex.

Keywords: Anthocyanins, complexation, purple corn cops, butterfly pea, physicochemical characteristics, cytotoxicity.

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Authors: Abhay Kumar Singh

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Structural and UV/Visible optical properties can be useful to describe a material for the CIGS solar cell active layer, therefore, this work demonstrates the properties like surface morphology, X-ray Photoelectron Spectroscopy (XPS) bonding energy (EB) core level spectra, UV/Visible absorption spectra, refractive index (n), optical energy band (Eg), reflection spectra for the Cu25 (In16Ga9) Se40Te10 (CIGST-1) and Cu20 (In14Ga9) Se45Te12 (CIGST-2) chalcogenide compositions. Materials have been exhibited homogenous surface morphologies, broading /-or diffusion of bonding energy peaks relative elemental values and a high UV/Visible absorption tendency in the wave length range 400 nm- 850 nm range with the optical energy band gaps 1.37 and 1.42 respectively. Subsequently, UV/Visible reflectivity property in the wave length range 250 nm to 320 nm for these materials has also been discussed.

Keywords: Chalcogen, Optical energy band gap, UV/Visible spectra, XPS spectra.

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Authors: Sushil Kumar Saraswat, K. K. Pant

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Co metal supported on SiO2 and Al2O3 catalysts with a metal loading varied from 30 of 70 wt.% were evaluated for decomposition of methane to COx free hydrogen and carbon nanomaterials. The catalytic runs were carried out from 550-800oC under atmospheric pressure using fixed bed vertical flow reactor. The fresh and spent catalysts were characterized by BET surface area analyzer, XRD, SEM, TEM and TG analysis. The data showed that 50% Co/Al2O3 catalyst exhibited remarkable higher activity at 800oC with respect to H2 production compared to rest of the catalysts. However, the catalytic activity and durability was greatly declined at higher temperature. The main reason for the catalytic inhibition of Co containing SiO2 catalysts is the higher reduction temperature of Co2SiO4. TEM images illustrate that the carbon materials with various morphologies, carbon nanofibers (CNFs), helical-shaped CNFs and branched CNFs depending on the catalyst composition and reaction temperature were obtained.

Keywords: Carbon nanotubes, Cobalt, Hydrogen Production, Methane decomposition.

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Authors: SeungKyu Shin, Jeong Hyub Ha, Sung Han, JiHyeon Song

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Silver nano-particles have been used for antibacterial purpose and it is also believed to have removal of odorous compounds, oxidation capacity as a metal catalyst. In this study, silver nano-particles in nano sizes (5-30 nm) were prepared on the surface of NaHCO3, the supporting material, using a sputtering method that provided high silver content and minimized conglomerating problems observed in the common AgNO3 photo-deposition method. The silver nano-particles were dispersed by dissolving Ag-NaHCO3 into water, and the dispersed silver nano-particles in the aqueous phase were applied to remove inorganic odor compounds, H2S, in a scrubbing reactor. Hydrogen sulfide in the gas phase was rapidly removed by the silver nano-particles, and the concentration of sulfate (SO4 2-) ion increased with time due to the oxidation reaction by silver as a catalyst. Consequently, the experimental results demonstrated that the silver nano-particles in the aqueous solution can be successfully applied to remove odorous compounds without adding additional energy sources and producing any harmful byproducts

Keywords: Silver nano-particles, Scrubbing, Oxidation, Hydrogen sulfide, Ammonia

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Authors: H. Mukhtar, N. M. Noor, R. Nasir, D. F. Mohshim

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The main aim of this work is to develop a model of hydrogen sulfide (H2S) separation from natural gas by using membrane separation technology. The model is developed by incorporating three diffusion mechanisms which are Knudsen, viscous and surface diffusion towards membrane selectivity and permeability. The findings from the simulation result shows that the permeability of the gas is dependent toward the pore size of the membrane, operating pressure, operating temperature as well as feed composition. The permeability of methane has the highest value for Poly (1-trimethylsilyl-1-propyne ) PTMSP membrane at pore size of 0.1nm and decreasing toward a minimum peak at pore range 1 to 1.5 nm as pore size increased before it increase again for pore size is greater than 1.5 nm. On the other hand, the permeability of hydrogen sulfide is found to increase almost proportionally with the increase of membrane pore size. Generally, the increase of pressure will increase the permeability of gas since more driving force is provided to the system while increasing of temperature would decrease the permeability due to the surface diffusion drop off effect. A corroboration of the simulation result also showed a good agreement with the experimental data.

