Search results for: Transport kinetics

Authors: Gerrit Alves, Jürgen Roßmann, Roland Wischnewski

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Today, transport and logistic systems are often tightly integrated in the production. Lean production and just-in-time delivering create multiple constraints that have to be fulfilled. As transport networks often have evolved over time they are very expensive to change. This paper describes a discrete-event-simulation system which simulates transportation models using real time resource routing and collision avoidance. It allows for the specification of own control algorithms and validation of new strategies. The simulation is integrated into a virtual reality (VR) environment and can be displayed in 3-D to show the progress. Simulation elements can be selected through VR metaphors. All data gathered during the simulation can be presented as a detailed summary afterwards. The included cost-benefit calculation can help to optimize the financial outcome. The operation of this approach is shown by the example of a timber harvest simulation.

Keywords: Discrete-Event-Simulation, Logistic, Simulation, Virtual Reality.

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Authors: Stanislovas Buteliauskas, Aušrius Juozapavičius

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City road transport contributes significantly to climate change, and the ongoing world urbanization is only increasing the problem. The paper describes a city planning concept minimizing the number of vehicles on the roads while increasing overall mobility. This becomes possible by utilizing a recently invented two-level road junction with a unique property of serving both as an intersection of uninterrupted traffic and an easily accessible transport hub capable of accumulating private vehicles, and therefore becoming an especially effective park-and-ride solution, and a logistics or business center. Optimized layouts of city road infrastructure, living and work areas, and major roads are presented. The layouts are suitable both for the development of new cities as well as for the expansion of existing ones. Costs of the infrastructure and a positive impact on climate are evaluated in comparison to current city growth patterns.

Keywords: Congestion, city infrastructure, park-and-ride, road junctions.

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Authors: N. Massoum, A. Guen. Bouazza, B. Bouazza, A. El Ouchdi

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The progress of industry integrated circuits in recent years has been pushed by continuous miniaturization of transistors. With the reduction of dimensions of components at 0.1 micron and below, new physical effects come into play as the standard simulators of two dimensions (2D) do not consider. In fact the third dimension comes into play because the transverse and longitudinal dimensions of the components are of the same order of magnitude. To describe the operation of such components with greater fidelity, we must refine simulation tools and adapted to take into account these phenomena. After an analytical study of the static characteristics of the component, according to the different operating modes, a numerical simulation is performed of field-effect transistor with submicron gate MESFET GaInP. The influence of the dimensions of the gate length is studied. The results are used to determine the optimal geometric and physical parameters of the component for their specific applications and uses.

Keywords: Monte Carlo simulation, transient electron transport, MESFET device.

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Authors: Boubekeur Dokkar, Nasreddine Chennouf, Noureddine Settou, Belkhir Negrou, Abdesslam Benmhidi

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The optimal operation of proton exchange membrane fuel cell (PEMFC) requires good water management which is presented under two forms vapor and liquid. Moreover, fuel cells have to reach higher output require integration of some accessories which need electrical power. In order to analyze fuel cells operation and different species transport phenomena a biphasic mathematical model is presented by governing equations set. The numerical solution of these conservation equations is calculated by Matlab program. A multi-criteria optimization with weighting between two opposite objectives is used to determine the compromise solutions between maximum output and minimal stack size. The obtained results are in good agreement with available literature data.

Keywords: Biphasic model, PEM fuel cell, optimization, simulation, specie transport.

