Search results for: chemical transport modeling

Authors: Tayebeh Saghapour, Sara Moridpour, Russell George Thompson

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One of the common aims of transport policy makers is to switch people’s travel to active transport. For this purpose, a variety of transport goals and investments should be programmed to increase the propensity towards active transport mode choice. This paper aims to investigate whether built environment features in neighbourhoods could enhance the odds of active transportation. The present study introduces an index measuring public transport accessibility (PTAI), and a walkability index along with socioeconomic variables to investigate mode choice behaviour. Using travel behaviour data, an ordered logit regression model is applied to examine the impacts of explanatory variables on walking trips. The findings indicated that high rates of active travel are consistently associated with higher levels of walking and public transport accessibility.

Keywords: active transport, public transport accessibility, walkability, ordered logit model

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Authors: Urszula Malaga-Toboła, Marek Gugała, Rafał Kornas, Robert Rusinek, Marek Gancarz

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The work focused on presenting the elements that determine the quality of fresh milk in the context of the quality of its transport. The quality of the raw material depends on the quality of transport. Milk transport involves many activities in which, apart from the temperature and sterility of the means of transport, it is important not to expose the raw material to shocks. Recently, there have been changes in the milk supply chain, thus affecting the logistics processes between its links. Based on the conducted research and analyses, it was found that the condition of the road surface on which milk is transported affects its quality. For the T1 milk transport route- gravel roads of very poor and poor quality, the lowest number of bacteria and the highest number of somatic cells, fat content, and temperature of the transported milk were obtained. A well-organized integrated transport system is a real need for most companies today. The analysis showed significant differences in the quality of milk delivered to the dairy.

Keywords: fresh milk, transport, milk quality, dairy

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Authors: Seungho Shin, Keunwoo Choi, Ali Akbar, Sukkee Um

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In this study, the nanoscale transport properties and catalyst utilization of vertically aligned carbon nanotube (VACNT) catalyst layers are computationally predicted by the three-dimensional lattice Boltzmann simulation based on the quasi-random nanostructural model in pursuance of fuel cell catalyst performance improvement. A series of catalyst layers are randomly generated with statistical significance at the 95% confidence level to reflect the heterogeneity of the catalyst layer nanostructures. The nanoscale gas transport phenomena inside the catalyst layers are simulated by the D3Q19 (i.e., three-dimensional, 19 velocities) lattice Boltzmann method, and the corresponding mass transport characteristics are mathematically modeled in terms of structural properties. Considering the nanoscale reactant transport phenomena, a transport-based effective catalyst utilization factor is defined and statistically analyzed to determine the structure-transport influence on catalyst utilization. The tortuosity of the reactant mass transport path of VACNT catalyst layers is directly calculated from the streaklines. Subsequently, the corresponding effective mass diffusion coefficient is statistically predicted by applying the pre-estimated tortuosity factors to the Knudsen diffusion coefficient in the VACNT catalyst layers. The statistical estimation results clearly indicate that the morphological structures of VACNT catalyst layers reduce the tortuosity of reactant mass transport path when compared to conventional catalyst layer and significantly improve consequential effective mass diffusion coefficient of VACNT catalyst layer. Furthermore, catalyst utilization of the VACNT catalyst layer is substantially improved by enhanced mass diffusion and electric current paths despite the relatively poor interconnections of the ion transport paths.

Keywords: Lattice Boltzmann method, nano transport phenomena, polymer electrolyte fuel cells, vertically aligned carbon nanotube

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Authors: Jayantha Withanaarachchi, Sujeeva Setunge, Sara Moridpour

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Gaps in strategic thinking and planning lead to critical transport infrastructure resilience. These gaps in strategic transport and land use development planning have an impact on communities and cities. Natural and man-induced disasters can be catastrophic to communities. After a disaster, many types of critical infrastructure, including transport infrastructure gets un-usable or gets damaged. This paper examines strategic thinking behind the resilience and protection of Critical Transport Infrastructure (CI) within transport networks by investigating the impact of disasters such as bushfires, hurricanes and earthquakes. A detailed analysis of three case studies have been conducted to identify the gaps in strategic transport planning and strategic decision making processes required to mitigate the impacts of disasters. Case studies will be analysed to identify existing gaps in road design, transport planning and decision making. This paper examines the effect of road designing, transport corridors and decision making during transport planning stages and how it impacts transport infrastructure as well as community resilience. A set of recommendations to overcome the shortcomings of existing strategic planning and designing process are presented. This research paper reviews transport infrastructure planning issues and presents the common approach suitable for future strategic thinking and planning which could be adopted in practices.

