Search results for: Excess Gibbs free energy.

Authors: R. Ahmad, S. Abdul-Kareem

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It is a challenge to provide a wide range of queries to database query systems for small mobile devices, such as the PDAs and cell phones. Currently, due to the physical and resource limitations of these devices, most reported database querying systems developed for them are only offering a small set of pre-determined queries for users to possibly pose. The above can be resolved by allowing free-form queries to be entered on the devices. Hence, a query language that does not restrict the combination of query terms entered by users is proposed. This paper presents the free-form query language and the method used in translating free-form queries to their equivalent SQL statements.

Keywords: Cell phone, database query language, free-formqueries, unplanned queries.

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Authors: F. Kadioglu, M. Z. Polat, A. R. Gunay

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Correct measurement of a structural damping value is an important issue for the reliable design of the components exposed to vibratory and noise conditions. As far as a vibrating beam technique is concerned, the specimens under the test somehow are interacted with measuring and exciting devices, and also with boundary conditions of the test set-up. The aim of this study is to propose a vibrating beam method that offers a non-contact dynamic measurement of solid beam specimens. To evaluate the possible effects of the clamped portion of the specimens with clamped-free ends on the dynamic values (damping and the elastic modulus), the same measuring devices were used, and the results were compared to those with the free-free ends. First, the governing equations of beam specimens related to the free-free and clamped-free boundary conditions were expressed to be able to find their natural frequencies, flexural modulus and damping values. To get a clear idea of the sensitivity of the boundary conditions to the damping values at low, medium and high levels, representative materials were subjected to the tests. The results show that the specimens with low damping values are especially sensitive to the boundary conditions and that the most reliable structural damping values are obtained for the specimens with free-free ends. For the damping values at the low levels, a deviation of about 368% was obtained between the specimens with free-free and clamped-free ends, yet, for those having high inherent damping values, comparable results were obtained. It was obvious that the set-up with clamped-free boundary conditions was not able to produce correct/reliable damping values for the specimens with low inherent damping. 

Keywords: Boundary conditions, damping, dynamic values, non-contact measuring systems, vibrating beam technique.

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Authors: Man Young Kim

Abstract:

Catalytic combustion is generally accepted as an environmentally preferred alternative for the generation of heat and power from fossil fuels mainly due to its advantages related to the stable combustion under very lean conditions with low emissions of NOx, CO, and UHC at temperatures lower than those occurred in conventional flame combustion. Despite these advantages, the commercial application of catalytic combustion has been delayed because of complicated reaction processes and the difficulty in developing appropriate catalysts with the required stability and durability. To develop the catalytic combustors, detailed studies on the combustion characteristics of catalytic combustion should be conducted. To the end, in current research, quantitative studies on the combustion characteristics of the catalytic combustors, with a Pd-based catalyst for MCFC power generation systems, relying on numerical simulations have been conducted. In addition, data from experimental studies of variations in outlet temperatures and fuel conversion, taken after operating conditions have been used to validate the present numerical approach. After introducing the governing equations for mass, momentum, and energy equations as well as a description of catalytic combustion kinetics, the effects of the excess air ratio, space velocity, and inlet gas temperature on the catalytic combustion characteristics are extensively investigated. Quantitative comparisons are also conducted with previous experimental data. Finally, some concluding remarks are presented.

Keywords: Catalytic combustion, Methane, BOP, MCFC power generation system, Inlet temperature, Excess air ratio, Space velocity.

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Authors: Fatima Zohra Mahi, Luca Varani

Abstract:

We present an analytical model for the calculation of the sensitivity, the spectral current noise and the detective parameter for an optically illuminated In0.53Ga0.47As n+nn+ diode. The photocurrent due to the excess carrier is obtained by solving the continuity equation. Moreover, the current noise level is evaluated at room temperature and under a constant voltage applied between the diode terminals. The analytical calculation of the current noise in the n+nn+ structure is developed by considering the free carries fluctuations. The responsivity and the detection parameter are discussed as functions of the doping concentrations and the emitter layer thickness in one-dimensional homogeneous n+nn+ structure.