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Authors: A. Suñol, D. Vucinic, S.Vanlanduit, T. Markova, A. Aksenov, I. Moskalyov

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Feeder is one of the airships of the Multibody Advanced Airship for Transport (MAAT) system, under development within the EU FP7 project. MAAT is based on a modular concept composed of two different parts that have the possibility to join; respectively they are the so-called Cruiser and Feeder, designed on the lighter than air principle. Feeder, also named ATEN (Airship Transport Elevator Network), is the smaller one which joins the bigger one, Cruiser, also named PTAH (Photovoltaic modular Transport Airship for High altitude),envisaged to happen at 15km altitude. During the MAAT design phase, the aerodynamic studies of the both airships and their interactions are analyzed. The objective of these studies is to understand the aerodynamic behavior of all the preselected configurations, as an important element in the overall MAAT system design. The most of these configurations are only simulated by CFD, while the most feasible one is experimentally analyzed in order to validate and thrust the CFD predictions. This paper presents the numerical and experimental investigation of the Feeder “conical like" shape configuration. The experiments are focused on the aerodynamic force coefficients and the pressure distribution over the Feeder outer surface, while the numerical simulation cover also the analysis of the velocity and pressure distribution. Finally, the wind tunnel experiment is compared with its CFD model in order to validate such specific simulations with respective experiments and to better understand the difference between the wind tunnel and in-flight circumstances.

Keywords: MAAT project Feeder, CFD simulations, wind tunnel experiments, lateral wind influence.

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Authors: Xingxun Li, Xianfeng Fan

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Multiphase flow transport in porous medium is very common and significant in science and engineering applications. For example, in CO2 Storage and Enhanced Oil Recovery processes, CO2 has to be delivered to the pore spaces in reservoirs and aquifers. CO2 storage and enhance oil recovery are actually displacement processes, in which oil or water is displaced by CO2. This displacement is controlled by pore size, chemical and physical properties of pore surfaces and fluids, and also pore wettability. In this study, a technique was developed to measure the pressure profile for driving gas/liquid to displace water in pores. Through this pressure profile, the impact of pore size on the multiphase flow transport and displacement can be analyzed. The other rig developed can be used to measure the static and dynamic pore wettability and investigate the effects of pore size, surface tension, viscosity and chemical structure of liquids on pore wettability.

Keywords: Enhanced oil recovery, Multiphase flow, Pore size, Pore wettability

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Authors: Ntloana Hlabishi Peter

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The availability of public transportation modes and qualitative infrastructure is a burning issue that affects urban sustainability. Public transportation is indispensable in providing adequate transportation means to people at an affordable price, and it promotes public transport reliance. Burgersfort town has a critical condition on the urban public transportation infrastructure which affects the bus and taxi public transport modes and the existing infrastructure. The municipality is regarded as one of the mining towns in Limpopo Province considering the availability of mining activities and proposal on establishment of a Special Economic Zone (SEZ). The study aim is to assess the efficacy of current public transportation infrastructure and to propose relevant recommendations that will unlock the possibility of future supportable public transportation systems. The Key Informant Interview (KII) was used to acquire data on the views from commuters and stakeholders involved. There KII incorporated three relevant questions in relation to services rendered in public transportation. Relevant literature relating to public transportation modes and infrastructure revealed the imperatives of public transportation infrastructure, and relevant legislation was reviewed concerning public transport infrastructure. The finding revealed poor conditions on the public transportation ranks and also inadequate parking space for public transportation modes. The study reveals that 100% of people interviewed were not satisfied with the condition of public transportation infrastructure and 100% are not satisfied with the services offered by public transportation sectors. The findings revealed that the municipality is the main player who can upgrade the existing conditions of public transportation. The study recommended that an intermodal transportation facility must be established to resolve the emerging challenges.

Keywords: Public transportation, modes, infrastructure, urban sustainability.

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Authors: Li Long, Thomas Ortlepp

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The transport properties of carriers in polycrystalline silicon film affect the performance of polycrystalline silicon-based devices. They depend strongly on the grain structure, grain boundary trap properties and doping concentration, which in turn are determined by the film deposition and processing conditions. Based on the properties of charge carriers, phonons, grain boundaries and their interactions, the thermoelectric properties of polycrystalline silicon are analyzed with the relaxation time approximation of the Boltzmann transport equation. With this approach, thermal conductivity, electrical conductivity and Seebeck coefficient as a function of grain size, trap properties and doping concentration can be determined. Experiment on heavily doped polycrystalline silicon is carried out and measurement results are compared with the model.