Keywords: Hydrogen Sulfide, Methane, Inorganic Membrane, Organic Membrane, Pore Model

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Authors: A. Balbo, G. Colucci, M. Nicoli, L. Savoldi

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Hydrogen is expected to become an undisputed player in the ecological transition throughout the next decades. The decarbonization potential offered by this energy vector provides various opportunities for the so-called “hard-to-abate” sectors, including industrial production of iron and steel, glass, refineries and the heavy-duty transport. In this regard, Italy, in the framework of decarbonization plans for the whole European Union, has been considering a wider use of hydrogen to provide an alternative to fossil fuels in hard-to-abate sectors. This work aims to assess and compare different options concerning the pathway to be followed in the development of the future Italian energy system in order to meet decarbonization targets as established by the Paris Agreement and by the European Green Deal, and to infer a techno-economic analysis of the required asset alternatives to be used in that perspective. To accomplish this objective, the Energy System Optimization Model TEMOA-Italy is used, based on the open-source platform TEMOA and developed at PoliTo as a tool to be used for technology assessment and energy scenario analysis. The adopted assessment strategy includes two different scenarios to be compared with a business-as-usual one, which considers the application of current policies in a time horizon up to 2050. The studied scenarios are based on the up-to-date hydrogen-related targets and planned investments included in the National Hydrogen Strategy and in the Italian National Recovery and Resilience Plan, with the purpose of providing a critical assessment of what they propose. One scenario imposes decarbonization objectives for the years 2030, 2040 and 2050, without any other specific target. The second one (inspired to the national objectives on the development of the sector) promotes the deployment of the hydrogen value-chain. These scenarios provide feedback about the applications hydrogen could have in the Italian energy system, including transport, industry and synfuels production. Furthermore, the decarbonization scenario where hydrogen production is not imposed, will make use of this energy vector as well, showing the necessity of its exploitation in order to meet pledged targets by 2050. The distance of the planned policies from the optimal conditions for the achievement of Italian objectives is clarified, revealing possible improvements of various steps of the decarbonization pathway, which seems to have as a fundamental element Carbon Capture and Utilization technologies for its accomplishment. In line with the European Commission open science guidelines, the transparency and the robustness of the presented results are ensured by the adoption of the open-source open-data model such as the TEMOA-Italy.

Keywords: Decarbonization, energy system optimization models, hydrogen, open-source modeling, TEMOA.

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Authors: K. Kong, E. Ferrier, L. Michel

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The purpose of this research was to investigate the creep behaviour of the heterogeneous Timber-UHPFRC beams. New developments have been done to further improve the structural performance, such as strengthening of the timber (glulam) beam by bonding composite material combine with an ultra-high performance fibre reinforced concrete (UHPFRC) internally reinforced with or without carbon fibre reinforced polymer (CFRP) bars. However, in the design of wooden structures, in addition to the criteria of strengthening and stiffness, deformability due to the creep of wood, especially in horizontal elements, is also a design criterion. Glulam, UHPFRC and CFRP may be an interesting composite mix to respond to the issue of creep behaviour of composite structures made of different materials with different rheological properties. In this paper, we describe an experimental and analytical investigation of the creep performance of the glulam-UHPFRC-CFRP beams assembled by bonding. The experimental investigations creep behaviour was conducted for different environments: in- and outside under constant loading for approximately a year. The measured results are compared with numerical ones obtained by an analytical model. This model was developed to predict the creep response of the glulam-UHPFRCCFRP beams based on the creep characteristics of the individual components. The results show that heterogeneous glulam-UHPFRC beams provide an improvement in both the strengthening and stiffness, and can also effectively reduce the creep deflection of wooden beams.

Keywords: Carbon fibre-reinforced polymer (CFRP) bars, creep behaviour, glulam, ultra-high performance fibre reinforced concrete (UHPFRC).

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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: A. H. Abdol Rahim, Alhassan Salami Tijani

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Hydrogen produced by means of polymer electrolyte membrane electrolyzer (PEME) is one of the most promising methods due to clean and renewable energy source. In the process, some energy loss due to mass transfer through a PEM is caused by diffusion, electro-osmotic drag, and the pressure difference between the cathode channel and anode channel. In PEME, water molecules and ionic particles transferred between the electrodes from anode to cathode, Extensive mixing of the hydrogen and oxygen at anode channel due to gases cross-over must be avoided. In recent times the consciousness of safety issue in high pressure PEME where the oxygen mix with hydrogen at anode channel could create, explosive conditions have generated a lot of concern. In this paper, the steady state and simulation analysis of gases crossover in PEME on the temperature and pressure effect are presented. The simulations have been analysis in MATLAB based on the well-known Fick’s Law of molecular diffusion. The simulation results indicated that as temperature increases, there is a significant decrease in operating voltage.

Keywords: Diffusion, gases cross-over, steady state.

