Search results for: Poisson equation

Authors: Shyh-Ming Chern

Abstract:

Cubic equations of state (EoS), popular due to their simple mathematical form, ease of use, semi-theoretical nature and reasonable accuracy, are normally fitted to vapor-liquid equilibrium P-v-T data. As a result, they often show poor accuracy in the region near and above the critical point. In this study, the performance of the renowned Peng-Robinson (PR) and Patel-Teja (PT) EoS’s around the critical area has been examined against the P-v-T data of water. Both of them display large deviations at critical point. For instance, PR-EoS exhibits discrepancies as high as 47% for the specific volume, 28% for the enthalpy departure and 43% for the entropy departure at critical point. It is shown that incorporating P-v-T data of the supercritical region into the retuning of a cubic EoS can improve its performance at and above the critical point dramatically. Adopting a retuned acentric factor of 0.5491 instead of its genuine value of 0.344 for water in PR-EoS and a new F of 0.8854 instead of its original value of 0.6898 for water in PT-EoS reduces the discrepancies to about one third or less.

Keywords: Equation of state, EoS, supercritical water, SCW.

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Authors: I. Kruashvili, I. Inashvili, K. Bziava, M. Lomishvili

Abstract:

Seepage capillary anomalies in the active layer of soil, related to the soil water movement, often cause variation of soil hydrophysical properties and become one of the main objectives of the hydroecology. It is necessary to mention that all existing equations for computing the seepage flow particularly from soil channels, through dams, bulkheads, and foundations of hydraulic engineering structures are preferable based on the linear seepage law. Regarding the existing beliefs, anomalous seepage is based on postulates according to which the fluid in free volume is characterized by resistance against shear deformation and is presented in the form of initial gradient. According to the above-mentioned information, we have determined: Equation to calculate seepage coefficient when the velocity of transition flow is equal to seepage flow velocity; by means of power function, equations for the calculation of average and maximum velocities of seepage flow have been derived; taking into consideration the fluid continuity condition, average velocity for calculation of average velocity in capillary tube has been received.

Keywords: Seepage, soil, velocity, water.

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Authors: Li Long, Thomas Ortlepp

Abstract:

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: Jeong-Hyeon Kim, Ki-Yeob Kang, Myung-Hyun Kim, Jae-Myung Lee

Abstract:

Primary barrier of membrane type LNG containment system consist of corrugated 304L stainless steel. This 304L stainless steel is austenitic stainless steel which shows different material behaviors owing to phase transformation during the plastic work. Even though corrugated primary barriers are subjected to significant amounts of pre-strain due to press working, quantitative mechanical behavior on the effect of pre-straining at cryogenic temperatures are not available. In this study, pre-strain level and pre-strain temperature dependent tensile tests are carried to investigate mechanical behaviors. Also, constitutive equations with material parameters are suggested for a verification study.

Keywords: Constitutive equation, corrugated sheet, pre-strain effect, elasto-visco-plastic-damage model, 304L stainless steel.

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Authors: Manan’Iarivo Rasolonjanahary, Chris Bingham, Nigel Schofield, Masoud Bazargan

Abstract:

This paper presents the research and application of model predictive scheduled charging of electric vehicles (EV) subject to limited available power resource. To focus on algorithm and operational characteristics, the EV interface to the source is modelled as a battery state equation during the charging operation. The researched methods allow for the priority scheduling of EV charging in a multi-vehicle regime and when subject to limited source power availability. Priority attribution for each connected EV is described. The validity of the developed methodology is shown through the simulation of different scenarios of charging operation of multiple connected EVs including non-scheduled and scheduled operation with various numbers of vehicles. Performance of the developed algorithms is also reported with the recommendation of the choice of suitable parameters.

Keywords: Model predictive control, non-scheduled, power limited sources, scheduled and stop-start battery charging.

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Authors: Evgeniy Burlutskiy

Abstract:

The paper presents a one-dimensional transient mathematical model of compressible thermal multi-component gas mixture flows in pipes. The set of the mass, momentum and enthalpy conservation equations for gas phase is solved. Thermo-physical properties of multi-component gas mixture are calculated by solving the Equation of State (EOS) model. The Soave-Redlich-Kwong (SRK-EOS) model is chosen. Gas mixture viscosity is calculated on the basis of the Lee-Gonzales-Eakin (LGE) correlation. Numerical analysis on rapid decompression in conventional dry gases is performed by using the proposed mathematical model. The model is validated on measured values of the decompression wave speed in dry natural gas mixtures. All predictions show excellent agreement with the experimental data at high and low pressure. The presented model predicts the decompression in dry natural gas mixtures much better than GASDECOM and OLGA codes, which are the most frequently-used codes in oil and gas pipeline transport service.