Keywords: Conductivity, polycrystalline silicon, relaxation time approximation, Seebeck coefficient, thermoelectric property.

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Authors: M. Alqhatani, S. Bajwa, S. Setunge

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Metropolitan areas have suffered from traffic problems, which have steadily increased in many monocentric cities. Urban expansion, population growth, and road network development have resulted in a structural shift toward urban sprawl, increasing commuters’ dependence on private modes of transport. This paper aims to model the influence of socioeconomic and land-use factors on mode choice using a multinomial and nested logit model. Land-use patterns—such as residential, commercial, retail, educational and employment related—affect the choice of mode and destination in the short and medium term. Socioeconomic factors—such as age, gender, income, household size, and house type—also affect choice, while residential location is affected in the long term. Riyadh in Saudi Arabia and Melbourne in Australia were chosen as case studies. Riyadh is a car-dependent city with limited public transport, whereas Melbourne has good public transport but an increase in car dependence. Aggregate level land-use data and disaggregate level individual, household, and journey-to-work data are used to determine the effects of land use and socioeconomic factors on mode choice. The model results determined that urban sprawl is the main factor that affects mode choice, income, and house type.

Keywords: Socioeconomic, land use, mode choice, multinomial logit and nested logit.

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Authors: Olga Orynycz, Andrzej Wasiak

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Mathematical model describing energetic efficiency (defined as a ratio of energy obtained in the form of biofuel to the sum of energy inputs necessary to facilitate production) of agricultural subsystem as a function of technological parameters was developed. Production technology is characterized by parameters of machinery, topological characteristics of the plantation as well as transportation routes inside and outside of plantation. The relationship between the energetic efficiency of agricultural and industrial subsystems is also derived. Due to the assumed large area of the individual field, the operations last for several days increasing inter-fields routes because of several returns. The total distance driven outside of the fields is, however, small as compared to the distance driven inside of the fields. This results in small energy consumption during inter-fields transport that, however, causes a substantial decrease of the energetic effectiveness of the whole system.

Keywords: Biofuel, energetic efficiency, EROEI, mathematical modelling, production system.

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Authors: F. Djeffal, N. Lakhdar, T. Bendib

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The study of the transport coefficients in electronic devices is currently carried out by analytical and empirical models. This study requires several simplifying assumptions, generally necessary to lead to analytical expressions in order to study the different characteristics of the electronic silicon-based devices. Further progress in the development, design and optimization of Silicon-based devices necessarily requires new theory and modeling tools. In our study, we use the PSO (Particle Swarm Optimization) technique as a computational tool to develop analytical approaches in order to study the transport phenomenon of the electron in crystalline silicon as function of temperature and doping concentration. Good agreement between our results and measured data has been found. The optimized analytical models can also be incorporated into the circuits simulators to study Si-based devices without impact on the computational time and data storage.

Keywords: Particle Swarm, electron mobility, Si-based devices, Optimization.

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Authors: Kati Kõrbe Kaare, Ott Koppel

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Transport and logistics are the lifeblood of societies. There is a strong correlation between overall growth in economic activity and growth of transport. The movement of people and goods has the potential for creating wealth and prosperity, therefore the state of transportation infrastructure and especially the condition of road networks is often a governmental priority. The design, building and maintenance of national roads constitute a substantial share of government budgets. Taking into account the magnitude and importance of these investments, the expedience, efficiency and sustainability of these projects are of great public interest. This paper provides an overview of supply chain management principles applied to road construction. In addition, road construction performance measurement systems and ICT solutions are discussed. Road construction in Estonia is analyzed. The authors propose the development of a national performance measurement system for road construction.

Keywords: ICT in road construction, key performance indicators, quality performance measurement, road construction supply chain.

