Search results for: chemical transport modeling

Authors: Shokofeh Ebrtahimi

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Let G be the chemical graph of a molecule. The matrix D = [dij ] is called the detour matrix of G, if dij is the length of longest path between atoms i and j. The sum of all entries above the main diagonal of D is called the detour index of G.Chemical graph theory is the topology branch of mathematical chemistry which applies graph theory to mathematical modelling of chemical phenomena.[1] The pioneers of the chemical graph theory are Alexandru Balaban, Ante Graovac, Ivan Gutman, Haruo Hosoya, Milan Randić and Nenad TrinajstićLet G be the chemical graph of a molecule. The matrix D = [dij ] is called the detour matrix of G, if dij is the length of longest path between atoms i and j. The sum of all entries above the main diagonal of D is called the detour index of G. In this paper, a new program for computing the detour index of molecular graphs of nanotubes by heptagons is determineded. Some Conjectures about detour index of Molecular graphs of nanotubes is included.

Keywords: chemical graph, detour matrix, Detour index, carbon nanotube

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Authors: Avdhesh K. Sharma

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Formulation for drying and pyrolysis process in packed beds at slow heating rates is presented. Drying of biomass particles bed is described by mass diffusion equation and local moisture-vapour-equilibrium relations. In gasifiers, volatilization rate during pyrolysis of biomass is modeled by using apparent kinetic rate expression, while product compositions at slow heating rates is modeled using empirical fitted mass ratios (i.e., CO/CO₂, ME/CO₂, H₂O/CO₂) in terms of pyrolysis temperature. The drying module is validated fairly with available chemical kinetics scheme and found that the testing zone in gasifier bed constituted of relatively smaller particles having high airflow with high isothermal temperature expedite the drying process. Further, volatile releases more quickly within the shorter zone height at high temperatures (isothermal). Both, moisture loss and volatile release profiles are found to be sensitive to temperature, although the influence of initial moisture content on volatile release profile is not so sensitive.

Keywords: modeling downdraft gasifier, drying, pyrolysis, moist woody biomass

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Authors: A. Maghari, V. M. Maleki

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In this paper, we present a quantum statistical mechanical formulation from our recently analytical expressions for partial-wave transition matrix of a three-particle system. We report the quantum reactive cross sections for three-body scattering processes 1 + (2,3)-> 1 + (2,3) as well as recombination 1 + (2,3) -> 2 + (3,1) between one atom and a weakly-bound dimer. The analytical expressions of three-particle transition matrices and their corresponding cross-sections were obtained from the three-dimensional Faddeev equations subjected to the rank-two non-local separable potentials of the generalized Yamaguchi form. The equilibrium quantum statistical mechanical properties such partition function and equation of state as well as non-equilibrium quantum statistical properties such as transport cross-sections and their corresponding transport collision integrals were formulated analytically. This leads to obtain the transport properties, such as viscosity and diffusion coefficient of a moderate dense gas.

Keywords: statistical mechanics, nonlocal separable potential, three-body interaction, faddeev equations

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Authors: Ernesto Linan, Linda Cruz, Lucero Becerra

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In this paper, a new hybridized algorithm based on Chemical Reaction Optimization and Simulated Annealing is proposed to solve the alignment sequence Problem. The Chemical Reaction Optimization is a population-based meta-heuristic algorithm based on the principles of a chemical reaction. Simulated Annealing is applied to solve a large number of combinatorial optimization problems of general-purpose. In this paper, we propose hybridization between Chemical Reaction Optimization algorithm and Simulated Annealing in order to solve the Sequence Alignment Problem. An initial population of molecules is defined at beginning of the proposed algorithm, where each molecule represents a sequence alignment problem. In order to simulate inter-molecule collisions, the process of Chemical Reaction is placed inside the Metropolis Cycle at certain values of temperature. Inside this cycle, change of molecules is done due to collisions; some molecules are accepted by applying Boltzmann probability. The results with the hybrid scheme are better than the results obtained separately.

Keywords: chemical reaction optimization, sequence alignment problem, simulated annealing algorithm, metaheuristics

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Authors: Anahita Yarahmadi, Nazanin Mahboobi, Nahid Sadat Rahmatpour Nori, Mohammad Hossein Bijeh Keshavarzi, Mohammad Javad Shakori

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This research aimed at considering biological fertilizer effect and chemical fertilizer on the quantitative characteristics of Sweet wormwood (Artemisia annua L.), an experiment was carried out in factorial design in completely randomized design with 4 replications in an experimental greenhouse which was located in Tehran. Experimental treatment involved chemical fertilizers (Nitrogen, Phosphorus) in4 levels and biological fertilizers in 4 levels (control, Nitroxin, Bio-phosphorus and Vemricompost). Results showed that using biological fertilizers and increasing different levels of chemical fertilizers (N, P) had significant effects on all the characteristics. Considering means comparison showed that biological fertilizers lead to significant enhancement on all the characteristics and among biological fertilizers, Vermicompost treatment has the most effect. Considering means comparison tables of different levels of chemical fertilizer have been found that (N80P80) had the most increase on characteristics.