Keywords: Mathematical model, Rapid Gas Decompression

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Authors: Theddeus T. Akano, Omotayo A. Fakinlede

Abstract:

The modelling of physical phenomena, such as the earth’s free oscillations, the vibration of strings, the interaction of atomic particles, or the steady state flow in a bar give rise to Sturm- Liouville (SL) eigenvalue problems. The boundary applications of some systems like the convection-diffusion equation, electromagnetic and heat transfer problems requires the combination of Dirichlet and Neumann boundary conditions. Hence, the incorporation of Robin boundary condition in the analyses of Sturm-Liouville problem. This paper deals with the computation of the eigenvalues and eigenfunction of generalized Sturm-Liouville problems with Robin boundary condition using the finite element method. Numerical solution of classical Sturm–Liouville problem is presented. The results show an agreement with the exact solution. High results precision is achieved with higher number of elements.

Keywords: Sturm-Liouville problem, Robin boundary condition, finite element method, eigenvalue problems.

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Authors: Mir Shahriar Emami, Mohammad Reza Meybodi

Abstract:

Prime Factorization based on Quantum approach in two phases has been performed. The first phase has been achieved at Quantum computer and the second phase has been achieved at the classic computer (Post Processing). At the second phase the goal is to estimate the period r of equation xrN ≡ 1 and to find the prime factors of the composite integer N in classic computer. In this paper we present a method based on Randomized Approach for estimation the period r with a satisfactory probability and the composite integer N will be factorized therefore with the Randomized Approach even the gesture of the period is not exactly the real period at least we can find one of the prime factors of composite N. Finally we present some important points for designing an Emulator for Quantum Computer Simulation.

Keywords: Quantum Prime Factorization, RandomizedAlgorithms, Quantum Computer Simulation, Quantum Computation.

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Authors: Yul Y. Nazaruddin, Anas Y. Widiaribowo, Satriyo Nugroho

Abstract:

Boiler is one of the critical unit in a petrochemical plant. Steam produced by the boiler is used for various processes in the plant such as urea and ammonia plant. An alternative method to optimize the boiler combustion system is presented in this paper. Adaptive Neuro-Fuzzy Inference System (ANFIS) approach is applied to model the boiler using real-time operational data collected from a boiler unit of the petrochemical plant. Nonlinear equation obtained is then used to optimize the air to fuel ratio using Genetic Algorithm, resulting an optimal ratio of 15.85. This optimal ratio is then maintained constant by ratio controller designed using inverse dynamics based on ANFIS. As a result, constant value of oxygen content in the flue gas is obtained which indicates more efficient combustion process.

Keywords: ANFIS, boiler, combustion process, genetic algorithm, optimization.

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Authors: Malika Fekih, Mohamed Saighi

Abstract:

Many methods exist for either measuring or estimating evaporation from free water surfaces. Evaporation pans provide one of the simplest, inexpensive, and most widely used methods of estimating evaporative losses. In this study, the rate of evaporation starting from a water surface was calculated by modeling with application to dams in wet, arid and semi arid areas in Algeria. We calculate the evaporation rate from the pan using the energy budget equation, which offers the advantage of an ease of use, but our results do not agree completely with the measurements taken by the National Agency of areas carried out using dams located in areas of different climates. For that, we develop a mathematical model to simulate evaporation. This simulation uses an energy budget on the level of a vat of measurement and a Computational Fluid Dynamics (Fluent). Our calculation of evaporation rate is compared then by the two methods and with the measures of areas in situ.

Keywords: Evaporation, Energy budget, Surface water temperature, CFD, Dams

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Authors: Xiaodong Gao, Pingchuan Dong, Qichao Gao

Abstract:

This work attempts to predict the deposition rate of asphaltene particles in blockage tube through CFD simulation. The Euler-Lagrange equation has been applied during the flow of crude oil and asphaltene particles. The net gravitational force, virtual mass, pressure gradient, Saffman lift, and drag forces are incorporated in the simulations process. Validation of CFD simulation results is compared to the benchmark experiments from the previous literature. Furthermore, the effects of blockage location, blockage length, and blockage thickness on deposition rate are also analyzed. The simulation results indicate that the maximum deposition rate of asphaltene occurs in the blocked tube section, and the greater the deposition thickness, the greater the deposition rate. Moreover, the deposition amount and maximum deposition rate along the length of the tube have the same trend. Results of this study are in the ability to better understand the deposition of asphaltene particles in production and help achieve to deal with the asphaltene challenges.