Keywords: community resilience, decision making , infrastructure resilience, strategic transport planning, transport infrastructure

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Authors: G. Singh, H.Schuster, U. Füssel

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The stability of electric arc and durability of electrode tip used in Tungsten Inert Gas (TIG) welding demand a metallurgical study about the chemical transport mechanism of emitter oxide particles in tungsten electrode during its real welding conditions. The tungsten electrodes doped with emitter oxides of rare earth oxides such as La₂O₃, Th₂O₃, Y₂O₃, CeO₂ and ZrO₂ feature a comparatively lower work function than tungsten and thus have superior emission characteristics due to lesser surface temperature of the cathode. The local change in concentration of these emitter particles in tungsten electrode due to high temperature diffusion (chemical transport) can change its functional properties like electrode temperature, work function, electron emission, and stability of the electrode tip shape. The resulting increment in tip surface temperature results in the electrode material loss. It was also observed that the tungsten recrystallizes to large grains at high temperature. When the shape of grain boundaries are granular in shape, the intergranular diffusion of oxide emitter particles takes more time to reach the electrode surface. In the experimental work, the microstructure of the used electrode's tip surface will be studied by scanning electron microscope and reflective X-ray technique in order to gauge the extent of the diffusion and chemical reaction of emitter particles. Besides, a simulated model is proposed to explain the effect of oxide particles diffusion on the electrode’s microstructure, electron emission characteristics, and electrode tip erosion. This model suggests metallurgical modifications in tungsten electrode to enhance its erosion resistance.

Keywords: rare-earth emitter particles, temperature-dependent diffusion, TIG welding, Tungsten electrode

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Authors: H. Oudira, A. Saifi

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The therapeutic utility of certain Auger emitters such as iodine-125 depends on their position within the cell nucleus . Or diagnostically, and to maintain as low as possible cell damage, it is preferable to have radionuclide localized outside the cell or at least the core. One solution to this problem is to consider markers capable of conveying anticancer drugs to the tumor site regardless of their location within the human body. The objective of this study is to simulate the impact of a complex such as bleomycin on single and double strand breaks in the DNA molecule. Indeed, this simulation consists of the following transactions: - Construction of BLM -Fe- DNA complex. - Simulation of the electron’s transport from the metastable state excitation of Fe 57 by the Monte Carlo method. - Treatment of chemical reactions in the considered environment by the diffusion equation. For physical, physico-chemical and finally chemical steps, the geometry of the complex is considered as a sphere of 50 nm centered on the binding site , and the mathematical method used is called step by step based on Monte Carlo codes.

Keywords: concentration, yield, radical species, bleomycin, excitation, DNA

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Authors: T. Wejrzanowski, M. Grybczuk, E. Tymicki, K. J. Kurzydlowski

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In the present study, numerical simulations of heat and mass transfer in Physical Vapor Transport reactor during silicon carbide single crystal growth are addressed. Silicon carbide is a wide bandgap material with unique properties making it highly applicable for high power electronics applications. Because of high manufacturing costs improvements of SiC production process are required. In this study, numerical simulations were used as a tool of process optimization. Computer modeling allows for cost and time effective analysis of processes occurring during SiC single crystal growth and provides essential information needed for improvement of the process. Quantitative relationship between process conditions, such as temperature or pressure, and crystal growth rate and shape of crystallization front have been studied and verified using experimental data. Basing on modeling results, several process improvements were proposed and implemented.