Keywords: Responsivity, detection parameter, photo-detectors, continuity equation, current noise.

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Authors: Hsuan-Ku Liu, Ming Long Liu

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In this paper, we investigate the solution of a two dimensional parabolic free boundary problem. The free boundary of this problem is modelled as a nonlinear integral equation (IE). For this integral equation, we propose an asymptotic solution as time is near to maturity and develop an integral iterative method. The computational results reveal that our asymptotic solution is very close to the numerical solution as time is near to maturity.

Keywords: Integral equation, asymptotic solution, free boundary problem, American exchange option.

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Authors: Y. Madani, H. Achache, B. Boutabout

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The purpose of this paper is to analyze numerically by the three-dimensional finite element method, using ABAQUS calculation code, the mechanical behavior of a unidirectional and multidirectional delaminated stratified composite under mechanical loading in Mode II. This study consists of the determination of the energy release rate G in mode II as well as the distribution of equivalent von Mises stresses along the damaged zone by varying several parameters such as the applied load and the delamination length. It allowed us to deduce that the high energy release rate favors delamination at the free edges of a stratified plate subjected to bending.

Keywords: Delamination, energy release rate, finite element method, stratified composite.

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Authors: Mahsa Karimpour, Martin Belusko, Ke Xing, Frank Bruno

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Traditionally, the embodied energy of design choices which reduce operational energy were assumed to have a negligible impact on the life cycle energy of buildings. However with new buildings having considerably lower operational energy, the significance of embodied energy increases. A life cycle assessment of a population of house designs was conducted in a mild and mixed climate zone. It was determined not only that embodied energy dominates life cycle energy, but that the impact on embodied of design choices was of equal significance to the impact on operational energy.

Keywords: Building life cycle energy, embodied energy, energy design measures, low energy buildings.

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Authors: Christopher C. Ihueze, Charles C. Okpala, Christian E. Okafor, Peter O. Ogbobe

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This paper focuses on robust design and optimization of industrial production wastes. Past literatures were reviewed to case study Clamason Industries Limited (CIL) - a leading ladder-tops manufacturer. A painstaking study of the firm-s practices at the shop floor revealed that Over-production, Waiting time, Excess inventory, and Defects are the major wastes that are impeding their progress and profitability. Design expert8 software was used to apply Taguchi robust design and response surface methodology in order to model, analyse and optimise the wastes cost in CIL. Waiting time and overproduction rank first and second in contributing to the costs of wastes in CIL. For minimal wastes cost the control factors of overproduction, waiting-time, defects and excess-inventory must be set at 0.30, 390.70, 4 and 55.70 respectively for CIL. The optimal value of cost of wastes for the months studied was 22.3679. Finally, a recommendation was made that for the company to enhance their profitability and customer satisfaction, they must adopt the Shingeo Shingo-s Single Minute Exchange of Dies (SMED), which will immediately tackle the waste of waiting by drastically reducing their setup time.

Keywords: Excess-inventory, setup time, single minute exchange of dies, optimal value, over-production, robust design.

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Authors: Mahmoud Beshr, Ivan Andonovic, Moustafa H. Aly

Abstract:

Visible Light Communication (VLC) offers advantages of low energy consumption, licence free and RF interference free operation. One application area for VLC is in the provision of health centred services circumventing issues of interference with any biomedical device within the environment. VLC performamce is affected by natural light restricting systems avilability and relibility. The paper presents an analysis of the performance of VLC systems under different meteorological conditions. The evaluation considered the impact of natural light as a function of different reflection surfaces in different room sizes.

Keywords: Visible light communication, impulse reponse , performance analysis , natural light.

