Search results for: Intramolecular hydrogen bond
266 Ignition Analysis in Supersonic Turbulent Mixing Layer
Authors: A. M. Tahsini
Abstract:
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
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1723265 Energy Harvesting and Storage System for Marine Applications
Authors: Sayem Zafar, Mahmood Rahi
Abstract:
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1207264 Oriented Strandboard-GEOGYPTM Underlayment - A Novel Composite Flooring System
Authors: B. Noruziaan, A. Shvarzman, R. Leahy
Abstract:
An innovative flooring underlayment was produced and tested. The composite system is made of common OSB boards and a layer of eco-friendly non-cement gypsum based material (GeoGypTM). It was found that the shear bond between the two materials is sufficient to secure the composite interaction between the two. The very high compressive strength and relatively high tensile strength of the non-cement based component together with its high modulus of elasticity provides enough strength and stiffness for the composite product to cover wider spacing between the joists. The initial findings of this study indicate that with joist spacing as wide as 800 mm, the flooring system provides enough strength without compromising the serviceability requirements of the building codes.
Keywords: Composite, floor deck, gypsum based, lumber joist, non-cement, oriented strandboard, shear bond.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1830263 Progressive Loading Effect of Co over SiO2/Al2O3 Catalyst for Cox Free Hydrogen and Carbon Nanotubes Production via Catalytic Decomposition of Methane
Authors: Sushil Kumar Saraswat, K. K. Pant
Abstract:
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2840262 Repair of Concrete Structures with SCC
Authors: F. Kharchi, M. Benhadji, O. Bouksani
Abstract:
The objective of this work is to study the influence of the properties of the substrate on the retrofit (thin repair) of damaged concrete elements, with the SCC. Fluidity, principal characteristic of the SCC, would enable it to cover and adhere to the concrete to be repaired. Two aspects of repair are considered, the bond (Adhesion) and the tensile strength and the cracking. The investigation is experimental; It was conducted over test specimens made up of ordinary concrete prepared and hardened in advance (the material to be repaired) over which a self compacting concrete layer is cast. Three alternatives of SC concrete and one ordinary concrete (comparison) were tested. It appears that the self-compacting concrete constitutes a good material for repairing. It follows perfectly the surfaces- forms to be repaired and allows a perfect bond. Fracture tests made on specimens of self-compacting concrete show a brittle behaviour. However when a small percentage of fibres is added, the resistance to cracking is very much improve.
Keywords: Adhesion, concrete, experimental, repair, self-compacting.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1852261 Removal of Hydrogen Sulfide in Terms of Scrubbing Techniques using Silver Nano-Particles
Authors: SeungKyu Shin, Jeong Hyub Ha, Sung Han, JiHyeon Song
Abstract:
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 byproductsKeywords: Silver nano-particles, Scrubbing, Oxidation, Hydrogen sulfide, Ammonia
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2400260 Pore Model Prediction of CH4 Separation from HS Using PTMSP and γ -Alumina Membranes
Authors: H. Mukhtar, N. M. Noor, R. Nasir, D. F. Mohshim
Abstract:
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
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3707259 The Study on Mechanical Properties of Graphene Using Molecular Mechanics
Authors: I-Ling Chang, Jer-An Chen
Abstract:
The elastic properties and fracture of two-dimensional graphene were calculated purely from the atomic bonding (stretching and bending) based on molecular mechanics method. Considering the representative unit cell of graphene under various loading conditions, the deformations of carbon bonds and the variations of the interlayer distance could be realized numerically under the geometry constraints and minimum energy assumption. In elastic region, it was found that graphene was in-plane isotropic. Meanwhile, the in-plane deformation of the representative unit cell is not uniform along armchair direction due to the discrete and non-uniform distributions of the atoms. The fracture of graphene could be predicted using fracture criteria based on the critical bond length, over which the bond would break. It was noticed that the fracture behavior were directional dependent, which was consistent with molecular dynamics simulation results.Keywords: Energy minimization, fracture, graphene, molecular mechanics.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1862258 Exploring the Role of Hydrogen to Achieve the Italian Decarbonization Targets Using an Open-Source Energy System Optimization Model
Authors: A. Balbo, G. Colucci, M. Nicoli, L. Savoldi
Abstract:
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 695257 Influence of Recycled Concrete Aggregate Content on the Rebar/Concrete Bond Properties through Pull-Out Tests and Acoustic Emission Measurements
Authors: L. Chiriatti, H. Hafid, H. R. Mercado-Mendoza, K. L. Apedo, C. Fond, F. Feugeas
Abstract:
Substituting natural aggregate with recycled aggregate coming from concrete demolition represents a promising alternative to face the issues of both the depletion of natural resources and the congestion of waste storage facilities. However, the crushing process of concrete demolition waste, currently in use to produce recycled concrete aggregate, does not allow the complete separation of natural aggregate from a variable amount of adhered mortar. Given the physicochemical characteristics of the latter, the introduction of recycled concrete aggregate into a concrete mix modifies, to a certain extent, both fresh and hardened concrete properties. As a consequence, the behavior of recycled reinforced concrete members could likely be influenced by the specificities of recycled concrete aggregates. Beyond the mechanical properties of concrete, and as a result of the composite character of reinforced concrete, the bond characteristics at the rebar/concrete interface have to be taken into account in an attempt to describe accurately the mechanical response of recycled reinforced concrete members. Hence, a comparative experimental campaign, including 16 pull-out tests, was carried out. Four concrete mixes with different recycled concrete aggregate content were tested. The main mechanical properties (compressive strength, tensile strength, Young’s modulus) of each concrete mix were measured through standard procedures. A single 14-mm-diameter ribbed rebar, representative of the diameters commonly used in the domain of civil engineering, was embedded into a 200-mm-side concrete cube. The resulting concrete cover is intended to ensure a pull-out type failure (i.e. exceedance of the rebar/concrete interface shear strength). A pull-out test carried out on the 100% recycled concrete specimen was enriched with exploratory acoustic emission measurements. Acoustic event location was performed by means of eight piezoelectric transducers distributed over the whole surface of the specimen. The resulting map was compared to existing data related to natural aggregate concrete. Damage distribution around the reinforcement and main features of the characteristic bond stress/free-end slip curve appeared to be similar to previous results obtained through comparable studies carried out on natural aggregate concrete. This seems to show that the usual bond mechanism sequence (‘chemical adhesion’, mechanical interlocking and friction) remains unchanged despite the addition of recycled concrete aggregate. However, the results also suggest that bond efficiency seems somewhat improved through the use of recycled concrete aggregate. This observation appears to be counter-intuitive with regard to the diminution of the main concrete mechanical properties with the recycled concrete aggregate content. As a consequence, the impact of recycled concrete aggregate content on bond characteristics seemingly represents an important factor which should be taken into account and likely to be further explored in order to determine flexural parameters such as deflection or crack distribution.