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Authors: Hongfang Ma, Mingchuan Zhou, Haitao Zhang, Weiyong Ying

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One dimensional pseudo-homogenous modeling has been performed for methanol steam reforming reactor. The results show that the models can well predict the industrial data. The reactor had minimum temperature along axial because of endothermic reaction. Hydrogen productions and temperature profiles along axial were investigated regarding operation conditions such as inlet mass flow rate and mass fraction of methanol, inlet temperature of external thermal oil. Low inlet mass flow rate of methanol, low inlet temperature, and high mass fraction of methanol decreased minimum temperature along axial. Low inlet mass flow rate of methanol, high mass fraction of methanol, and high inlet temperature of thermal oil made cold point forward. Low mass fraction, high mass flow rate, and high inlet temperature of thermal oil increased hydrogen production. One dimensional models can be a guide for industrial operation.

Keywords: Reactor, modeling, methanol, steam reforming.

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Authors: Aditi Shukla, Ambarish S. Vidyarthi, Subir Samanta

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The worldwide prevalence of H3N2 influenza virus and its increasing resistance to the existing drugs necessitates for the development of an improved/better targeting anti-influenza drug. H3N2 influenza neuraminidase is one of the two membrane-bound proteins belonging to group-2 neuraminidases. It acts as key player involved in viral pathogenicity and hence, is an important target of anti-influenza drugs. Oseltamivir is one of the potent drugs targeting this neuraminidase. In the present work, we have taken subtype N2 neuraminidase as the receptor and probable analogs of oseltamivir as drug molecules to study the protein-drug interaction in anticipation of finding efficient modified candidate compound. Oseltamivir analogs were made by modifying the functional groups using Marvin Sketch software and were docked using Schrodinger-s Glide. Oseltamivir analog 10 was detected to have significant energy value (16% less compared to Oseltamivir) and could be the probable lead molecule. It infers that some of the modified compounds can interact in a novel manner with increased hydrogen bonding at the active site of neuraminidase and it might be better than the original drug. Further work can be carried out such as enzymatic inhibition studies; synthesis and crystallizing the drug-target complex to analyze the interactions biologically.

Keywords: H3N2 Influenza, Neuraminidase, Oseltamiviranalogs, structure based drug designing

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Authors: Y. J. Chen, T. M. Yue, Z. N. Guo

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This paper reports the effects of laser energy on the characteristics of bubbles generated in the weld zone and the formation of new chemical bonds at the Polyethylene Terephthalate (PET)/Ti joint interface in laser joining of PET to Ti. The samples were produced by using different laser energies ranging from 1.5 J – 6 J in steps of 1.5 J, while all other joining parameters remained unchanged. The types of chemical bonding at the joint interface were analysed by the x-ray photoelectron spectroscopy (XPS) depth-profiling method. The results show that the characteristics of the bubbles and the thickness of the chemically bonded interface, which contains the laser generated bonds of Ti–C and Ti–O, increase markedly with increasing laser energy input. The tensile failure load of the joint depends on the combined effect of the amount and distribution of the bubbles formed and the chemical bonding intensity of the joint interface.

Keywords: Laser direct joining, Ti/PET interface, laser energy, XPS depth profiling, chemical bond, tensile failure load.

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Authors: Hye Rim Lee, Eui Jun Jeong, Joo Woo Kim

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This study will examine how the therapeutic factors (therapeutic catharsis-seeking and game-efficacy of the game player) and self-construal factors (independent and interdependent self-construal of the game player) as well as social capital factors (bonding and bridging social capital of the game player) affect aggression in the game. Results show that both therapeutic catharsis-seeking and game self-efficacy are particularly important to the players since they cause the game players’ aggressive tendencies to be greatly diminished. Independent self-construal reduces the level of the players’ aggression. Interestingly enough, the bonding social capital enhances the level of the players’ aggression, while individuals with bridging social capital did not show any significant effects. The results and implications will be discussed herein.

Keywords: Aggression catharsis, therapeutic catharsis seeking, game self-efficacy, self-construal, social capital.

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Authors: Ilke Senol

Abstract:

Perturbed-Chain Statistical Association Fluid Theory (PC-SAFT) equation of state (EOS) is a modified SAFT EOS with three pure component specific parameters: segment number (m), diameter (σ) and energy (ε). These PC-SAFT parameters need to be determined for each component under the conditions of interest by fitting experimental data, such as vapor pressure, density or heat capacity. PC-SAFT parameters for propane, ethylene and hydrogen in supercritical region were successfully estimated by fitting experimental density data available in literature. The regressed PCSAFT parameters were compared with the literature values by means of estimating pure component density and calculating average absolute deviation between the estimated and experimental density values. PC-SAFT parameters available in literature especially for ethylene and hydrogen estimated density in supercritical region reasonably well. However, the regressed PC-SAFT parameters performed better in supercritical region than the PC-SAFT parameters from literature.

Keywords: Equation of state, perturbed-chain, PC-SAFT, super critical.