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Authors: Salem Ali Jebreil

Abstract:

In this work, a polyaniline/Iron oxide (PANI/Fe2O3) composite was chemically prepared by oxidative polymerization of aniline in acid medium, in presence of ammonium persulphate as an oxidant and amount of Fe2O3. The composite was characterized by a scanning electron microscopy (SEM). The prepared composite has been used as adsorbent to remove Tartrazine dye form aqueous solutions. The effects of initial dye concentration and temperature on the adsorption capacity of PANI/Fe2O3 for Tartrazine dye have been studied in this paper. The Langmuir and Freundlich adsorption models have been used for the mathematical description of adsorption equilibrium data. The best fit is obtained using the Freundlich isotherm with an R2 value of 0.998. The change of Gibbs energy, enthalpy, and entropy of adsorption has been also evaluated for the adsorption of Tartrazine onto PANI/ Fe2O3. It has been proved according the results that the adsorption process is endothermic in nature.

Keywords: Adsorption, Composite, dye, Polyaniline, Tartrazine.

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Authors: Rehan Jamil, Irfan Jamil, Ming Li, Zhao Jinquan

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Energy is the important source for the development of the society and it‘s the basic support of national economy and the base for human living. As the development of economy, abrupt increase of population and continuous improvement of living standards, the demand of energy increases continuously, which caused the impetuous scramble of energy source in the world, and urged the attention of the countries for current status and development trends of energy.

Keywords: Energy, Energy Supply Situation, Energy Production & Consumption.

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Authors: Amir Anvar, Dong Yang Li

Abstract:

This paper presents an overview of the Ocean wave kinetic energy harvesting system. Energy harvesting is a concept by which energy is captured, stored, and utilized using various sources by employing interfaces, storage devices, and other units. Ocean wave energy harvesting in which the kinetic and potential energy contained in the natural oscillations of Ocean waves are converted into electric power. The kinetic energy harvesting system could be used for a number of areas. The main applications that we have discussed in this paper are to how generate the energy from Ocean wave energy (kinetic energy) to electric energy that is to eliminate the requirement for continual battery replacement.

Keywords: Energy harvesting, power system, oceanic, sensors, autonomous.

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Authors: Batin Latif Aylak, Bernd Noche

Abstract:

Nowadays there are lots of applications of power and free conveyors in logistics. They are the most frequently used conveyor systems worldwide. Overhead conveyor technologies like power and free systems are used in the most intra-logistics applications in trade and industry. The automotive, food, beverage and textile industry as well as aeronautic catering or engineering are among the applications. Power and free systems employ different manufacturing intervals in manufacturing as well as in production as temporary store and buffer. Depending on the application area, power and free conveyors are equipped with target controls enabling complex distribution-and sorting tasks. This article introduces a new power and free conveyor design in intra-logistics and explains its components. According to the explanation of the components, a model is created by means of their technical characteristics. Through the CAD software, the model is visualized. After that, the static analysis is evaluated. This analysis helps the calculation of the mandatory state of structures under force action. This powerful model helps companies achieve lower development costs as well as quicker market maturity.

Keywords: Intra-logistics, material flow, power and free conveyor.

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Authors: Amin Eslami, Jafar Bolouri Bazaz

Abstract:

Excavation and retaining walls are of challenging issues in civil engineering. In this study, the behavior of one important type of supporting systems called Contiguous Bored Pile (CBP) retaining wall is investigated using a physical model. Besides, a comparison is made between two modes of free end piles (soft bed) and fixed end piles (stiff bed). Also a back calculation of effective length (the real free length of pile) is done by measuring lateral deflection of piles in different stages of excavation in both aforementioned cases. Based on observed results, for the fixed end mode, the effective length to free length ratio (Leff/L0) is equal to unity in initial stages of excavation and less than 1 in its final stages in a decreasing manner. While this ratio for free end mode, remains constant during all stages of excavation and is always less than unity.

Keywords: Contiguous Bored Pile Wall, Effective Length, Fixed End, Free End, Free Length.