Keywords: Finite Volume Method, semiconductors, Physica Vapor Transport, silicon carbide

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Authors: Nermin Mahmoud Gohar, Aisha Tarek Noour

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Learner satisfaction has been a vital field of interest in the literature. Accordingly, the paper will explore the reasons behind individual differences in motivation and satisfaction. This study examines the effect of both; Herzberg’s and Maslow’s theories on learners satisfaction. A self-administered questionnaire was used to collect data from learners who were geographically widely spread around the College of Maritime Transport and Technology (CMTT) at the Arab Academy for Science, Technology and Maritime Transport (AAST&MT) in Egypt. One hundred and fifty undergraduates responded to a questionnaire survey. Respondents were drawn from two branches in Alexandria and Port Said. The data analysis used was SPSS 22 and AMOS 18. Factor analysis technique was used to find out the dimensions under study verified by Herzberg’s and Maslow’s theories. In addition, regression analysis and structural equation modeling were applied to find the effect of the above-mentioned theories on maritime transport learners’ satisfaction. Concerning the limitation of this study, it used the available number of learners in the CMTT due to the relatively low population in this field.

Keywords: motivation, satisfaction, needs, education, Herzberg’s and Maslow’s theories

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Authors: Jaroslav Masek, Juraj Camaj, Eva Nedeliakova

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The paper is focused on the operational model for transport the single wagon consignments on railway network by using two different models of train formation. The paper gives an overview of possibilities of improving the quality of transport services. Paper deals with two models used in problematic of train formatting - time continuously and time discrete. By applying these models in practice, the transport company can guarantee a higher quality of service and expect increasing of transport performance. The models are also applicable into others transport networks. The models supplement a theoretical problem of train formation by new ways of looking to affecting the organization of wagon flows.

Keywords: train formation, wagon flows, marshalling yard, railway technology

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Authors: Nadjet Brahmia

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The evolution of urban forms, the new aspects of mobility, the ways of life and economic models make public transport conventional collective low-performing on the majority of largest Algerian cities, particularly in the west of Algeria. On the other side, the information and communication technologies (ICT) open new eventualities to develop a new mode of transport which brings together both the tenders offered by the public service collective and those of the particular vehicle, suitable for urban requirements, social and environmental. Like the concrete examples made in the international countries in terms of on-demand transport systems (ODT) more particularly in the developed countries, this article has for objective the opportunity analysis to establish a service of ODT at the level of a few towns of Oran Wilaya, such a service will be subsequently spread on the totality of the Wilaya if not on the whole of Algeria. In this context, we show the different existing means of transport in the current network whose aim to illustrate the points of insufficiency accented in the present transport system, then we discuss the solutions that may exhibit a service of ODT to the problem studied all around the transport sector, to carry at the end to highlight the capabilities of ODT replying to the transformation of mobilities, this in the light of well-defined cases.

Keywords: mobility, on-demand transport, public transport collective, transport system

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Authors: Csaba I. Hencz, István Á. Harmati

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Nowadays the significance of road transport is gradually increasing. All transport companies are working in the same external environment where the speed of transport is defined by traffic rules. The main objective is to accelerate the speed of service and it is only dependent on the individual abilities of the managing members. These operational control units make decisions quickly (in a typically experiential and/or intuitive way). For this reason, support for these decisions is an important task. Our goal is to create a decision support model based on fuzzy signatures that can assist the work of operational management automatically. If the model sets parameters properly, the management of transport could be more economical and efficient.

Keywords: freight transport, decision support, information handling, fuzzy methods

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Authors: G. Sivakumar, T. Pratyusha, D. Gupta, W. Shen

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To get ohmic contact between the cathode and organic semiconductor, transport layers are introduced between the active layer and the electrodes. Generally zinc oxide or titanium dioxide are used as electron transport layer. When electron transport layer is doped with lithium, the resultant film exhibited superior electronic properties, which enables faster electron transport. Doping is accomplished by heat treatment of films with Lithium salts. Li-doped films. We fabricated organic solar cell using PTB7(poly(3-hexylthiopene-2,5- diyl):PCBM(phenyl-C61-butyric acid methyl ester) and found that the solar cells prepared using Li doped films had better performance in terms of efficiency when compared to the undoped transport layers.