Keywords: Artemisia annua L, bio-fertilizer, chemical fertilizer, vermicompost

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Authors: Abiola Ayopo Abiodun, Zalihe Nalbantoglu

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The electrokinetic application (EKA), a relatively modern chemical treatment has a potential for in-situ ground improvement in an open field or under existing structures. It utilizes a low electrical gradient to transport electrolytic chemical ions between bespoke electrodes inserted in the fine-grained, low permeable soft soils. The paper investigates the efficacy of the EKA as a mitigation technique for the soft clay beds. The laboratory model of the EKA comprises of rectangular plexiglass test tank, electrolytes compartments, geosynthetic electrodes and direct electric current supply. Within this setup, the EK effects resulted from the exchange of ions between anolyte (anodic) and catholyte (cathodic) ends through the tested soil were examined by basic experimental laboratory testing methods. As such, the treated soft soil properties were investigated as a function of the anode-to-cathode distances and curing periods. The test results showed that there have been some changes in the physical and engineering properties of the treated soft soils. The significant changes in the physicochemical and electrical properties suggested that their corresponding changes can be utilized as a monitoring technique to evaluate the improvement in the engineering properties EK treated soft clay soils.

Keywords: electrokinetic, electrolytes, exchange ions, geosynthetic electrodes, soft soils

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Authors: Walid Louhichi, Mouhebeddine Berrima, Narjes Ben Rajed

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Elasticity is the essential property of cloud computing. As the name suggests, it constitutes the ability of a cloud system to adjust resource provisioning in relation to fluctuating workload. There are two types of elasticity operations, vertical and horizontal. In this work, we are interested in horizontal scaling, which is ensured by two mechanisms; scaling in and scaling out. Following the sizing of the system, we can adopt scaling in in the event of over-supply and scaling out in the event of under-supply. In this paper, we propose a formal model, based on colored and temporized Petri nets, for the modeling of the duplication and the removal of a virtual machine from a server. This model is based on formal Petri Nets modeling language. The proposed models are edited, verified, and simulated with two examples implemented in CPNtools, which is a modeling tool for colored and timed Petri nets.

Keywords: cloud computing, elasticity, elasticity controller, petri nets, scaling in, scaling out

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Authors: Cláudia Alcoforado, Anabela Ribeiro

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This paper is part of an ongoing PhD thesis. It seeks to develop a model to identify the spatial failures of the public transportation supply. In the construction of the model, it also seeks to detect the social needs arising from the disadvantage in transport. The case study is carried out for the Brazilian city of Recife. Currently, Recife has a population density of 7,039.64 inhabitants per km². Unfortunately, only 46.9% of urban households on public roads have adequate urbanization. Allied to this reality, the trend of the occupation of the poorest population is that of the peripheries, a fact that has been consolidated in Brazil and Latin America, thus burdening the families' income, since the greater the distances covered for the basic activities and consequently also the transport costs. In this way, there have been great impacts caused by the supply of public transportation to locations with low demand or lack of urban infrastructure. The model under construction uses methods such as Currie’s Gap Assessment associated with the London’s Public Transport Access Level, and the Public Transport Accessibility Index developed by Saghapour. It is intended to present the stage of the thesis with the spatial/need gaps of the neighborhoods of Recife already detected. The benefits of the geographic information system are used in this paper. It should be noted that gaps are determined from the transport supply indices. In this case, considering the presence of walking catchment areas. Still in relation to the detection of gaps, the relevant demand index is also determined. This, in turn, is calculated through indicators that reflect social needs. With the use of the smaller Brazilian geographical unit, the census sector, the model with the inclusion of population density in the study areas should present more consolidated results. Based on the results achieved, an analysis of transportation disadvantage will be carried out as a factor of social exclusion in the study area. It is anticipated that the results obtained up to the present moment, already indicate a strong trend of public transportation in areas of higher income classes, leading to the understanding that the most disadvantaged population migrates to those neighborhoods in search of employment.