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Authors: Jin Kyung Park, Ji Yeon Cho, Yong Ho Shim, Su Jin Kim, Bong Gyou Lee

Abstract:

The purpose of this study is to suggest direction for future study of the energy-IT industry that will be used for framework to increase IT utilization in the energy industry. Recently, Green IT is a becoming global issue because of global environmental pollution. Also, IT roles in energy industry are becoming more important. However, the related studies were IT industry oriented that is not sufficient to make plan for Green energy. Therefore, after analyzing existing studies related to Green energy and Green IT, re-categorization for Green energy-IT industry was suggested. Direction of framework is based on energy industry that enable to link between energy and IT. The results of this study suggest comprehensive insight to Green energy-IT industry. Thus it is able to provide useful implications and guidelines to increase IT utilization in the energy industry.

Keywords: Energy-IT Industry, Green Energy, Green IT, IT Utilization

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Authors: Zhichao Jiao, Craig Farnham, Jihui Yuan, Kazuo Emura

Abstract:

It is common to use the outdoor design weather data to select the air-conditioning capacity in the building design stage. The meteorological elements of outdoor design weather data are usually selected based on their excess frequency separately while the dependency between the elements is not well considered. It means that the simultaneous occurrence probability of these elements is smaller than the original excess frequency which may cause an overestimation of selecting air-conditioning capacity. Therefore, the copula approach which can capture the dependency between multivariate data was used to model the joint distributions of the meteorological elements, like air temperature and global solar radiation. We suggest a method based on the specific simultaneous occurrence probability of these two elements of selecting more credible outdoor design conditions. The hourly weather data at 12 noon from 2001 to 2010 in Tokyo, Japan are used to analyze the dependency structure and joint distribution, the Gaussian copula represents the dependence of data best. According to calculating the air temperature and global solar radiation in specific simultaneous occurrence probability and the common exceeding, the results show that both the air temperature and global solar radiation based on simultaneous occurrence probability are lower than these based on the conventional method in the same probability.

Keywords: Copula approach, Design weather database, energy conservation, HVAC.

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Authors: Laila Ozola, Evita Straumite

Abstract:

Celiac disease is a permanent enteropathy caused by the ingestion of gluten, a protein occurring in wheat, rye and barley. The only way of the effective daily treatment is a strict gluten-free diet. From the investigation of products available in the local market, it was found that Latvian producers do not offer gluten-free products. The aim of this research was to study and analyze changes of celiac patient’s attitude to gluten-free product quality and availability in the Latvian market and purchasing habits. The survey was designed using website www.visidati.lv, and a questionnaire was sent to people suffering from celiac disease. The first time the respondents were asked to fill in the questionnaire in 2011, but now repeatedly from the beginning of September 2013 till the end of January 2014. The questionnaire was performed with 75 celiac patients, respondents were from all Latvian regions and they answered 16 questions. One of the most important questions was aimed to find out consumers’ opinion about quality of gluten-free products, consumption patterns of gluten-free products, and, moreover, their interest in products made in Latvia. Respondents were asked to name gluten-free products they mainly buy and give specific purchase locations, evaluate the quality of products and necessity for products produced in Latvia. The results of questionnaire show that the consumers are satisfied with the quality of gluten-free flour, flour blends, sweets and pasta, but are not satisfied with the quality of bread and confectionery available in the Latvian markets.

Keywords: Consumers, gluten-free products, quality, survey.

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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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Authors: Eduardo P. Wiechmann, Jorge A. Henríquez, Pablo E. Aqueveque, Luis G. Muñoz

Abstract:

PV energy prices are declining rapidly. To take advantage of the benefits of those prices and lower the carbon footprint, operational practices must be modified. Undoubtedly, it challenges the electrowinning practice to operate at constant current throughout the day. This work presents a technology that contributes in providing modulation capacity to the electrode current distribution system. This is to raise the day time dc current and lower it at night. The system is a triple intercell bar that operates in current-source mode. The design is a capping board free dogbone type of bar that ensures an operation free of short circuits, hot swapability repairs and improved current balance. This current-source system eliminates the resetting currents circulating in equipotential bars. Twin auxiliary connectors are added to the main connectors providing secure current paths to bypass faulty or impaired contacts. All system conductive elements are positioned over a baseboard offering a large heat sink area to the ventilation of a facility. The system works with lower temperature than a conventional busbar. Of these attributes, the cathode current balance property stands out and is paramount for day/night modulation and the use of photovoltaic energy. A design based on a 3D finite element method model predicting electric and thermal performance under various industrial scenarios is presented. Preliminary results obtained in an electrowinning facility with industrial prototypes are included.