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Authors: C. Patrascioiu, V. Matei, N. Nicolae

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The paper describes the experiments and the kinetic parameters calculus of the gasoil hydrofining. They are presented experimental results of gasoil hidrofining using Mo and promoted with Ni on aluminum support catalyst. The authors have adapted a kinetic model gasoil hydrofining. Using this proposed kinetic model and the experimental data they have calculated the parameters of the model. The numerical calculus is based on minimizing the difference between the experimental sulf concentration and kinetic model estimation.

Keywords: Hydrofining, kinetic, modeling, optimization.

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Authors: S. Priyanto, E.P Friandi

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Yogyakarta, as the capital city of Yogyakarta Province, has important roles in various sectors that require good provision of public transportation system. Ideally, a good transportation system should be able to accommodate the amount of travel demand. This research attempts to develop a trip generation model to predict the number of public transport passenger in Yogyakarta city. The model is built by using multiple linear regression analysis, which establishes relationship between trip number and socioeconomic attributes. The data consist of primary and secondary data. Primary data was collected by conducting household surveys which randomly selected. The resulted model is further applied to evaluate the existing TransJogja, a new Bus Rapid Transit system serves Yogyakarta and surrounding cities, shelters.

Keywords: Multiple linear regression, shelter evaluation, travel demand, trip generation.

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Authors: P. K. Sarkar, Amit Kumar Jain

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The demand for Urban transportation is characterised by a large scale temporal and spatial variations which causes heavy congestion inside metro trains in peak hours near Centre Business District (CBD) of the city. The conventional approach to address peak hour congestion, metro trains has been to increase the supply by way of introduction of more trains, increasing the length of the trains, optimising the time table to increase the capacity of the system. However, there is a limitation of supply side measures determined by the design capacity of the systems beyond which any addition in the capacity requires huge capital investments. The demand side interventions are essentially required to actually spread the demand across the time and space. In this study, an attempt has been made to identify the potential Transport Demand Management tools applicable to Urban Rail Transportation systems with a special focus on differential pricing. A conceptual price elasticity model has been developed to analyse the effect of various combinations of peak and nonpeak hoursfares on demands. The elasticity values for peak hour, nonpeak hour and cross elasticity have been assumed from the relevant literature available in the field. The conceptual price elasticity model so developed is based on assumptions which need to be validated with actual values of elasticities for different segments of passengers. Once validated, the model can be used to determine the peak and nonpeak hour fares with an objective to increase overall ridership, revenue, demand levelling and optimal utilisation of assets.

Keywords: Congestion, differential pricing, elasticity, transport demand management, urban transportation.

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Authors: Mohanchur Sakar, K.K.Shukla, K.S.Dasgupta

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This paper attempts to establish the fact that Multi State Network Classification is essential for performance enhancement of Transport protocols over Satellite based Networks. A model to classify Multi State network condition taking into consideration both congestion and channel error is evolved. In order to arrive at such a model an analysis of the impact of congestion and channel error on RTT values has been carried out using ns2. The analysis results are also reported in the paper. The inference drawn from this analysis is used to develop a novel statistical RTT based model for multi state network classification. An Adaptive Multi State Proactive Transport Protocol consisting of Proactive Slow Start, State based Error Recovery, Timeout Action and Proactive Reduction is proposed which uses the multi state network state classification model. This paper also confirms through detail simulation and analysis that a prior knowledge about the overall characteristics of the network helps in enhancing the performance of the protocol over satellite channel which is significantly affected due to channel noise and congestion. The necessary augmentation of ns2 simulator is done for simulating the multi state network classification logic. This simulation has been used in detail evaluation of the protocol under varied levels of congestion and channel noise. The performance enhancement of this protocol with reference to established protocols namely TCP SACK and Vegas has been discussed. The results as discussed in this paper clearly reveal that the proposed protocol always outperforms its peers and show a significant improvement in very high error conditions as envisaged in the design of the protocol.