Keywords: gap assessment, public transport supply, social exclusion, spatial gaps

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Authors: Guohua Cao, Xu Dong

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X-ray Fluorescence Molecular Imaging (XFMI) holds great promise as a low-cost molecular imaging modality for biomedical applications with high chemical sensitivity. However, for in vivo biomedical applications, a key technical bottleneck is the relatively low chemical sensitivity of XFMI, especially at a reasonably low radiation dose. In laboratory x-ray source based XFMI, one of the main factors that limits the chemical sensitivity of XFMI is the scattered x-rays. We will present our latest findings on improving the chemical sensitivity of XFMI using excitation beam spectrum optimization. XFMI imaging experiments on two mouse-sized phantoms were conducted at three different excitation beam spectra. Our results show that the minimum detectable concentration (MDC) of iodine can be readily increased by five times via excitation spectrum optimization. Findings from this investigation could find use for in vivo pre-clinical small-animal XFMI in the future.

Keywords: molecular imaging, X-ray fluorescence, chemical sensitivity, X-ray scattering

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Authors: Reda Abdel-Aziz

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Agricultural activities in Egypt generate annually around 35 million tons of waste. Composting is one of the most promising technologies to turnover waste in a more economical way, for many centuries. Composting has been used as a mean of recycling organic matter back into the soil to improve soil structure and fertility. Field experiments were conducted in two governorates, Giza and Al-Monofia, to find out the effect of compost with different rates of chemical fertilizers on growth and yield of corn (Zea mays L.) during two constitutive seasons of 2012 and 2013. The experiment, laid out in a randomized complete block design (RCBD), was carried out on five farmers’ fields in each governorate. The treatments were: unfertilized control, full dose of NPK (120, 30, and 50 kg/acre, respectively), compost at rate of 20 ton/acre, compost at rate of 10 ton/acre + 25% of chemical fertilizer, compost at rate of 10 ton/acre + 50% of chemical fertilizer and compost at rate of 10 ton/acre + 75% of chemical fertilizer. Results revealed a superiority of the treatment of compost at rate of 10 ton/acre + 50% of NPK that caused significant improvement in growth, yield and nutrient uptakes of corn in the two governorates during the two constitutive seasons. Results showed that agricultural waste could be composted into value added soil amendment to enhance efficiency of chemical fertilizer. Composting of agricultural waste could also reduce the chemical fertilizers potential hazard to the environment.

Keywords: agricultural waste, compost, chemical fertilizers, corn production, environment

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Authors: Darshini Mahadevia, Kanika Gounder, Saumya Lathia

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Cities, an outcome of natural growth and migration, are ever-expanding due to urban sprawl. In the Global South, urban areas are experiencing a switch from public transport to private vehicles, coupled with intensified urban agglomeration, leading to frequent longer commutes by automobiles. This increase in travel distance and motorized vehicle kilometres lead to unsustainable cities. To achieve the nationally pledged GHG emission mitigation goal, the government is prioritizing a modal shift to low-carbon transport modes like mass transit and paratransit. Mixed land-use and urban densification are crucial for the economic viability of these projects. Informed by desktop assessment of mobility plans and in-person primary surveys, the paper explores the challenges around urban densification and travel patterns in two Indian cities of contrasting nature- Surat, a metropolitan industrial city with a 5.9 million population and a very compact urban form, and Udaipur, a heritage city attracting large international tourists’ footfall, with limited scope for further densification. Dense, mixed-use urban areas often improve access to basic services and economic opportunities by reducing distances and enabling people who don't own personal vehicles to reach them on foot/ cycle. But residents travelling on different modes end up contributing to similar trip lengths, highlighting the non-uniform distribution of land-uses and lack of planned transport infrastructure in the city and the urban-peri urban networks. Additionally, it is imperative to manage these densities to reduce negative externalities like congestion, air/noise pollution, lack of public spaces, loss of livelihood, etc. The study presents a comparison of the relationship between transport systems with the built form in both cities. The paper concludes with recommendations for managing densities in urban areas along with promoting low-carbon transport choices like improved non-motorized transport and public transport infrastructure and minimizing personal vehicle usage in the Global South.

Keywords: India, low-carbon transport, travel behaviour, trip length, urban densification

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Authors: Maris Klavins, Valery Rodinov

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The aim of this study was to analyze long term changes of surface water quality in Latvia, spatial variability of water chemical composition, possible impacts of different pollution sources as well as to analyze the measures to protect national water resources - river basin management. Within this study, the concentrations of major water ingredients and microelements in major rivers and lakes of Latvia have been determined. Metal concentrations in river and lake waters were compared with water chemical composition. The mean concentrations of trace metals in inland waters of Latvia are appreciably lower than the estimated world averages for river waters and close to or lower than background values, unless regional impacts determined by local geochemistry. This may be explained by a comparatively lower level of anthropogenic load. In the same time in several places, direct anthropogenic impacts are evident, regarding influences of point sources both transboundary transport impacts. Also, different processes related to pollution of surface waters in Latvia have been analyzed. At first the analysis of changes and composition of pollutant emissions in Latvia has been realized, and the obtained results were compared with actual composition of atmospheric precipitation and their changes in time.