Keywords: Electrowinning, intercell bars, PV energy, current modulation.

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Authors: J. Zamastil, V. Patkos

Abstract:

Recent progress in calculation of the one-loop selfenergy of the electron bound in the Coulomb field is summarized. The relativistic multipole expansion is introduced. This expansion is based on a single assumption: except for the part of the time component of the electron four-momentum corresponding to the electron rest mass, the exchange of four-momentum between the virtual electron and photon can be treated perturbatively. For non Sstates and normalized difference n3
En −
E1 of the S-states this itself yields very accurate results after taking the method to the third order. For the ground state the perturbation treatment of the electron virtual states with very high three-momentum is to be avoided. For these states one can always rearrange the pertinent expression in such a way that free-particle approximation is allowed. Combination of the relativistic multipole expansion and free-particle approximation yields very accurate result after taking the method to the ninth order. These results are in very good agreement with the previous results obtained by the partial wave expansion and definitely exclude the possibility that the uncertainity in determination of the proton radius comes from the uncertainity in the calculation of the one-loop selfenergy.

Keywords: Hydrogen-like atoms, self-energy.

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Authors: F. Keller, G. Reinhart

Abstract:

The efficient and economic allocation of resources is one main goal in the field of production planning and control. Nowadays, a new variable gains in importance throughout the planning process: Energy. Energy-efficiency has already been widely discussed in literature, but with a strong focus on reducing the overall amount of energy used in production. This paper provides a brief systematic approach, how energy-supply-orientation can be used for an energy-cost-efficient production planning and thus combining the idea of energy-efficiency and energy-flexibility.

Keywords: Production planning and control, energy, efficiency, flexibility.

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Authors: Fred Lacy

Abstract:

Electrical resistivity is a fundamental parameter of metals or electrical conductors. Since resistivity is a function of temperature, in order to completely understand the behavior of metals, a temperature dependent theoretical model is needed. A model based on physics principles has recently been developed to obtain an equation that relates electrical resistivity to temperature. This equation is dependent upon a parameter associated with the electron travel time before being scattered, and a parameter that relates the energy of the atoms and their separation distance. Analysis of the energy parameter reveals that the equation is optimized if the proportionality term in the equation is not constant but varies over the temperature range. Additional analysis reveals that the theoretical equation can be used to determine the mean free path of conduction electrons, the number of defects in the atomic lattice, and the ‘equivalent’ charge associated with the metallic bonding of the atoms. All of this analysis provides validation for the theoretical model and provides insight into the behavior of metals where performance is affected by temperatures (e.g., integrated circuits and temperature sensors).

Keywords: Callendar–van Dusen, conductivity, mean free path, resistance temperature detector, temperature sensor.

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Authors: Zamri Noranai, Dayang Siti Zainab Abang Bujang, Rosli Asmawi, Hamidon Salleh, Mohammad Zainal Md Yusof

Abstract:

Air conditioning is mainly to be used as human comfort medium. It has been use more often in country in which the daily temperatures are high. In scientific, air conditioning is defined as a process of controlling the moisture, cooling, heating and cleaning air. Without proper estimation of cooling load, big amount of waste energy been used because of unsuitable of air conditioning system are not considering to overcoming heat gains from surrounding. This is due to the size of the room is too big and the air conditioning has to use more energy to cool the room and the air conditioning is too small for the room. The studies are basically to develop a program to calculate cooling load. Through this study it is easy to calculate cooling load estimation. Furthermore it-s help to compare the cooling load estimation by hourly and yearly. Base on the last study that been done, the developed software are not user-friendly. For individual without proper knowledge of calculating cooling load estimation might be problem. Easy excess and user-friendly should be the main objective to design something. This program will allow cooling load able be estimate by any users rather than estimation by using rule of thumb. Several of limitation of case study is judged to sure it-s meeting to Malaysia building specification. Finally validation is done by comparison manual calculation and by developed program.