Keywords: electron transport layer, higher efficiency, lithium doping, ohmic contact

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Authors: N. Dahbi, M. Daoudi

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This paper deals with the use of computational method based on Monte Carlo simulation in order to investigate the transport phenomena of the electron in HgCdTe narrow band gap semiconductor. Via this method we can evaluate the time dependence of the transport parameters: velocity, energy and mobility of electrons through matter (HgCdTe).

Keywords: Monte Carlo, transport parameters, HgCdTe, computational mechanics

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Authors: Julius A. Ademokoya, Grace C. Ilori

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Extreme public transport difficulty for persons with disabilities (PWDs) has always been one of the challenges which these individuals experience on a daily basis in Nigeria. Private and public transport vehicles are not disability- friendly. Operators of public transport are often very intolerant of PWDs' conditions. Indeed, many Nigerians believe it is luxury for PWDs to engage in public transport. They are rarely expected to be seen in public much less going to places via public transport means. Initiatives by a few Nigerian states to develop and implement public transport policies for PWDs, therefore, were a huge relief for them and some concerned Nigerians. A few years ago, three southwest Nigerian states (Lagos, Ondo, and Ekiti) came up with some legislative welfare provisions (including transport programmes) for PWDs. This study, therefore, sought to ascertain levels of awareness and implementation of public policies among the PWDs and those expected to implement the policies. The study adopted a mixed method research. Findings across the three states showed that: (1) awareness of public policies among PWDs is low and (2) a considerable scope of the policies is not yet implemented. Recommendations are, therefore, made on how to improve on awareness and implementation of transport policies for PWDs in three south-west Nigerian states.

Keywords: awareness, disability rights, implementation persons with disability, transport policies

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Authors: Matteo Nicoli, Gianvito Colucci, Valeria Di Cosmo, Daniele Lerede, Laura Savoldi

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The transport sector is currently responsible for approximately 1/3 of greenhouse gas emissions in Europe. In the wider context of achieving carbon neutrality of the global energy system, different alternatives are available to decarbonizethe transport sector. In particular, while electricity is already the most consumed energy commodity in rail transport, battery electric vehicles are one of the zero-emissions options on the market for road transportation. On the other hand, hydrogen-based fuel cell vehicles are available for road and non-road vehicles. The European Commission is strongly pushing toward the integration of hydrogen in the energy systems of European countries and its widespread adoption as an energy vector to achieve the Green Deal targets. Furthermore, the Italian government is defining hydrogen-related objectives with the publication of a dedicated Hydrogen Strategy. The adoption of energy system optimization models to study the possible penetration of alternative zero-emitting transport technologies gives the opportunity to perform an overall analysis of the effects that the development of innovative technologies has on the entire energy system and on the supply-side, devoted to the production of energy carriers such as hydrogen and electricity. Using an open-source modeling framework such as TEMOA, this work aims to compare the role of hydrogen and electric vehicles in the decarbonization of the transport sector. The analysis investigates the advantages and disadvantages of adopting the two options, from the economic point of view (costs associated with the two options) and the environmental one (looking at the emissions reduction perspectives). Moreover, an analysis on the profitability of the investments in hydrogen and electric vehicles will be performed. The study investigates the evolution of energy consumption and greenhouse gas emissions in different transportation modes (road, rail, navigation, and aviation) by detailed analysis of the full range of vehicles included in the techno-economic database used in the TEMOA model instance adopted for this work. The transparency of the analysis is guaranteed by the accessibility of the TEMOA models, based on an open-access source code and databases.

Keywords: battery electric vehicles, decarbonization, energy system optimization models, fuel cell vehicles, hydrogen, open-source modeling, TEMOA, transport

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Authors: Tao Zhao, Xianshuo Xu