Keywords: water quality, trend analysis, pollution, human impact

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Authors: Chen Xiong, Tong Xin, Li Hao, Xu Jin-Sheng

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Experiment and simulation researches on the structural integrity of propellant grain in solid rocket motor (SRM) with high volumetric fraction were conducted. First, by using SRM parametric modeling functions with secondary development tool Python of ABAQUS, the three dimensional parameterized modeling programs of star shaped grain, wheel shaped grain and wing cylindrical grain were accomplished. Then, the mechanical properties under different loads for star shaped grain were obtained with the application of automatically established finite element model in ABAQUS. Next, several optimization algorithms are introduced to optimize the star shaped grain, wheel shaped grain and wing cylindrical grain. After meeting the demands of burning surface changes and volumetric fraction, the optimum three dimensional shapes of grain were obtained. Finally, by means of parametric modeling functions, pressure data of SRM’s cold pressurization test was directly applied to simulation of grain in terms of mechanical performance. The results verify the reliability and practical of parameterized modeling program of SRM.

Keywords: cold pressurization test, ğarametric modeling, structural integrity, propellant grain, SRM

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Authors: Hela Ayeb Mrabtini, Ghazi Bellakhal, Jamel Chahed

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The presence of the dispersed phase in gas-liquid bubbly flow considerably alters the liquid turbulence. The bubbles induce turbulent fluctuations that enhance the global liquid turbulence level and alter the mechanisms of turbulence. RANS modeling of uniformly sheared flows on an isolated sphere centered in a control volume is performed using first and second order turbulence closures. The sphere is placed in the production-dissipation equilibrium zone where the liquid velocity is set equal to the relative velocity of the bubbles. The void fraction is determined by the ratio between the sphere volume and the control volume. The analysis of the turbulence statistics on the control volume provides numerical results that are interpreted with regard to the effect of the bubbles wakes on the turbulence structure in uniformly sheared bubbly flow. We assumed for this purpose that at low void fraction where there is no hydrodynamic interaction between the bubbles, the single-phase flow simulation on an isolated sphere is representative on statistical average of a sphere network. The numerical simulations were firstly validated against the experimental data of bubbly homogeneous turbulence with constant shear and then extended to produce numerical results for a wide range of shear rates from 0 to 10 s^-1. These results are compared with our turbulence closure proposed for gas-liquid bubbly flows. In this closure, the turbulent stress tensor in the liquid is split into a turbulent dissipative part produced by the gradient of the mean velocity which also contains the turbulence generated in the bubble wakes and a pseudo-turbulent non-dissipative part induced by the bubbles displacements. Each part is determined by a specific transport equation. The simulations of uniformly sheared flows on an isolated sphere reproduce the mechanisms related to the turbulent part, and the numerical results are in perfect accordance with the modeling of the transport equation of the turbulent part. The reduction of second order turbulence closure provides a description of the modification of turbulence structure by the bubbles presence using a dimensionless number expressed in terms of two-time scales characterizing the turbulence induced by the shear and that induced by bubbles displacements. The numerical simulations carried out in the framework of a comprehensive analysis reproduce particularly the attenuation of the turbulent friction showed in the experimental results of bubbly homogeneous turbulence subjected to a constant shear.

Keywords: gas-liquid bubbly flows, homogeneous turbulence, turbulence closure, uniform shear

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Authors: G. N. Srinivas, K. Raju

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This paper presents Markov processes for determining the reliability indices of distribution system. The continuous Markov modeling is applied to a complex radial distribution system and electrical equivalent circuits are developed for the modeling. In general PSPICE is being used for electrical and electronic circuits and various applications of power system like fault analysis, transient analysis etc. In this paper, the SPICE modeling equivalent circuits which are developed are applied in a novel way to Distribution System reliability analysis. These circuits are simulated using PSPICE software to obtain the state probabilities, the basic and performance indices. Thus the basic indices and the performance indices obtained by this method are compared with those obtained by FMEA technique. The application of the concepts presented in this paper are illustrated and analyzed for IEEE-Roy Billinton Test System (RBTS).