Keywords: Building, Energy and Coaling Load

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Authors: Giho Jeong, Sooin Jeong, Kuisoon Kim

Abstract:

It is very important to determine reference temperature when convective temperature because it should be used to calculate the temperature potential. This paper deals with the development of a new method that can determine heat transfer coefficient and reference free stream temperature simultaneously, based on transient heat transfer experiments with using two narrow band thermo-tropic liquid crystals (TLC's). The method is validated through error analysis in terms of the random uncertainties in the measured temperatures. It is shown how the uncertainties in heat transfer coefficient and free stream temperature can be reduced. The general method described in this paper is applicable to many heat transfer models with unknown free stream temperature.

Keywords: Heat transfer coefficient, Thermo-tropic LiquidCrystal (TLC), Free stream temperature.

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Authors: T Panigrahi, G Panda, Mulgrew

Abstract:

This paper introduces a new approach for the performance analysis of adaptive filter with error saturation nonlinearity in the presence of impulsive noise. The performance analysis of adaptive filters includes both transient analysis which shows that how fast a filter learns and the steady-state analysis gives how well a filter learns. The recursive expressions for mean-square deviation(MSD) and excess mean-square error(EMSE) are derived based on weighted energy conservation arguments which provide the transient behavior of the adaptive algorithm. The steady-state analysis for co-related input regressor data is analyzed, so this approach leads to a new performance results without restricting the input regression data to be white.

Keywords: Error saturation nonlinearity, transient analysis, impulsive noise.

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Authors: Supriyono, Sumardiyono, Rendy J. Pramono

Abstract:

Biodiesel is one of the alternative fuels promising for substituting petrodiesel as energy source which has an advantage as it is sustainable and eco-friendly. Due to the raw material that tends to decompose during storage, biodiesel also has the same characteristic that tends to decompose during storage. Biodiesel decomposition will form higher acid value as the result of oxidation to double bond on a fatty acid compound on biodiesel. Thus, free fatty acid value could be used to evaluate degradation of biodiesel due to the oxidation process. High free fatty acid on biodiesel could impact on the engine performance. Decomposition of biodiesel due to oxidation reaction could prevent by introducing a small amount of antioxidant. The origin of raw materials and the process for producing biodiesel will determine the effectiveness of antioxidant. Biodiesel made from high free fatty acid (FFA) crude palm oil (CPO) by using two steps esterification is vulnerable to oxidation process which is resulted in increasing on the FFA value. Tocopherol also known as vitamin E is one of the antioxidant that could improve the stability of biodiesel due to decomposition by the oxidation process. Tocopherol 0.5% concentration on palm oil biodiesel could reduce 13% of increasing FFA under temperature 80 °C and exposing time 180 minute.

Keywords: Antioxidant, biodiesel, decomposition, oxidation, tocopherol.

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Authors: Supriyono, Sumardiyono, Rendy J. Pramono

Abstract:

Biodiesel is one of the alternative fuels promising for substituting petrodiesel as energy source which has an advantage as it is sustainable and eco-friendly. Due to the raw material that tends to decompose during storage, biodiesel also has the same characteristic that tends to decompose during storage. Biodiesel decomposition will form higher acid value as the result of oxidation to double bond on a fatty acid compound on biodiesel. Thus, free fatty acid value could be used to evaluate degradation of biodiesel due to the oxidation process. High free fatty acid on biodiesel could impact on the engine performance. Decomposition of biodiesel due to oxidation reaction could prevent by introducing a small amount of antioxidant. The origin of raw materials and the process for producing biodiesel will determine the effectiveness of antioxidant. Biodiesel made from high free fatty acid (FFA) crude palm oil (CPO) by using two steps esterification is vulnerable to oxidation process which is resulted in increasing on the FFA value. Tocopherol also known as vitamin E is one of the antioxidant that could improve the stability of biodiesel due to decomposition by the oxidation process. Tocopherol 0.5% concentration on palm oil biodiesel could reduce 13% of increasing FFA under temperature 80 °C and exposing time 180 minute.