Keywords: GEO, ns2, Proactive TCP, SACK, Vegas

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Authors: Joohee Kim

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This paper presents a video transmission system using layered multiple description (coding (MDC) and multi-path transport for reliable video communications in wireless ad-hoc networks. The proposed MDC extends a quality-scalable H.264/AVC video coding algorithm to generate two independent descriptions. The two descriptions are transmitted over different paths to a receiver in order to alleviate the effect of unstable channel conditions of wireless adhoc networks. If one description is lost due to transmission erros, then the correctly received description is used to estimate the lost information of the corrupted description. The proposed MD coder maintains an adequate video quality as long as both description are not simultaneously lost. Simulation results show that the proposed MD coding combined with multi-path transport system is largely immune to packet losses, and therefore, can be a promising solution for robust video communications over wireless ad-hoc networks.

Keywords: Multiple description coding, wireless video streaming, rate control.

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Authors: Fei Wang, Kaimin Shih

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The persistent nature of perfluorochemicals (PFCs) has attracted global concern in recent years. Perfluorooctanesulfonate (PFOS) and perfluorooctanoate (PFOA) are the most commonly found PFC compounds, and thus their fate and transport play key roles in PFC distribution in the natural environment. The kinetic behavior of PFOS or PFOA on boehmite consists of a fast adsorption process followed by a slow adsorption process which may be attributed to the slow transport of PFOS or PFOA into the boehmite pore surface. The adsorption isotherms estimated the maximum adsorption capacities of PFOS and PFOA on boehmite as 0.877 μg/m2 and 0.633 μg/m2, with the difference primarily due to their different functional groups. The increase of solution pH led to a moderate decrease of PFOS and PFOA adsorption, owing to the increase of ligand exchange reactions and the decrease of electrostatic interactions. The presence of NaCl in solution demonstrated negative effects for PFOS and PFOA adsorption on boehmite surfaces, with potential mechanisms being electrical double layer compression, competitive adsorption of chloride.

Keywords: PFOS, PFOA, adsorption, electrostatic interaction, ligand exchange

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Authors: Sanchay Vaidya, Sourabh Gupta, Gouresh Singhal

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There are various modes of transport in metro cities in India, auto-rickshaws being one of them. Auto-rickshaws provide connectivity to all the places in the city offering last mile connectivity. Among all the modes of transport the auto-rickshaw industry is the most unorganized and inefficient. Although unions exist in different cities they aren’t good enough to cope up with the upcoming advancements in the field of technology. An introduction of simple technology in this field may do wonders and help increase the revenues. This paper aims to organize this segment under a single umbrella using GPS devices and mobile phones. The paper includes surveys of about 300 auto-rickshaw drivers and 1000 plus commuters across 6 metro cities in India. Carrying out research and analysis provides a base for the development of this model and implementation of this innovative technique, which is discussed in this paper in detail with ample emphasis given on the implementation of this model.

Keywords: Auto-rickshaws, Business Model, GPS device, Mobile application.

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Authors: A. Kospach, A. Mladek, M. Waltenberger, F. Schilling

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In this work, a coupled 1D/3D simulation approach for thermal protection and optimization of a trailer refrigeration power pack unit was developed. With the developed 1D/3D simulation approach thermal critical scenarios, such as summer, high-load scenarios are investigated. The 1D thermal model was built up consisting of the thermal network, which includes different point masses and associated heat transfers, the coolant and oil circuits, as well as the fan unit. The 3D computational fluid dynamics (CFD) model was developed to model the air flow through the power pack unit considering convective heat transfer effects. In the 1D thermal model the temperatures of the individual point masses were calculated, which served as input variables for the 3D CFD model. For the calculation of the point mass temperatures in the 1D thermal model, the convective heat transfer rates from the 3D CFD model were required as input variables. These two variables (point mass temperatures and convective heat transfer rates) were the main couple variables for the coupled 1D/3D simulation model. The coupled 1D/3D model was validated with measurements under normal operating conditions. Coupled simulations for summer high-load case were than performed and compared with a reference case under normal operation conditions. Hot temperature regions and components could be identified. Due to the detailed information about the flow field, temperatures and heat fluxes, it was possible to directly derive improvement suggestions for the cooling design of the transport refrigeration power pack unit.