Keywords: distribution system, Markov Model, reliability indices, spice simulation

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Authors: Zeljko Crljen, Predrag Lazic

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Graphene has attracted a tremendous interest in the field of nanoelectronics and spintronics due to its exceptional electronic properties. However, pristine graphene has no band gap, a feature needed in building some of the electronic elements. Recently, a growing attention has been given to a class of carbon allotropes of graphene with honeycomb structures, in particular to graphyne and graphdiyne. They are characterized with a single and double acetylene bonding chains respectively, connecting the nearest-neighbor hexagonal rings. With an electron density comparable to that of graphene and a prominent gap in electronic band structures they appear as promising materials for nanoelectronic components. We studied the electronic structure and transport of infinite sheets of graphyne and graphdiyne and compared them with graphene. The method based on the non-equilibrium Green functions and density functional theory has been used in order to obtain a full ab initio self-consistent description of the transport current with different electrochemical bias potentials. The current/voltage (I/V) characteristics show a semi-conducting behavior with prominent nonlinearities at higher voltages. The calculated band gaps are 0.52V and 0.59V, respectively, and the effective masses are considerably smaller compared to typical semiconductors. We analyzed the results in terms of transmission eigenchannels and showed that the difference in conductance is directly related to the difference of the internal structure of the allotropes.

Keywords: electronic transport, graphene-like structures, nanoelectronics, two-dimensional materials

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Authors: Sherif Sabri, Suzy Fawzi, Sanaa Abdelshafy, Ayman Nagah

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Introduction: Static derangements in lactate homeostasis during ICU stay have become established as a clinically useful marker of increased risk of hospital and ICU mortality. Lactate indices or kinetic alteration of the anaerobic metabolism make it a potential parameter to evaluate disease severity and intervention adequacy. This is an inexpensive and simple clinical parameter that can be obtained by a minimally invasive means. Aim of work: Comparing the predictive value of dynamic indices of hyperlactatemia in the first twenty four hours of intensive care unit (ICU) admission with other static values are more commonly used. Patients and Methods: This study included 40 critically ill patients above 18 years old of both sexes with Hyperlactamia (≥ 2 m mol/L). Patients were divided into septic group (n=20) and low oxygen transport group (n=20), which include all causes of low-O2. Six lactate indices specifically relating to the first 24 hours of ICU admission were considered, three static indices and three dynamic indices. Results: There were no statistically significant differences among the two groups regarding age, most of the laboratory results including ABG and the need for mechanical ventilation. Admission lactate was significantly higher in low-oxygen transport group than the septic group [37.5±11.4 versus 30.6±7.8 P-value 0.034]. Maximum lactate was significantly higher in low-oxygen transport group than the septic group P-value (0.044). On the other hand absolute lactate (mg) was higher in septic group P-value (< 0.001). Percentage change of lactate was higher in the septic group (47.8±11.3) than the low-oxygen transport group (26.1±12.6) with highly significant P-value (< 0.001). Lastly, time weighted lactate was higher in the low-oxygen transport group (1.72±0.81) than the septic group (1.05±0.8) with significant P-value (0.012). There were statistically significant differences regarding lactate indices in survivors and non survivors, whether in septic or low-oxygen transport group. Conclusion: In critically ill patients, time weighted lactate and percent in lactate change in the first 24 hours can be an independent predictive factor in ICU mortality. Also, a rising compared to a falling blood lactate concentration over the first 24 hours can be associated with significant increase in the risk of mortality.

Keywords: critically ill patients, lactate indices, mortality in intensive care, anaerobic metabolism

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Authors: Sami Ayad, Mengshan Lee

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The Sustainable Development Goals (SDGs) were designed to be the best possible blueprint to achieve peace, prosperity, and overall, a better and more sustainable future for the Earth and all its people, and such a blueprint is needed more than ever. The SDGs face many hurdles that will prevent them from becoming a reality, one of such hurdles, arguably, is the chemical pollution and unintended chemical impacts generated through the production of various goods and resources that we consume. Chemical Alternatives Assessment has proven to be a viable solution for chemical pollution management in terms of filtering out hazardous chemicals for a greener alternative. However, the current substitution practice lacks crucial quantitative datasets (exposures and life cycle impacts) to ensure no unintended trade-offs occur in the substitution process. A Chemical Life Cycle Alternative Assessment (CLiCAA) framework is proposed as a reliable and replicable alternative to Life Cycle Based Alternative Assessment (LCAA) as it integrates chemical molecular structure analysis and Chemical Life Cycle Collaborative (CLiCC) web-based tool to fill in data gaps that the former frameworks suffer from. The CLiCAA framework consists of a four filtering layers, the first two being mandatory, with the final two being optional assessment and data extrapolation steps. Each layer includes relevant impact categories of each chemical, ranging from human to environmental impacts, that will be assessed and aggregated into unique scores for overall comparable results, with little to no data. A feasibility study will demonstrate the efficiency and accuracy of CLiCAA whilst bridging both cancer potency and exposure limit data, hoping to provide the necessary categorical impact information for every firm possible, especially those disadvantaged in terms of research and resource management.