Keywords: Antioxidant, biodiesel, decomposition, oxidation, tocopherol.

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Authors: Dhananjay C. Joshi, Jung-Hsin Lin

Abstract:

Protein-protein interactions (PPI) play a crucial role in many biological processes such as cell signalling, transcription, translation, replication, signal transduction, and drug targeting, etc. Structural information about protein-protein interaction is essential for understanding the molecular mechanisms of these processes. Structures of protein-protein complexes are still difficult to obtain by biophysical methods such as NMR and X-ray crystallography, and therefore protein-protein docking computation is considered an important approach for understanding protein-protein interactions. However, reliable prediction of the protein-protein complexes is still under way. In the past decades, several grid-based docking algorithms based on the Katchalski-Katzir scoring scheme were developed, e.g., FTDock, ZDOCK, HADDOCK, RosettaDock, HEX, etc. However, the success rate of protein-protein docking prediction is still far from ideal. In this work, we first propose a more practical measure for evaluating the success of protein-protein docking predictions,the rate of first success (RFS), which is similar to the concept of mean first passage time (MFPT). Accordingly, we have assessed the ZDOCK bound and unbound benchmarks 2.0 and 3.0. We also createda new benchmark set for protein-protein docking predictions, in which the complexes have experimentally determined binding affinity data. We performed free energy calculation based on the solution of non-linear Poisson-Boltzmann equation (nlPBE) to improve the binding mode prediction. We used the well-studied thebarnase-barstarsystem to validate the parameters for free energy calculations. Besides,thenlPBE-based free energy calculations were conducted for the badly predicted cases by ZDOCK and ZRANK. We found that direct molecular mechanics energetics cannot be used to discriminate the native binding pose from the decoys.Our results indicate that nlPBE-based calculations appeared to be one of the promising approaches for improving the success rate of binding pose predictions.

Keywords: protein-protein docking, protein-protein interaction, molecular mechanics energetics, Poisson-Boltzmann calculations

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Authors: J. D. Marinaccio, I. Mabbett, C. Glover, D. Worsley

Abstract:

Through use of novel modern/rapid processing techniques such as screen printing and Near-Infrared (NIR) radiative curing, process time for the sintering of sintered nickel plaques, applicable to alkaline nickel battery chemistries, has been drastically reduced from in excess of 200 minutes with conventional convection methods to below 2 minutes using NIR curing methods. Steps have also been taken to remove the need for forming gas as a reducing agent by implementing carbon as an in-situ reducing agent, within the ink formulation.

Keywords: Batteries, energy, iron, nickel, storage.

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Authors: J. Augutis, R. Krikstolaitis, L. Martisauskas

Abstract:

Recently global concerns for the energy security have steadily been on the increase and are expected to become a major issue over the next few decades. Energy security refers to a resilient energy system. This resilient system would be capable of withstanding threats through a combination of active, direct security measures and passive or more indirect measures such as redundancy, duplication of critical equipment, diversity in fuel, other sources of energy, and reliance on less vulnerable infrastructure. Threats and disruptions (disturbances) to one part of the energy system affect another. The paper presents methodology in theoretical background about energy system as an interconnected network and energy supply disturbances impact to the network. The proposed methodology uses a network flow approach to develop mathematical model of the energy system network as the system of nodes and arcs with energy flowing from node to node along paths in the network.

Keywords: Energy Security, Energy Supply Disturbances, Modeling of Energy System, Network Flow

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