Keywords: Coupled thermal simulation, thermal analysis, transport refrigeration unit, 3D computational fluid dynamics, 1D thermal modelling, thermal management systems.

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Authors: S. Meziane, H. I. Faraoun, C. Esling

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Transition metal dichalcogenides have potential applications in power generation devices that convert waste heat into electric current by the so-called Seebeck and Hall effects thus providing an alternative energy technology to reduce the dependence on traditional fossil fuels. In this study, the thermoelectric properties of 1T and 2HTaX2 (X= S or Se) dichalcogenide superconductors have been computed using the semi-classical Boltzmann theory. Technologically, the task is to fabricate suitable materials with high efficiency. It is found that 2HTaS2 possesses the largest value of figure of merit ZT= 1.27 at 175 K. From a scientific point of view, we aim to model the underlying materials properties and in particular the transport phenomena as mediated by electrons and lattice vibrations responsible for superconductivity, Charge Density Waves (CDW) and metal/insulator transitions as function of temperature. The goal of the present work is to develop an understanding of the superconductivity of these selected materials using the transport properties at the fundamental level.

Keywords: Ab initio, high efficiency, power generation devices, transition metal dichalcogenides.

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Authors: Clemens Pizzinini, Philipp Rosner, David Ziegler, Markus Lienkamp

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Transportation is a constitutional part of most supply and value chains in modern economies. Smallholder farmers in rural Ethiopia face severe challenges along their supply and value chains. In particular, suitable, affordable, and available transport services are in high demand. To develop context-specific technical solutions, a problem-to-solution methodology based on the interaction with technology is developed. With this approach, we fill the gap between proven transportation assessment frameworks and general user-centered techniques. Central to our approach is an electric test vehicle that is implemented in rural supply and value chains for research, development, and testing. Based on our objective and the derived methodological requirements, a set of existing methods is  selected. Local partners are integrated in an organizational framework that executes major parts of this research endeavour in Arsi Zone, Oromia Region, Ethiopia.

Keywords: Agricultural value chain, participatory methods, agile methods, sub-Saharan Africa, Ethiopia, electric vehicle, transport service.

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Authors: Danijela Tuljak-Suban, Valter Suban

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Food as perishable goods represents a specific and sensitive part in the supply chain theory, since changing physical or chemical characteristics considerably influence the approach to stock management. The most delicate phase of this process is transportation, where it becomes difficult to ensure the stable conditions which limit deterioration, since the value of the deterioration rate could be easily influenced by the mode of transportation. The fuzzy definition of variables allows one to take these variations into account. Furthermore, an appropriate choice of the defuzzification method permits one to adapt results to real conditions as far as possible. In this article those methods which take into account the relationship between the deterioration rate of perishable goods and transportation by ship will be applied with the aim of (a) minimizing the total cost function, defined as the sum of the ordering cost, holding cost, disposing cost and transportation costs, and (b) improving the supply chain sustainability by reducing environmental impact and waste disposal costs.

Keywords: Perishable goods, fuzzy reasoning, transport by ship, supply chain sustainability.