Keywords: chemical alternative assessment, LCA, LCAA, CLiCC, CLiCAA, chemical substitution framework, cancer potency data, chemical molecular structure analysis

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Authors: Y. M. Aiyesimi, S. O. Abah, G. T. Okedayo

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A general analysis has been developed to study the chemical reaction effects on unsteady MHD double-diffusive free convective flow over a vertical stretching plate. The governing nonlinear partial differential equations have been reduced to the coupled nonlinear ordinary differential equations by the similarity transformations. The resulting equations are solved numerically by using Runge-Kutta shooting technique. The effects of the chemical parameters are examined on the velocity, temperature and concentration profiles.

Keywords: chemical reaction, MHD, double-diffusive, stretching plate

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Authors: Mahadehe Hassan

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Transport system and industries which are the main basis of industrial and socio-economic development of any country. It is mainly dependent on fossil fuels. Bangladesh has fossil fuel reserves of 9.51 TCF as of July 2023, and if no new gas fields are discovered in the next 7-9 years and if the existing gas consumption rate continues, the fossil fuel reserves will be exhausted. The demand for petroleum products in Bangladesh is increasing steadily, with 63% imported by BPC and 37% imported by private companies. 61.61% of BPC imported products are used in the transport sector and 5.49% in the industrial sector, which is expensive and harmful to the environment. Liquefied Petroleum Gas (LPG) should be considered as an alternative energy for Bangladesh based on Sustainable Development Goals (SDGs) criteria for sustainable, clean and affordable energy. This will not only lead to the much desired mitigation of energy famine in the country but also contribute favorably to the macroeconomic indicators. Considering the environmental and economic issues, the government has referred to CNG (compressed natural gas) as the fuel carrier since 2000, but currently due to the decline mode of gas reserves, the government of Bangladesh is thinking of new energy sources for transport and industrial sectors which will be sustainable, environmentally friendly and economically viable. Liquefied Petroleum Gas (LPG) is the best choice for fueling transport and industrial sectors in Bangladesh. At present, a total of 1.54 million metric tons of liquefied petroleum gas (LPG) is marketed in Bangladesh by the public and private sectors. 83% of it is used by households, 12% by industry and commerce and 5% by transportation. Industrial and transport sector consumption is negligible compared to household consumption. So the purpose of the research is to find out the challenges of LPG market development in transport and industrial sectors in Bangladesh and make recommendations to reduce the challenges. Secure supply chain, inadequate infrastructure, insufficient investment, lack of government monitoring and consumer awareness in the transport sector and industrial sector are major challenges for LPG market development in Bangladesh. Bangladesh government as well as private owners should come forward in the development of liquefied petroleum gas (LPG) industry to reduce the challenges of secure energy sector for sustainable development. Furthermore, ensuring adequate Liquefied Petroleum Gas (LPG) supply in Bangladesh requires government regulations, infrastructure improvements in port areas, awareness raising and most importantly proper pricing of Liquefied Petroleum Gas (LPG) to address the energy crisis in Bangladesh.

Keywords: transportand industries fuel, LPG consumption, challenges, economical sustainability

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Authors: Magdy G. Asaad

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Solitons are among the most beneficial solutions for science and technology for their applicability in physical applications including plasma, energy transport along protein molecules, wave transport along poly-acetylene molecules, ocean waves, constructing optical communication systems, transmission of information through optical fibers and Josephson junctions. In this talk, we will apply the bilinear technique to generate a class of soliton solutions to the (3+1)-dimensional nonlinear soliton equation of Jimbo-Miwa type. Examples of the resulting soliton solutions are computed and a few solutions are plotted.

Keywords: Pfaffian solutions, N-soliton solutions, soliton equations, Jimbo-Miwa

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Authors: Sankara Rao Gollu, Ramakant Sharma, G. Srinivas, Souvik Kundu, Dipti Gupta

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In recent years, bulk heterojunction organic solar cells (BHJ OSCs) based on polymer–fullerene attracted a large research attention due to their numerous advantages such as light weight, easy processability, eco-friendly, low-cost, and capability for large area roll-to-roll manufacturing. BHJ OSCs usually suffer from insufficient light absorption due to restriction on keeping thin ( < 150 nm) photoactive layer because of small exciton diffusion length ( ~ 10 nm) and low charge carrier mobilities. It is thus highly desirable that light absorption as well as charge transport properties are enhanced by alternative methods so as to improve the device efficiency. In this work, therefore, we have focused on the strategy of incorporating metallic nanostructures in the active layer or charge transport layer to enhance the absorption and improve the charge transport.