Keywords: Asphaltene deposition rate, blockage length, blockage thickness, blockage diameter, transient condition.

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Authors: Hoang Van Ngoc, Nguyen Thu Huong, Nguyen Quang Bau

Abstract:

Using the quantum kinetic equation for electrons interacting with acoustic phonon, the density of the constant current associated with the drag of charge carriers in cylindrical quantum wire by a linearly polarized electromagnetic wave, a DC electric field and a laser radiation field is calculated. The density of the constant current is studied as a function of the frequency of electromagnetic wave, as well as the frequency of laser field and the basic elements of quantum wire with a parabolic potential. The analytic expression of the constant current density is numerically evaluated and plotted for a specific quantum wires GaAs/AlGaAs to show the dependence of the constant current density on above parameters. All these results of quantum wire compared with bulk semiconductors and superlattices to show the difference.

Keywords: Photon-drag effect, constant current density, quantum wire, parabolic potential.

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Authors: S. Mehran, S. Rouhi, F.Rouzbahani, E. Haghgoo

Abstract:

In this paper dynamics of a vapour bubble generated due to a local energy input inside a vertical rigid cylinder and in the absence of buoyancy forces is investigated. Different ratios of the diameter of the rigid cylinder to the maximum radius of the bubble are considered. The Boundary Integral Equation Method is employed for numerical simulation of the problem. Results show that during the collapse phase of the bubble inside a vertical rigid cylinder, two liquid micro jets are developed on the top and bottom sides of the vapour bubble and are directed inward. Results also show that existence of a deposit rib inside the vertical rigid cylinder slightly increases the life time of the bubble. It is found that by increasing the ratio of the cylinder diameter to the maximum radius of the bubble, the rate of the growth and collapse phases of the bubble increases and the life time of the bubble decreases.

Keywords: Vapour bubble, Vertical rigid cylinder, Boundaryelement method.

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Authors: A. Maghari, V. H. Maleki

Abstract:

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)→1+(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 threedimensional 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: E. Aruchunan, J. Sulaiman

Abstract:

The objective of this paper is to analyse the application of the Half-Sweep Gauss-Seidel (HSGS) method by using the Half-sweep approximation equation based on central difference (CD) and repeated trapezoidal (RT) formulas to solve linear fredholm integro-differential equations of first order. The formulation and implementation of the Full-Sweep Gauss-Seidel (FSGS) and Half- Sweep Gauss-Seidel (HSGS) methods are also presented. The HSGS method has been shown to rapid compared to the FSGS methods. Some numerical tests were illustrated to show that the HSGS method is superior to the FSGS method.

Keywords: Integro-differential equations, Linear fredholm equations, Finite difference, Quadrature formulas, Half-Sweep iteration.

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Authors: Aicha Rima Cheniti, Hatem Besbes, Joseph Haggege, Christophe Sintes

Abstract:

In this paper, we are interested to determine the carbon dioxide pressure in the arterial blood through radial velocity difference. The blood was modeled as a two phase mixture (an aqueous carbon dioxide solution with carbon dioxide gas) by Drift flux model and the Young-Laplace equation. The distributions of mixture velocities determined from the considered model permitted the calculation of the radial velocity distributions with different values of mean mixture pressure and the calculation of the mean carbon dioxide pressure knowing the mean mixture pressure. The radial velocity distributions are used to deduce a calculation method of the mean mixture pressure through the radial velocity difference between two positions which is measured by ultrasound. The mean carbon dioxide pressure is then deduced from the mean mixture pressure.

Keywords: Mean carbon dioxide pressure, mean mixture pressure, mixture velocity, radial velocity difference.

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Authors: Changhong Guo, Shaomei Fang, Yong He

Abstract:

In this paper, fractional Black-Scholes models for the European option pricing were established based on the fractional G-Brownian motion (fGBm), which generalizes the concepts of the classical Brownian motion, fractional Brownian motion and the G-Brownian motion, and that can be used to be a tool for considering the long range dependence and uncertain volatility for the financial markets simultaneously. A generalized fractional Black-Scholes equation (FBSE) was derived by using the Taylor’s series of fractional order and the theory of absence of arbitrage. Finally, some explicit option pricing formulas for the European call option and put option under the FBSE were also solved, which extended the classical option pricing formulas given by F. Black and M. Scholes.