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Low-carbon public passenger transport is an important part of low carbon city. The CO₂ emissions of public passenger transport in Tianjin from 1995 to 2010 are estimated with IPCC CO₂ counting method, which shows that the total CO₂ emissions of Tianjin public passenger transport have gradually become stable at 1,425.1 thousand tons. And then the CO₂ emissions of the buses, taxies, and rail transits are calculated respectively. A CO₂ emission of 829.9 thousand tons makes taxies become the largest CO₂ emissions source among the public passenger transport in Tianjin. Combining with passenger volume, this paper analyzes the CO₂ emissions proportion of the buses, taxies, and rail transits compare the passenger transport rate with the proportion of CO₂ emissions, as well as the CO₂ emissions change of per 10,000 people. The passenger volume proportion of bus among the three public means of transport is 72.62% which is much higher than its CO₂ emissions proportion of 36.01%, with the minimum number of CO₂ emissions per 10,000 people of 4.90 tons. The countermeasures to reduce CO₂ emissions of public passenger transport in Tianjin are to develop rail transit, update vehicles and use alternative fuel vehicles.

Keywords: public passenger transport, carbon emissions, countermeasures, China

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Authors: Brahmia Nadjet

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The growing needs of displacements led advanced countries in this field install new specific transport systems, able to palliate any deficiencies, especially when regular public transport does not adequately meet the requests of users. In this context, on-demand transport systems (ODT) are very efficient; they rely on techniques based on the location of trip generators which should be assured effectively with the use of operators responsible of the advance reservation, planning and organization, and studying the different ODT criteria (organizational, technical, geographical, etc.). As the advanced countries in the field of transport, some developing countries are involved in the adaptation of the new technologies to reduce the deficit in their communication system. This communication presents the study of an ODT implementation in the west of Algeria, by developing the Geomatics side of the study. This part requires the use of specific systems (such as GIS, RDBMS), so we developed the process through an application in an environment of mobility by using the computer tools dedicated to the management of the entities related to the transport field.

Keywords: ODT, geomatics, GIS, transport systems

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Authors: Paul Dunst, Ing. Tobias Hemsel, Ing. Habil. Walter Sextro

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The use of fine powders with high cohesive and adhesive properties leads to challenges during transport, mixing and dosing in industrial processes, which have not been satisfactorily solved so far. Due to the increased contact forces at the transporting parts (e. g. pipe-wall and transport screws), conventional transport systems and also vibratory conveyors reach their limits. Often, flowability increasing additives that need to be removed again in later process steps are the only option to achieve wanted transport results. A rather new ultrasound-assisted powder transport system showed to overcome some of the issues by manipulating the effective friction between powder and transport pipe. Within this contribution, the transport mechanism will be introduced shortly, together with preliminary transport results. As the tangential force of the transport pipe and the powder is the main influencing factor within the transport process, a test stand for measuring tangential forces of a powder-wall contact in the presence of an ultrasonic vibration orthogonal to the contact plane was built. Measurements for a sample powder show that the effective tangential force can already be significantly reduced at very low ultrasonic amplitude. As a result of the measurements, an empirical model for the relationship of tangential force, contact parameters and ultrasonic excitation is presented. This model was used to adjust the driving parameters of the powder transport system, resulting in better performance.

Keywords: powder transport, ultrasound, friction, friction manipulation, vibratory conveyor

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Authors: Chil-Chyuan Kuo, Chen-Hsuan Tsai

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This study presents a cost-effective approach for rapid fabricating modeling platforms utilized in fused deposition modeling system. A small-batch production of modeling platforms about 20 pieces can be obtained economically through silicone rubber mold using vacuum casting without applying the plastic injection molding. The air venting systems is crucial for fabricating modeling platform using vacuum casting. Modeling platforms fabricated can be used for building rapid prototyping model after sandblasting. This study offers industrial value because it has both time-effectiveness and cost-effectiveness.

Keywords: vacuum casting, fused deposition modeling, modeling platform, sandblasting, surface roughness

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Authors: Kiyoumars Roushangar, Saeid Sadaghian

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Although accurate sediment load prediction is very important in planning, designing, operating and maintenance of water resources structures, the transport mechanism is complex, and the deterministic transport models are based on simplifying assumptions often lead to large prediction errors. In this research, firstly, two intelligent ANN methods, Radial Basis and General Regression Neural Networks, are adopted to model of total sediment load transport into Madani Dam reservoir (north of Iran) using the measured data and then applicability of the sediment transport methods developed by Engelund and Hansen, Ackers and White, Yang, and Toffaleti for predicting of sediment load discharge are evaluated. Based on comparison of the results, it is found that the GRNN model gives better estimates than the sediment rating curve and mentioned classic methods.