Keywords: organic solar cell, efficiency, bulk heterojunction, polymer-fullerene

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Authors: Paweł Stączek, Tomasz Plech, Aleksandra Strzelczyk, Katarzyna Dzitko, Monika Wujec, Edyta Kuśmierz, Piotr Paneth, Agata Paneth

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In this contribution, we will describe the inhibitory potency of nine thiosemicarbazide derivatives against bacterial type IIA topoisomerases, their antibacterial profile, and molecular modeling evaluation. We have found that one of the tested compounds, 4-benzoyl-1-(2-methyl-furan-3-ylcarbonyl) thiosemicarbazide, remarkably inhibits the activity of S. aureus DNA gyrase with the IC50 below 5 μM. Besides, this compound displays antibacterial activity on Staphylococcus spp. and E. faecalis at non-cytotoxic concentrations in mammalian cells, with minimal inhibitory concentrations (MICs) values at 25 μg/mL. Based on the enzymatic and molecular modeling studies we propose two factors, i.e. geometry of molecule and hydrophobic/hydrophilic balance as important molecular properties for developing thiosemicarbazide derivatives as potent Staphylococcus aureus DNA gyrase inhibitors.

Keywords: bioactivity, drug design, topoisomerase, molecular modeling

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Authors: R. Ranjith Kumar

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Computer modeling and simulation of human movement is playing an important role in sports and rehabilitation. Accurate modeling and analysis of human knee join is more complex because of complicated structure whose geometry is not easily to represent by a solid model. As part of this project, from the number of CT scan images of human knee join surface reconstruction is carried out using 3D slicer software, an open source software. From this surface reconstruction model, using mesh lab (another open source software) triangular meshes are created on reconstructed surface. This final triangular mesh model is imported to Solid Works, 3D mechanical CAD modeling software. Finally this CAD model is imported to ABAQUS, finite element analysis software for analyzing the knee joints. The results obtained are encouraging and provides an accurate way of modeling and analysis of biological parts without human intervention.

Keywords: solid works, CATIA, Pro-e, CAD

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Authors: Sherif A. Abu El-Magd, Ahmed M. Sefelnasr, Ahmed M. Masoud

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Groundwater modeling is the way and tool for assessing and managing groundwater resources efficiently. The present work was carried out in the ancient Egyptian archeological site (Abydos) fromDynastyIandII.Theareaislocated about 13km west of the River Nilecourse, Upper Egypt. The main problem in this context is that the ground water level rise threatens and damages fragile carvings and paintings of the ancient buildings. The main objective of the present work is to identify the sources of the groundwater recharge in the site, further more, equally important there is to control the ground water level rise. Numerical modeling combined with field water level measurements was implemented to understand the ground water recharge sources. However, building a conceptual model was an important step in the groundwater modeling to phase to satisfy the modeling objectives. Therefore, boreholes, crosssections, and a high-resolution digital elevation model were used to construct the conceptual model. To understand the hydrological system in the site, the model was run under both steady state and transient conditions. Then, the model was calibrated agains the observation of the water level measurements. Finally, the results based on the modeling indicated that the groundwater recharge is originating from an indirect flow path mainly from the southeast. Besides, there is a hydraulic connection between the surface water and groundwater in the study site. The decision-makers and archeologyists could consider the present work to understand the behavior of groundwater recharge and water table level rise.

Keywords: numerical modeling, archeological site, groundwater recharge, egypt

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Authors: Bagus Indrawan Hardi

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Cellular Automata are widely used in land use modeling, it has been proven powerful to simulate land use change for small scale in many large cities in the world. In this paper, we try to implement CA for land use modeling in unique city in Indonesia, Karawang. Instead the complex numerical implementation, CA are simple, and it is accurate and also highly dependable on the on the rules (rule based). The most important to do in CA is how we form and calculate the neighborhood effect. The neighborhood effect represents the environment and relationship situation between the occupied cell and others. We adopted 196 cells of circular neighborhood with 8 cells of radius. For the results, CA works well in this study, we exhibit several analyzed and proceed of zoomed part in Karawang region. The rule set can handle the complexity in land use modeling. However, we cannot strictly believe of the result, many non-technical parameters, such as politics, natural disaster activities, etc. may change the results dramatically.