Keywords: European option pricing, fractional Black-Scholes equations, fractional G-Brownian motion, Taylor’s series of fractional order, uncertain volatility.

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Authors: Catherine Maware, Olufemi Adetunji

Abstract:

The paper is aimed at developing a model to measure the impact of Lean manufacturing deployment on organizational performance. The model will help industry practitioners to assess the impact of implementing Lean constructs on organizational performance. It will also harmonize the measurement models of Lean performance with the house of Lean that seems to have become the industry standard. The sheer number of measurement models for impact assessment of Lean implementation makes it difficult for new adopters to select an appropriate assessment model or deployment methodology. A literature review is conducted to classify the Lean performance model. Pareto analysis is used to select the Lean constructs for the development of the model. The model is further formalized through the use of Structural Equation Modeling (SEM) in defining the underlying latent structure of a Lean system. An impact assessment measurement model developed can be used to measure Lean performance and can be adopted by different industries.

Keywords: Impact measurement model, lean bundles, lean manufacturing, organizational performance.

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Authors: Dler Abdullah Ahmed, Zozan Ahmed Mohammed

Abstract:

This study looked into contact surface temperature during a pin-on-disk test. Friction and wear between sliding surfaces raised the temperature differential between contact surface and ambient temperatures Tdiff. Tdiff was significantly influenced by wear test variables. Tdiff rose with the increase of sliding speed and applied load, while dropped with the increase in ambient temperature. The highest Tdiff was 289 °C during the tests at room temperature and 2.5 m/s sliding speed, while the minimum was only 24 °C during the tests at 400 °C and 0.5 m/s. However, the maximum contact temperature Tmax was found during tests conducted at high ambient temperatures. The Tmax was estimated based on the theoretical equation. The comparison of experimental and theoretical Tmax data was revealed good agreement.

Keywords: Pin-on-disk test, contact temperature, wear, sliding surface, friction, ambient temperature.

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Authors: Oliver Mărunţălu, Gheorghe Lăzăroiu, Elena Elisabeta Manea, Dana Andreya Bondrea, Lăcrămioara Diana Robescu

Abstract:

This paper presents the results obtained by numerical simulation using the software ANSYS CFX-CFD for the air pollutants dispersion in the atmosphere coming from the evacuation of combustion gases resulting from the fuel combustion in an electric thermal power plant. The model uses the Navier-Stokes equation to simulate the dispersion of pollutants in the atmosphere. It is considered as important factors in elaboration of simulation the atmospheric conditions (pressure, temperature, wind speed, wind direction), the exhaust velocity of the combustion gases, chimney height and the obstacles (buildings). Using the air quality monitoring stations it is measured the concentrations of main pollutants (SO2, NOx and PM). The pollutants were monitored over a period of 3 months, after that the average concentration are calculated, which is used by the software. The concentrations are: 8.915 μg/m3 (NOx), 9.587 μg/m3 (SO2) and 42 μg/m3 (PM). A comparison of test data with simulation results demonstrated that CFX was able to describe the dispersion of the pollutant as well the concentration of this pollutants in the atmosphere.

Keywords: Air pollutants, computational fluid dynamics, dispersion, simulation.

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Authors: Deniz Karagöz Yüncü

Abstract:

This study tested a structural model which investigates the relationships among tourists’ need for uniqueness, perceived authenticity (object-based authenticity and existential authenticity) and behavioral intentions to consume cultural and heritage destinations. The sample of the study comprised of 281 participants in a cultural heritage site, in Cappadocia, Turkey. The data were provided via face to face interviews in two months (September and October) which considered the high season. Structural equation modeling was employed to test the causal relationships among the hypotheses. Findings revealed tourists’ creative choice had an influence on object-based authenticity and existential authenticity. Tourists’ avoidance had an influence on object-based authenticity. The study concluded that two dimensions, namely, the object based authenticity and existential authenticity had significant impact on behavioral intentions.

Keywords: Needs for uniqueness, object-based authenticity, existential authenticity, behavioral intentions.