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Authors: Aisha Tarek Noour, Nick Hubbard

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Learner motivation is considered to be an important component for the Blended e-Learning (BL) Method. BL is an effective learning method in multiple domains, which opens several opportunities for its participants to engage in the learning environment. This research explores the learners’ perspective of BL according to the Self-Determination Theory (SDT). It identifies the opportunities and challenges for using the BL in Logistics Education (LE) in Egyptian Higher Education (HE). SDT is approached from different perspectives within the relationship between Intrinsic Motivation (IM), Extrinsic Motivation (EM) and Amotivation (AM). A self-administered face-to-face questionnaire was used to collect data from learners who were geographically widely spread around three colleges of International Transport and Logistics (CILTs) at the Arab Academy for Science, Technology and Maritime Transport (AAST&MT) in Egypt. Six hundred and sixteen undergraduates responded to a questionnaire survey. Respondents were drawn from three branches in Greater Cairo, Alexandria, and Port Said. The data analysis used was SPSS 22 and AMOS 18.

Keywords: Intrinsic Motivation, Extrinsic Motivation, Amotivation, Blended e-Learning, Self Determination Theory.

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Authors: Rami Darwish

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The transport industry is transitioning to sustainable industrial systems to meet its environmental targets. At the heart of this transition lies the electrification of bus systems, which involves the introduction and testing of sustainable technologies in protected environments for customer evaluation. While the transition necessitates business-model innovation, practical implementation has proven to be complex. This article delves into efforts to present the business model of a bus operator engaged in public procurement with the goal of facilitating the industry's shift towards electrification. Through an in-depth case study, the influence of public contracts’ design on the evolution of a technology and the operator's business model for electrification is explored. While the extant literature suggests that public procurement can facilitate business-model innovation and sustainable development, the findings reveal that public-contract design can limit value creation and value capture in potential business models, locking organizations into existing business models and hindering the socio-technical transition to sustainability. Interestingly, public-procurement contract design can play a pivotal role in preventing sustainable innovations from breaking through. This highlights the importance of contract design as a vehicle for dialogue between businesses and authorities that can enable systemic change. The case study also illuminates a paradoxical scenario in which the transport authority was required to reconcile the efficiency and stability required for bus transport with the potential benefits of electrification technologies promising sustainability. Finally, recommendations for navigating and addressing this tension are provided. The implications of these findings extend to the literature on discontinuous innovation and business-model innovation.

Keywords: Sustainable transition, public procurement, business-model innovation, discontinuous innovation, lock-in.

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Authors: V. Golubev, A. Dosmakanbetova, A. Brener

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The purpose of this work is to establish the theoretical foundations for calculating and designing the sublimationcondensation processes in chemical apparatuses which are intended for production of ultrafine powders of crystalline and amorphous materials with controlled fractional composition. Theoretic analysis of the primary processes of nucleation and growth kinetics of the clusters according to the degree of super-saturation and the homogeneous or heterogeneous nature of nucleation has been carried out. The engineering design procedures of desublimation processes have been offered and tested for modification of the Claus process.

Keywords: Desublimation, controlled fraction composition, nucleation, ultrafine powders.

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Authors: Benedek Kovacs, Janos Toth

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Solutions are proposed for the central problem of estimating the reaction rate coefficients in homogeneous kinetics. The first is based upon the fact that the right hand side of a kinetic differential equation is linear in the rate constants, whereas the second one uses the technique of neural networks. This second one is discussed deeply and its advantages, disadvantages and conditions of applicability are analyzed in the mirror of the first one. Numerical analysis carried out on practical models using simulated data, and our programs written in Mathematica.

Keywords: Neural networks, parameter estimation, linear regression, kinetic models, reaction rate coefficients.

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Authors: Paola Lecca, Lorenzo Dematte