Keywords: cellular automata (CA), land use change, spatial dynamics, urban sprawl

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Authors: Seyed Abbas Tabatabaei, Fereydoon Moghadas Nejad, Mohammad Saed

Abstract:

The bleeding prediction of the asphalt is one of the most complex subjects in the pavement engineering. In this paper, an Adaptive Neuro Fuzzy Inference System (ANFIS) is used for modeling the effect of important parameters on bleeding is trained and tested with the experimental results. bleeding index based on the asphalt film thickness differential as target parameter,asphalt content, temperature depth of two centemeter, heavy traffic, dust to effective binder, Marshall strength, passing 3/4 sieves, passing 3/8 sieves,passing 3/16 sieves, passing NO8, passing NO50, passing NO100, passing NO200 as input parameters. Then, we randomly divided empirical data into train and test sections in order to accomplish modeling. We instructed ANFIS network by 72 percent of empirical data. 28 percent of primary data which had been considered for testing the approprativity of the modeling were entered into ANFIS model. Results were compared by two statistical criterions (R2, RMSE) with empirical ones. Considering the results, it is obvious that our proposed modeling by ANFIS is efficient and valid and it can also be promoted to more general states.

Keywords: bleeding, asphalt film thickness differential, Anfis Modeling

Procedia PDF Downloads 258

Authors: Azin Nasrollah Zadeh

Abstract:

A factorial experiment was applied to evaluate the effect of chemical and biological fertilizer on yield, total nitrogen uptake and NHI of rice. Four biological treatments including:(M1:no fertilizer),( M2:10 ton/ha cow dung ),(M3:20 ton/ha cow dung) and (M4:5 ton/ha azolla compost) and four chemical fertilizer treatments including: (S1: no fertilizer),(S2:40 kg N /ha),(S3:60 kg N /ha) and ( S4:80 kg N /ha ) were compared. Results showed that highest rate of yield (3387 kg/ha) and total nitrogen uptake (81.4 kg/ha) were reached the highest value at M4. Among the chemical fertilizers the highest grain yield (3373 kg/ha) and total nitrogen uptake (87.7) belonged to highest nitrogen level (S4).Also biological and chemical fertilizers were no significant on Harvest index (NHI). Interaction effect of chemical × biological fertilizers didn't show significant difference between all parameters except of yield, as the most grain yield were obtained in M4S4. So it can be concluded that using of bioilogical fertilizers at appropriate rate and type, considering plant requirement, may improve grain yield, nitrogen uptake and use efficiency in rice.

Keywords: azolla, fertilizer, nitrogen uptake, rice, yield

Procedia PDF Downloads 278

Authors: Temami Oussama, Bessais Lakhdar, Hamadi Djamal, Abderrahmani Sifeddine

Abstract:

The analysis of complex structures encourages the engineer to make simplifying assumptions, sometimes attempting the analysis of the whole structure as complex as it is, and it can be done using the finite element method (FEM). In the modeling of complex structures by finite elements, various elements can be used: beam element, membrane element, solid element, plates and shells elements. These elements formulated according to the classical formulation and do not generally share the same nodal degrees of freedom, which complicates the development of a compatible model. The compatibility of the elements with each other is often a difficult problem for modeling complicated structure. This compatibility is necessary to ensure the convergence. To overcome this problem, we have proposed finite elements with a rotational degree of freedom. The study used is based on the strain approach formulation with 2D and 3D formulation with different degrees of freedom at each node. For the comparison and confrontation of results; the finite elements available in ABAQUS/Standard are used.

Keywords: compatibility requirement, complex structures, finite elements, modeling, strain approach

Procedia PDF Downloads 427

Authors: Xiaodong Wen, Lijuan Liu, Xinfeng Sun

Abstract:

A high power electrodeless plasma thruster is being developed at Lanzhou Institute of Physics. In this thruster, a rotating magnetic field (RMF) driven by two radio-frequency coils which dephased by 90 degrees are applied both for propellant ionization and plasma acceleration. In the ionization stage, a very high azimuthal current can be driven by RMF and then makes plasma forms a field reversed configuration, namely self-confined plasmoid. Profoundly understanding the transport characteristics of the plasmoid in the following acceleration stage is the key to improve the thruster performances. In this paper, a 3D MHD model is established and the influences of the RMF and an applied magnetic field on the self-confined plasmoid acceleration are investigated. The simulation results show that, by applying a RMF with strength and frequency of 250 G and 370 kHz, the plasmoid can be accelerated to an average velocity of 17 km/s at the exit of the thruster.

Keywords: electric space propulsion, field reversed configuration, rotating magnetic field, transport phenomena

Procedia PDF Downloads 118