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Authors: A. K. Sayah, Sh. Hosseinabadi, M. Farazar

Abstract:

This study investigates CO2 mitigation by methanol synthesis from flue gas CO2 and H2 generation through water electrolysis. Electrolytic hydrogen generation is viable provided that the required electrical power is supplied from renewable energy resources; whereby power generation from renewable resources is yet commercial challenging. This approach contribute to zero-emission, moreover it produce oxygen which could be used as feedstock for chemical process. At ZPC, however, oxygen would be utilized through partial oxidation of methane in autothermal reactor (ATR); this makes ease the difficulties of O2 delivery and marketing. On the other hand, onboard hydrogen storage and consumption; in methanol plant; make the project economically more competitive.

Keywords: Biomass, CO2 abatement, flue gas recovery, renewable energy, sustainable development.

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Authors: Anubha Kaushik, Raman Preet

Abstract:

Distillery wastewater in the form of spent wash is a complex and strong industrial effluent, with high load of organic pollutants that may deplete dissolved oxygen on being discharged into aquatic systems and contaminate groundwater by leaching of pollutants, while untreated spent wash disposed on land acidifies the soil. Stringent legislative measures have therefore been framed in different countries for discharge standards of distillery effluent. Utilising the organic pollutants present in various types of wastes as food by mixed microbial populations is emerging as an eco-friendly approach in the recent years, in which complex organic matter is converted into simpler forms, and simultaneously useful gases are produced as renewable and clean energy sources. In the present study, wastewater from a rice bran based distillery has been used as the substrate in a dark fermenter, and native microbial consortium from the digester sludge has been used as the inoculum to treat the wastewater and produce hydrogen. After optimising the operational conditions in batch reactors, sequential batch mode and continuous flow stirred tank reactors were used to study the best operational conditions for enhanced and sustained hydrogen production and removal of pollutants. Since the rate of hydrogen production by the microbial consortium during dark fermentation is influenced by concentration of organic matter, pH and temperature, these operational conditions were optimised in batch mode studies. Maximum hydrogen production rate (347.87ml/L/d) was attained in 32h dark fermentation while a good proportion of COD also got removed from the wastewater. Slightly acidic initial pH seemed to favor biohydrogen production. In continuous stirred tank reactor, high H₂ production from distillery wastewater was obtained from a relatively shorter substrate retention time (SRT) of 48h and a moderate organic loading rate (OLR) of 172 g/l/d COD.

Keywords: Distillery wastewater, hydrogen, microbial consortium, organic pollution, sludge.

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

Abstract:

Environment-assisted cracking (EAC) is one of the most serious causes of structural failure over a broad range of industrial applications including offshore structures. In EAC condition there is not a definite relation such as Paris equation in Linear Elastic Fracture Mechanics (LEFM). According to studying and searching a lot what the researchers said either a material has contact with hydrogen or any other corrosive environment, phenomenon of electrical and chemical reactions of material with its environment will be happened. In the literature, there are many different works to consider fatigue crack growing and solve it but they are experimental works. Thus, in this paper, authors have an aim to evaluate mathematically the pervious works in LEFM. Obviously, if an environment is more sour and corrosive, the changes of stress intensity factor is more and the calculation of stress intensity factor is difficult. A mathematical relation to deal with the stress intensity factor during the diffusion of sour environment especially hydrogen in a marine pipeline is presented. By using this relation having and some experimental relation an analytical formulation will be presented which enables the fatigue crack growth and critical crack length under cyclic loading to be predicted. In addition, we can calculate KSCC and stress intensity factor in the pipeline caused by EAC.

Keywords: Embrittlement, Fracture mechanics, Hydrogen diffusion, Stress intensity factor.

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Authors: Thamo Sutharssan, Diogo Montalvao, Yong Chen, Wen-Chung Wang, Claudia Pisac

Abstract:

A combined heat and power (CHP) system is an efficient and clean way to generate power (electricity). Heat produced by the CHP system can be used for water and space heating. The CHP system which uses hydrogen as fuel produces zero carbon emission. Its’ efficiency can reach more than 80% whereas that of a traditional power station can only reach up to 50% because much of the thermal energy is wasted. The other advantages of CHP systems include that they can decentralize energy generation, improve energy security and sustainability, and significantly reduce the energy cost to the users. This paper presents the economic benefits of using a CHP system in the domestic environment. For this analysis, natural gas is considered as potential fuel as the hydrogen fuel cell based CHP systems are rarely used. UK government incentives for CHP systems are also considered as the added benefit. Results show that CHP requires a significant initial investment in returns it can reduce the annual energy bill significantly. Results show that an investment may be paid back in 7 years. After the back period, CHP can run for about 3 years as most of the CHP manufacturers provide 10 year warranty.

Keywords: Combined Heat and Power, Clean Energy, Hydrogen Fuel Cell, Economic Analysis of CHP, Zero Emission.

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