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Authors: Emad Ali, Inas Alnashef, Abdelhamid Ajbar, Mohamed HadjKali, Sarwono Mulyono

Abstract:

In this work, ionic liquids (ILs) for CO2 capturing in typical absorption/stripper process are considered. The use of ionic liquids is considered to be cost-effective because it requires less energy for solvent recovery compared to other conventional processes. A mathematical model is developed for the process based on Peng-Robinson (PR) equation of state (EoS) which is validated with experimental data for various solutions involving CO2. The model is utilized to study the sorbent and energy demand for three types of ILs at specific CO2 capturing rates. The energy demand is manifested by the vapor-liquid equilibrium temperature necessary to remove the captured CO2 from the used solvent in the regeneration step. It is found that higher recovery temperature is required for solvents with higher solubility coefficient. For all ILs, the temperature requirement is less than that required by the typical monoethanolamine (MEA) solvent. The effect of the CO2 loading in the sorbent stream on the process performance is also examined.

Keywords: Ionic liquid, CO2 capturing, CO2 solubility, Vaporliquid equilibrium.

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Authors: M.Z. Islam, C.W. Lim

Abstract:

Based on the standard finite element method, a new finite element method which is known as nonlocal finite element method (NL-FEM) is numerically implemented in this article to study the nonlocal effects for solving 1D nonlocal elastic problem. An Eringen-type nonlocal elastic model is considered. In this model, the constitutive stress-strain law is expressed interms of integral equation which governs the nonlocal material behavior. The new NL-FEM is adopted in such a way that the postulated nonlocal elastic behavior of material is captured by a finite element endowed with a set of (cross-stiffness) element itself by the other elements in mesh. An example with their analytical solutions and the relevant numerical findings for various load and boundary conditions are presented and discussed in details. It is observed from the numerical solutions that the torsional deformation angle decreases with increasing nonlocal nanoscale parameter. It is also noted that the analytical solution fails to capture the nonlocal effect in some cases where numerical solutions handle those situation effectively which prove the reliability and effectiveness of numerical techniques.

Keywords: NL-FEM, nonlocal elasticity, nanoscale, torsion.

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Authors: Moustafa Ahmed, Ahmed Bakry, Fumio Koyama

Abstract:

We report on the use of strong external optical feedback to enhance the modulation response of semiconductor lasers over a frequency passband around modulation frequencies higher than 60 GHz. We show that this modulation enhancement is a type of photon-photon resonance (PPR) of oscillating modes in the external cavity formed between the laser and the external reflector. The study is based on a time-delay rate equation model that takes into account both the strong feedback and multiple reflections in the external cavity. We examine the harmonic and intermodulation distortions associated with single and two-tone modulations in the mm-wave band of the resonant modulation. We show that compared with solitary lasers modulated around the carrier-photon resonance frequency, the present mm-wave modulated signal has lower distortions.

Keywords: Distortion, intensity modulation, optical feedback, semiconductor laser.

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Authors: Muhammad Afzal, Cao Yihua, Zhao Ming

Abstract:

The present work describes a computational study of aerodynamic characteristics of GLC305 airfoil clean and with 16.7 min ice shape (rime 212) and 22.5 min ice shape (glaze 944).The performance of turbulence models SA, Kε, Kω Std, and Kω SST model are observed against experimental flow fields at different Mach numbers 0.12, 0.21, 0.28 in a range of Reynolds numbers 3x106, 6x106, and 10.5x106 on clean and iced aircraft airfoil GLC305. Numerical predictions include lift, drag and pitching moment coefficients at different Mach numbers and at different angle of attacks were done. Accuracy of solutions with respect to the effects of turbulence models, variation of Mach number, initial conditions, grid resolution and grid spacing near the wall made the study much sensitive. Navier Stokes equation based computational technique is used. Results are very close to the experimental results. It has seen that SA and SST models are more efficient than Kε and Kω standard in under study problem.

Keywords: Aerodynamics, Airfoil GLC305, Iced Airfoil, Turbulence Model

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Authors: A. M. Gheitaghy, H. Saffari, G. Q. Zhang

Abstract:

Numerical approach based on the electrical simulation method is proposed to solve a nonlinear transient heat conduction problem with nonlinear boundary for a spherical body. This problem represents a strong nonlinearity in both the governing equation for temperature dependent thermal property and the boundary condition for combined convective and radiative cooling. By analysing the equivalent electrical model using the electrical circuit simulation program HSPICE, transient temperature and heat flux distributions at sphere can be obtained easily and fast. The solutions clearly illustrate the effect of the radiation-conduction parameter N_rc, the Biot number and the linear coefficient of temperature dependent conductivity and heat capacity. On comparing the results with corresponding numerical solutions, the accuracy and efficiency of this computational method is found to be good.