Keywords: sediment transport, dam reservoir, RBF, GRNN, prediction

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Authors: D. Tloczynski

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The main aim of this article is to present a balance of the decade of Polish air transport market in the European Union having taking into account selected entities of the aviation market. This article analyzes the functioning of the Polish air transport market after the Polish accession to the European Union. During the study two main areas were pointed: shipping activity and activity of the airports. The most important benefits of integration and the benefits of introducing of the open sky policy were indicated. The last part of the article presents the perspectives of development of air traffic.

Keywords: air transport, airports, development air transport, European Union, Poland

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Authors: K. D. Sharma, M. Parida, S. S. Jain, Anju Saini, V. K. Katiyar

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Air quality models form one of the most important components of an urban air quality management plan. Various statistical modeling techniques (regression, multiple regression and time series analysis) have been used to predict air pollution concentrations in the urban environment. These models calculate pollution concentrations due to observed traffic, meteorological and pollution data after an appropriate relationship has been obtained empirically between these parameters. Artificial neural network (ANN) is increasingly used as an alternative tool for modeling the pollutants from vehicular traffic particularly in urban areas. In the present paper, an attempt has been made to model traffic air pollution, specifically CO concentration using neural networks. In case of CO concentration, two scenarios were considered. First, with only classified traffic volume input and the second with both classified traffic volume and meteorological variables. The results showed that CO concentration can be predicted with good accuracy using artificial neural network (ANN).

Keywords: air quality management, artificial neural network, meteorological variables, statistical modeling

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Authors: Priyanka Agrawal, Janou Koskamp, Amir Raoof, Mariette Wolthers

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Calcite is the main mineral found in carbonate rocks, which form significant hydrocarbon reservoirs and subsurface repositories for CO2 sequestration. The injected CO2 mixes with the reservoir fluid and disturbs the geochemical equilibrium, triggering calcite dissolution. Different combinations of fluid chemistry and injection rate may therefore result in different evolution of porosity, permeability and dissolution patterns. To model the changes in porosity and permeability Kozeny-Carman equation K∝〖(∅)〗^n is used, where K is permeability and ∅ is porosity. The value of n is mostly based on experimental data or pore network models. In pore network models, this derivation is based on accuracy of relation used for conductivity and pore volume change. In fact, at a single pore scale, this relationship is the result of the pore shape development due to dissolution. We have prepared a new reactive transport model for a single pore which simulates the complex chemical reaction of carbonic-acid induced calcite dissolution and subsequent pore-geometry evolution at a single pore scale. We use COMSOL Multiphysics package 5.3 for the simulation. COMSOL utilizes the arbitary-Lagrangian Eulerian (ALE) method for the free-moving domain boundary. We examined the effect of flow rate on the evolution of single pore shape profiles due to calcite dissolution. We used three flow rates to cover diffusion dominated and advection-dominated transport regimes. The fluid in diffusion dominated flow (Pe number 0.037 and 0.37) becomes less reactive along the pore length and thus produced non-uniform pore shapes. However, for the advection-dominated flow (Pe number 3.75), the fast velocity of the fluid keeps the fluid relatively more reactive towards the end of the pore length, thus yielding uniform pore shape. Different pore shapes in terms of inlet opening vs overall pore opening will have an impact on the relation between changing volumes and conductivity. We have related the shape of pore with the Pe number which controls the transport regimes. For every Pe number, we have derived the relation between conductivity and porosity. These relations will be used in the pore network model to get the porosity and permeability variation.

Keywords: single pore, reactive transport, calcite system, moving boundary

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Authors: Mohsen Khaledian, Razali Ismail, Mehdi Saeidmanesh, Mahdiar Hosseinghadiry

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A semi-analytical model for impact ionization coefficient of graphene nanoribbon (GNR) is presented. The model is derived by calculating probability of electrons reaching ionization threshold energy Et and the distance traveled by electron gaining Et. In addition, ionization threshold energy is semi-analytically modeled for GNR. We justify our assumptions using analytic modeling and comparison with simulation results. Gaussian simulator together with analytical modeling is used in order to calculate ionization threshold energy and Kinetic Monte Carlo is employed to calculate ionization coefficient and verify the analytical results. Finally, the profile of ionization is presented using the proposed models and simulation and the results are compared with that of silicon.