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Reactiondiffusion systems are mathematical models that describe how the concentration of one or more substances distributed in space changes under the influence of local chemical reactions in which the substances are converted into each other, and diffusion which causes the substances to spread out in space. The classical representation of a reaction-diffusion system is given by semi-linear parabolic partial differential equations, whose general form is ÔêétX(x, t) = DΔX(x, t), where X(x, t) is the state vector, D is the matrix of the diffusion coefficients and Δ is the Laplace operator. If the solute move in an homogeneous system in thermal equilibrium, the diffusion coefficients are constants that do not depend on the local concentration of solvent and of solutes and on local temperature of the medium. In this paper a new stochastic reaction-diffusion model in which the diffusion coefficients are function of the local concentration, viscosity and frictional forces of solvent and solute is presented. Such a model provides a more realistic description of the molecular kinetics in non-homogenoeus and highly structured media as the intra- and inter-cellular spaces. The movement of a molecule A from a region i to a region j of the space is described as a first order reaction Ai k- → Aj , where the rate constant k depends on the diffusion coefficient. Representing the diffusional motion as a chemical reaction allows to assimilate a reaction-diffusion system to a pure reaction system and to simulate it with Gillespie-inspired stochastic simulation algorithms. The stochastic time evolution of the system is given by the occurrence of diffusion events and chemical reaction events. At each time step an event (reaction or diffusion) is selected from a probability distribution of waiting times determined by the specific speed of reaction and diffusion events. Redi is the software tool, developed to implement the model of reaction-diffusion kinetics and dynamics. It is a free software, that can be downloaded from http://www.cosbi.eu. To demonstrate the validity of the new reaction-diffusion model, the simulation results of the chaperone-assisted protein folding in cytoplasm obtained with Redi are reported. This case study is redrawing the attention of the scientific community due to current interests on protein aggregation as a potential cause for neurodegenerative diseases.

Keywords: Reaction-diffusion systems, Fick's law, stochastic simulation algorithm.

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Authors: Edison Muzenda, Ayo S. Afolabi

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This paper is a continuation of our interest in the influence of temperature on specific retention volumes and the resulting infinite dilution activity coefficients. This has a direct effect in the design of absorption and stripping columns for the abatement of volatile organic compounds. The interaction of 13 volatile organic compounds (VOCs) with polydimethylsiloxane (PDMS) at varying temperatures was studied by gas liquid chromatography (GLC). Infinite dilution activity coefficients and specific retention volumes obtained in this study were found to be in agreement with those obtained from static headspace and group contribution methods by the authors as well as literature values for similar systems. Temperature variation also allows for transport calculations for different seasons. The results of this work confirm that PDMS is well suited for the scrubbing of VOCs from waste gas streams. Plots of specific retention volumes against temperature gave linear van-t Hoff plots.

Keywords: Specific retention volume, Waste gas streams, specific retention, infinite dilution, abatement, transport.

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Authors: H. Omrani, P. Gerber

Abstract:

Success is a European project that will implement several clean transport offers in three European cities and evaluate the environmental impacts. The goal of these measures is to improve urban mobility or the displacement of residents inside cities. For e.g. park and ride, electric vehicles, hybrid bus and bike sharing etc. A list of 28 criteria and 60 measures has been established for evaluation of these transport projects. The evaluation criteria can be grouped into: Transport, environment, social, economic and fuel consumption. This article proposes a decision support system based that encapsulates a hybrid approach based on fuzzy logic, multicriteria analysis and belief theory for the evaluation of impacts of urban mobility solutions. A web-based tool called DeSSIA (Decision Support System for Impacts Assessment) has been developed that treats complex data. The tool has several functionalities starting from data integration (import of data), evaluation of projects and finishes by graphical display of results. The tool development is based on the concept of MVC (Model, View, and Controller). The MVC is a conception model adapted to the creation of software's which impose separation between data, their treatment and presentation. Effort is laid on the ergonomic aspects of the application. It has codes compatible with the latest norms (XHTML, CSS) and has been validated by W3C (World Wide Web Consortium). The main ergonomic aspect focuses on the usability of the application, ease of learning and adoption. By the usage of technologies such as AJAX (XML and Java Script asynchrones), the application is more rapid and convivial. The positive points of our approach are that it treats heterogeneous data (qualitative, quantitative) from various information sources (human experts, survey, sensors, model etc.).

Keywords: Decision support tool, hybrid approach, urban mobility.

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