Keywords: Convective boundary, radiative boundary, electrical simulation method, nonlinear heat conduction, spherical coordinate.

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Authors: A. Seleem, M. Mortada, M. El Morsi, M. Younan

Abstract:

Diffusion stills have been effective in water desalination. The present work represents a model of the distillation process by using vertical single-effect diffusion stills. A semianalytical model has been developed to model the process. A software computer code using Engineering Equation Solver EES software has been developed to solve the equations of the developed model. An experimental setup has been constructed, and used for the validation of the model. The model is also validated against former literature results. The results obtained from the present experimental test rig, and the data from the literature, have been compared with the results of the code to find its best range of validity. In addition, a parametric analysis of the system has been developed using the model to determine the effect of operating conditions on the system's performance. The dominant parameters that affect the productivity of the still are the hot plate temperature that ranges from (55- 90°C) and feed flow rate in range of (0.00694-0.0211 kg/m2-s).

Keywords: Analytical Model, Solar Distillation, Sustainable Water Systems, Vertical Diffusion Still.

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Authors: M. H. Kazemi, D. Salac

Abstract:

A semi-implicit phase field method for droplet evolution is proposed. Using the phase field Cahn-Hilliard equation, we are able to track the interface in multiphase flow. The idea of a semi-implicit finite difference scheme is reviewed and employed to solve two nonlinear equations, including the Navier-Stokes and the Cahn-Hilliard equations. The use of a semi-implicit method allows us to have larger time steps compared to explicit schemes. The governing equations are coupled and then solved by a GMRES solver (generalized minimal residual method) using modified Gram-Schmidt orthogonalization. To show the validity of the method, we apply the method to the simulation of a rising droplet, a leaky dielectric drop and the coalescence of drops. The numerical solutions to the phase field model match well with existing solutions over a defined range of variables.

Keywords: Coalescence, leaky dielectric, numerical method, phase field, rising droplet, semi-implicit method.

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Authors: Swati Khanna, Arun Goyal, Vijayanand S. Moholkar

Abstract:

Batch fermentation of 5, 10 and 25 g/L biodiesel derived crude glycerol was carried out at 30, 37 and 450C by Clostridium pasteurianum cells immobilized on silica. Maximum yield of 1,3-propanediol (PDO) (0.60 mol/mol), and ethanol (0.26 mol/mol) were obtained from 10 g/L crude glycerol at 30 and 370C respectively. Maximum yield of butanol (0.28 mol/mol substrate added) was obtained at 370C with 25 g/L substrate. None of the three products were detected at 45oC even after 10 days of fermentation. Only traces of ethanol (0.01 mol/mol) were detected at 450C with 5 g/L substrate. The results obtained for 25 g/L substrate utilization were fitted in first order rate equation to obtain the values of rate constant at three different temperatures for bioconversion of glycerol. First order rate constants for bioconversion of glycerol at 30, 37 and 45oC were found to be 0.198, 0.294 and 0.029/day respectively. Activation energy (Ea) for crude glycerol bioconversion was calculated to be 57.62 kcal/mol.

Keywords: activation energy, Clostridium pasteurianum, crude glycerol, immobilization

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Authors: Ponco Iswanto, Mochammad Chasani, Muhammad Hanafi, Iqmal Tahir, Eva Vaulina YD, Harjono, Lestari Solikhati, Winkanda S. Putra, Yayuk Yuliantini

Abstract:

Quantitative Structure-Activity Relationship (QSAR) approach for discovering novel more active Calanone derivative as anti-leukemia compound has been conducted. There are 6 experimental activities of Calanone compounds against leukemia cell L1210 that are used as material of the research. Calculation of theoretical predictors (independent variables) was performed by AM1 semiempirical method. The QSAR equation is determined by Principle Component Regression (PCR) analysis, with Log IC50 as dependent variable and the independent variables are atomic net charges, dipole moment (μ), and coefficient partition of noctanol/ water (Log P). Three novel Calanone derivatives that obtained by this research have higher activity against leukemia cell L1210 than pure Calanone.

Keywords: AM1 semiempirical calculation, Calanone, Principle Component Regression, QSAR approach.

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