Keywords: nanostructures, electronic transport, semiconductor modeling, systems engineering

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Authors: Sarra Zaied, Arthur Bonpain, Pierre Yves Fravallo

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The permanent supply of marine litter implies their accumulation in the oceans, which causes the presence of more compact wastes layers. Their Spatio-temporal distribution is never homogeneous and depends mainly on the hydrodynamic characteristics of the environment and the size and location of the wastes. As part of optimizing collect of marine plastic wastes, it is important to measure and monitor their evolution over time. For this, many research studies have been dedicated to describing the wastes behavior in order to identify their accumulation in oceans areas. Several models are therefore developed to understand the mechanisms that allow the accumulation and the displacements of marine litter. These models are able to accurately simulate the drift of wastes to study their behavior and stranding. However, these works aim to study the wastes behavior over a long period of time and not at the time of waste collection. This work investigates the transport of floating marine litter (FML) to provide basic information that can help in optimizing wastes collection by proposing a model for predicting their behavior during collection. The proposed study is based on a Lagrangian modeling approach that uses the main factors influencing the dynamics of the waste. The performance of the proposed method was assessed on real data collected from the Copernicus Marine Environment Monitoring Service (CMEMS). Evaluation results in the Java Sea (Indonesia) prove that the proposed model can effectively predict the position and the velocity of marine wastes during collection.

Keywords: floating marine litter, lagrangian transport, particle-tracking model, wastes drift

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Authors: K. A. Kemelov, Z. K. Maymekov, D. A. Sambaeva, W. Frenzel

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Benzo(a)pyrene is widespread carcinogenic and mutagenic environmental pollutant, which is formed in combustion processes of carbonaceous materials at high temperature and still health safety problem related benz(a)pyrene continues to remain actual. At the moment the mechanisms of formation of benzo(a)pyrene are not studied in detail, there is not concrete certain full scheme of synthesis of benzo(a)pyrene. Studies in this area are mainly dedicated to development of measuring tools and chemical reactions analyzes, or to obtain specific evidence of a large group of polycyclic aromatic hydrocarbons (PAHs). Consequently in this study we try to create physical and chemical model of oxidation and thermo destruction processes of benzo(a)pyrene, using critical thermodynamical parameters in order to estimate theoretical derivatives of benzo(a)pyrene and which conditions benzo(a)pyrene degraded into more harmful substances. According to this physical and chemical modeling of thermal destruction process of benzo(a)pyrene in wide ranges of change of temperature value were calculated. C20H12 - H2O-O2 system was taken for modeling of thermal destruction process of benzo(a)pyrene in order to establish distribution range of equilibrium structures and concentrations of molecules in a gas phase. Also technological ways of reduction of concentration of benzo(a)pyrene in a gas phase were supposed.

Keywords: benzo(a)pyrene, emission, PAH, thermodynamic parameters

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Authors: Sorin Muraru

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Computational generation of carbon nanostructures is still a very demanding process. This work provides an alternative to manual molecular modeling through an algorithm meant to automate the design of such structures. Specifically, carbon nanochimneys are obtained through the bonding of a carbon nanotube with the smaller edge of an open carbon nanocone. The methods of connection rely on mathematical, geometrical and chemical properties. Non-hexagonal rings are used in order to perform the correct bonding of dangling bonds. Once obtained, they are useful for thermal transport, gas storage or other applications such as gas separation. The carbon nanochimneys are meant to produce a less steep connection between structures such as the carbon nanotube and graphene sheet, as in the pillared graphene, but can also provide functionality on its own. The method relies on connecting dangling bonds at the edges of the two carbon nanostructures, employing the use of two different types of auxiliary structures on a case-by-case basis. The code is implemented in Python 3.7 and generates an output file in the .pdb format containing all the system’s coordinates. Acknowledgment: This work was supported by a grant of the Executive Agency for Higher Education, Research, Development and innovation funding (UEFISCDI), project number PN-III-P1-1.1-TE-2016-24-2, contract TE 122/2018.