Keywords: Acoustic emission monitoring, high-bond steel rebar, pull-out test, recycled aggregate concrete.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 990256 Fiber Optic Sensors for Hydrogen Peroxide Vapor Measurement
Authors: H. Akbari Khorami, P. Wild, N. Djilali
Abstract:
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1940255 Simultaneous Term Structure Estimation of Hazard and Loss Given Default with a Statistical Model using Credit Rating and Financial Information
Authors: Tomohiro Ando, Satoshi Yamashita
Abstract:
The objective of this study is to propose a statistical modeling method which enables simultaneous term structure estimation of the risk-free interest rate, hazard and loss given default, incorporating the characteristics of the bond issuing company such as credit rating and financial information. A reduced form model is used for this purpose. Statistical techniques such as spline estimation and Bayesian information criterion are employed for parameter estimation and model selection. An empirical analysis is conducted using the information on the Japanese bond market data. Results of the empirical analysis confirm the usefulness of the proposed method.Keywords: Empirical Bayes, Hazard term structure, Loss given default.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1666254 Modeling and Analysis of the Effects of Temperature and Pressure on the Gas-Crossover in Polymer Electrolyte Membrane Electrolyzer
Authors: A. H. Abdol Rahim, Alhassan Salami Tijani
Abstract:
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2550253 One Dimensional Reactor Modeling for Methanol Steam Reforming to Hydrogen
Authors: Hongfang Ma, Mingchuan Zhou, Haitao Zhang, Weiyong Ying
Abstract:
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 747252 A Comprehensive model for developing of Steer-By-Wire System
Authors: Reza Kazemi , Iman Mousavinejad
Abstract:
Steer-By-Wire ( SBW ) has several advantages of packaging flexibility , advanced vehicle control system ,and superior performance . SBW has no mechanical linkage between the steering gear and the steering column. It is possible to control the steering wheel and the front-wheel steering independently. SBW system is composed of two motors controlled by ECU. One motor in the steering wheel is to improve the driver's steering feel and the other motor in the steering linkage is to improve the vehicle maneuverability and stability. This paper shows a new approach at modeling of SBW system by Bond Graph theory. The mechanical parts , the steering wheel motor and the front wheel motor will be modeled by this theory. The work in the paper will help to guide further researches on control algorithm of the SBW system .
Keywords: Steer-By-Wire ( SBW ), Bond Graph theory, Electronic-Control-Unit ( ECU ) , Modeling
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3652251 Perturbed-Chain Statistical Association Fluid Theory (PC-SAFT) Parameters for Propane, Ethylene, and Hydrogen under Supercritical Conditions
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 6989250 Guided Wave Sensitivity for De-Bond Defects in Aluminum Skin-Honeycomb Core
Authors: A. Satour, F. Boubenider, R. Halimi, A. Badidibouda
Abstract:
Sandwich plates are finding an increasing range of application in the aircraft industry. The inspection of honeycomb composite structure by conventional ultrasonic technique is complex and very time consuming. The present study demonstrates a technique using guided Lamb waves at low frequencies to predict de-bond defects in aluminum skin-honeycomb core sandwich structure used in aeronautics. The numerical method was investigated for drawing the dispersion and displacement curves of ultrasonic Lamb wave propagated in Aluminum plate. An experimental study was carried out to check the theoretical prediction. The detection of unsticking between the skin and the core was tested by the two first modes for a low frequency. It was found that A0 mode is more sensitive to delamination defect compared to S0 mode.
Keywords: Damage detection, delamination, guided waves, Sandwich structure.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2324249 CO2 Abatement by Methanol Production from Flue-Gas in Methanol Plant
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3593248 Atmospheric Oxidation of Carbonyls: Insight to Mechanism, Kinetic and Thermodynamic Parameters
Authors: Olumayede Emmanuel Gbenga, Adeniyi Azeez Adebayo
Abstract:
Carbonyls are the first-generation products from tropospheric degradation reactions of volatile organic compounds (VOCs). This computational study examined the mechanism of removal of carbonyls from the atmosphere via hydroxyl radical. The kinetics of the reactions were computed from the activation energy (using enthalpy (ΔH**) and Gibbs free energy (ΔG**). The minimum energy path (MEP) analysis reveals that in all the molecules, the products have more stable energy than the reactants, which implies that the forward reaction is more thermodynamically favorable. The hydrogen abstraction of the aromatic aldehyde, especially without methyl substituents, is more kinetically favorable compared with the other aldehydes in the order of aromatic (without methyl or meta methyl) > alkene (short chain) > diene > long-chain aldehydes. The activation energy is much lower for the forward reaction than the backward, indicating that the forward reactions are more kinetically stable than their backward reaction. In terms of thermodynamic stability, the aromatic compounds are found to be less favorable in comparison to the aliphatic. The study concludes that the chemistry of the carbonyl bond of the aldehyde changed significantly from the reactants to the products.
Keywords: Atmospheric carbonyls, oxidation, mechanism, kinetic, thermodynamic.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 51247 Molecular Dynamics Simulation of Lubricant Adsorption and Thermal Depletion Instability
Authors: Bei Li, Qiu B. Chen, Chee H. Wong
Abstract:
In this work, we incorporated a quartic bond potential into a coarse-grained bead-spring model to study lubricant adsorption on a solid surface as well as depletion instability. The surface tension density and the number density profiles were examined to verify the solid-liquid and liquid-vapor interfaces during heat treatment. It was found that both the liquid-vapor interfacial thickness and the solid-vapor separation increase with the temperatureT* when T*is below the phase transition temperature Tc *. At high temperatures (T*>Tc *), the solid-vapor separation decreases gradually as the temperature increases. In addition, we evaluated the lubricant weight and bond loss profiles at different temperatures. It was observed that the lubricant desorption is favored over decomposition and is the main cause of the lubricant failure at the head disk interface in our simulations.Keywords: Depletion instability, Lubricant film, Thermal adsorption, Molecular dynamics (MD).
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1770246 Attachment and Risk Taking: Are They Interrelated?
Authors: Ümit Morsünbül
Abstract:
Attachment theory focuses on the bond that develops between child and caretaker and the consequences that this bond has on the childs future relationships. Adolescents attempt to define their identity by experiencing various risky behaviors. The first aim of the study was whether risk taking behavior differs according to attachment styles. The second was to examine risk taking behavior differences according to gender. The third aim of this study was to examine attachment X gender interaction effect for risk taking behavior. And final was to investigate attachment styles differences according to gender. Data were collected from 218 participants (114 female and 104 male) who are university students. The results of this study showed that attachment styles differentiated by risk taking behavior and males had higher risk taking score than females. It was also found out that there was significant attachment X gender interaction effect for risk taking behavior. And finally, the results showed that attachment styles differentiated according to gender.KeywordsAttachment style, risk taking
Keywords: Attachment style, risk taking
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3913245 Producing Sustained Renewable Energy and Removing Organic Pollutants from Distillery Wastewater using Consortium of Sludge Microbes
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 936244 Fatigue Analysis of Crack Growing Rate and Stress Intensity Factor for Stress Corrosion Cracking in a Pipeline System
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2336243 Development and Characterization of Normoxic Polyhydroxyethylacrylate (PHEA) Gel Dosimeter using Raman Spectroscopy
Authors: Aifa Afirah Rozlan, Mohamad Suhaimi Jaafar, Azhar Abdul Rahman
Abstract:
Raman spectroscopy are used to characterize the chemical changes in normoxic polyhydroxyethylacrylate gel dosimeter (PHEA) induced by radiation. Irradiations in the low dose region are performed and the polymerizations of PHEA gels are monitored by the observing the changes of Raman shift intensity of the carbon covalent bond of PHEA originated from both monomer and the cross-linker. The variation in peak intensities with absorbed dose was observed. As the dose increase, the peak intensities of covalent bond of carbon in the polymer gels decrease. This point out that the amount of absorbed dose affect the polymerization of polymer gels. As the absorbed dose increase, the polymerizations also increase. Results verify that PHEA gel dosimeters are sensitive even in lower dose region.Keywords: normoxic polymer gel, ascorbic acid, Ramanspectroscopy, radiation dosimetry.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1942242 Modelling of Factors Affecting Bond Strength of Fibre Reinforced Polymer Externally Bonded to Timber and Concrete
Authors: Abbas Vahedian, Rijun Shrestha, Keith Crews
Abstract:
In recent years, fibre reinforced polymers as applications of strengthening materials have received significant attention by civil engineers and environmentalists because of their excellent characteristics. Currently, these composites have become a mainstream technology for strengthening of infrastructures such as steel, concrete and more recently, timber and masonry structures. However, debonding is identified as the main problem which limit the full utilisation of the FRP material. In this paper, a preliminary analysis of factors affecting bond strength of FRP-to-concrete and timber bonded interface has been conducted. A novel theoretical method through regression analysis has been established to evaluate these factors. Results of proposed model are then assessed with results of pull-out tests and satisfactory comparisons are achieved between measured failure loads (R2 = 0.83, P < 0.0001) and the predicted loads (R2 = 0.78, P < 0.0001).Keywords: Debonding, FRP, pull-out test, stepwise regression analysis.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 800241 Economic Analysis of Domestic Combined Heat and Power System in the UK
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2067240 Physical and Chemical Investigation of Polycaprolactone, Nanohydroxyapatite and Poly (Vinyl Alcohol) Nanocomposite Scaffolds
Authors: A.Doustgani, E.Vasheghani- Farahani, M. Soleimani, S. Hashemi-Najafabadi
Abstract:
Aligned and random nanofibrous scaffolds of PVA/PCL/nHA were fabricated by electrospinning method. The composite nanofibrous scaffolds were subjected to detailed analysis. Morphological investigations revealed that the prepared nanofibers have uniform morphology and the average fiber diameters of aligned and random scaffolds were 135.5 and 290 nm, respectively. The obtained scaffolds have a porous structure with porosity of 88 and 76% for random and aligned nanofibers, respectively. Furthermore, FTIR analysis demonstrated that there were strong intramolecular interactions between the molecules of PVA/PCL/nHA. On the other hand, mechanical characterizations show that aligning the nanofibers, could significantly improve the rigidity of the resultant biocomposite nanofibrous scaffolds.
Keywords: Electrospinnig, nanofibrous scaffold, poly (vinyl alcohol), polycaprolactone.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2717239 Evaluation of Hydrogen Particle Volume on Surfaces of Selected Nanocarbons
Authors: M. Ziółkowska, J. T. Duda, J. Milewska-Duda
Abstract:
This paper describes an approach to the adsorption phenomena modeling aimed at specifying the adsorption mechanisms on localized or nonlocalized adsorbent sites, when applied to the nanocarbons. The concept comes from the fundamental thermodynamic description of adsorption equilibrium and is based on numerical calculations of the hydrogen adsorbed particles volume on the surface of selected nanocarbons: single-walled nanotube and nanocone. This approach enables to obtain information on adsorption mechanism and then as a consequence to take appropriate mathematical adsorption model, thus allowing for a more reliable identification of the material porous structure. Theoretical basis of the approach is discussed and newly derived results of the numerical calculations are presented for the selected nanocarbons.
Keywords: Adsorption, mathematical modeling, nanocarbons, numerical analysis.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1911238 Hydrogen Gas Sensing Properties of Multiwalled Carbon Nanotubes Network Partially Coated with SnO2 Nanoparticles at Room Temperature
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2469237 Thermogravimetry Study on Pyrolysis of Various Lignocellulosic Biomass for Potential Hydrogen Production
Authors: S.S. Abdullah, S. Yusup, M.M. Ahmad, A. Ramli, L. Ismail
Abstract:
This paper aims to study decomposition behavior in pyrolytic environment of four lignocellulosic biomass (oil palm shell, oil palm frond, rice husk and paddy straw), and two commercial components of biomass (pure cellulose and lignin), performed in a thermogravimetry analyzer (TGA). The unit which consists of a microbalance and a furnace flowed with 100 cc (STP) min-1 Nitrogen, N2 as inert. Heating rate was set at 20⁰C min-1 and temperature started from 50 to 900⁰C. Hydrogen gas production during the pyrolysis was observed using Agilent Gas Chromatography Analyzer 7890A. Oil palm shell, oil palm frond, paddy straw and rice husk were found to be reactive enough in a pyrolytic environment of up to 900°C since pyrolysis of these biomass starts at temperature as low as 200°C and maximum value of weight loss is achieved at about 500°C. Since there was not much different in the cellulose, hemicelluloses and lignin fractions between oil palm shell, oil palm frond, paddy straw and rice husk, the T-50 and R-50 values obtained are almost similar. H2 productions started rapidly at this temperature as well due to the decompositions of biomass inside the TGA. Biomass with more lignin content such as oil palm shell was found to have longer duration of H2 production compared to materials of high cellulose and hemicelluloses contents.Keywords: biomass, decomposition, hydrogen, lignocellulosic, thermogravimetry
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2267