Keywords: carbon nanochimneys, computational, carbon nanotube, carbon nanocone, molecular modeling, carbon nanostructures

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Authors: Jingya Liu, Yue Wu, Jiabin Luo

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This work investigates an intermodal transportation system for delivering goods from a Regional Distribution Centre to supermarkets on the Isle of Wight (IOW) via the port of Southampton or Portsmouth in the UK. We consider this integrated logistics chain as a 3-echelon transportation system. In such a system, there are two types of transport methods used to deliver goods across the Solent Channel: one is accompanied transport, which is used by most supermarkets on the IOW, such as Spar, Lidl and Co-operative food; the other is unaccompanied transport, which is used by Aldi. Five transport scenarios are studied based on different transport modes and ferry routes. The aim is to determine an optimal delivery plan for supermarkets of different business scales on IOW, in order to minimise the total running cost, fuel consumptions and carbon emissions. The problem is modelled as a vehicle routing problem with time windows and solved by genetic algorithm. The computing results suggested that accompanied transport is more cost efficient for small and medium business-scale supermarket chains on IOW, while unaccompanied transport has the potential to improve the efficiency and effectiveness of large business scale supermarket chains.

Keywords: genetic algorithm, intermodal transport system, Isle of Wight, optimization, supermarket

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Authors: Leyla Noroozbabaee, David Nickerson

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We introduce a modular, consistent, reusable bond graph model of the renal nephron’s proximal convoluted tubule (PCT), which can reproduce biological behaviour. In this work, we focus on ion and volume transport in the proximal convoluted tubule of the renal nephron. Modelling complex systems requires complex modelling problems to be broken down into manageable pieces. This can be enabled by developing models of subsystems that are subsequently coupled hierarchically. Because they are based on a graph structure. In the current work, we define two modular subsystems: the resistive module representing the membrane and the capacitive module representing solution compartments. Each module is analyzed based on thermodynamic processes, and all the subsystems are reintegrated into circuit theory in network thermodynamics. The epithelial transport system we introduce in the current study consists of five transport membranes and four solution compartments. Coupled dissipations in the system occur in the membrane subsystems and coupled free-energy increasing, or decreasing processes appear in solution compartment subsystems. These structural subsystems also consist of elementary thermodynamic processes: dissipations, free-energy change, and power conversions. We provide free and open access to the Python implementation to ensure our model is accessible, enabling the reader to explore the model through setting their simulations and reproducibility tests.

Keywords: Bond Graph, Epithelial Transport, Water Transport, Mathematical Modeling

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Authors: A.Chen Chao-Chang, Phong Pham-Quoc

Abstract:

Chemical-mechanical polishing (CMP) process has been widely applied on fabricating integrated circuits (IC) with a soft polishing pad combined with slurry composed of micron or nano-scaled abrasives for generating chemical reaction to remove substrate or film materials from wafer. During CMP process, pad uniformity usually works as a datum surface of wafer planarization and pad asperities can dominate the microscopic pad-slurry-wafer interaction. However, pad topography can be changed by related mechanism factors of CMP and it needs to be re-conditioned or dressed by a diamond dresser of well-distributed diamond grits on a disc surface. It is still very complicated to analyze and understand kinematic of diamond dressing process under the effects of input variables including oscillatory of diamond dresser and rotation speed ratio between the pad and the diamond dresser. This paper has developed a generic geometric model to clarify the kinematic modeling of diamond dressing processes such as dresser/pad motion, pad cutting locus, the relative velocity of the diamond abrasive grits on pad surface, and overlap of cutting for prediction of pad surface topography. Simulation results focus on comparing and analysis kinematics of the diamond dressing on certain CMP tools. Results have shown the significant parameters for diamond dressing process and also discussed. Future study can apply on diamond dresser design and experimental verification of pad dressing process.

Keywords: kinematic modeling, diamond dresser, pad cutting locus, CMP

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