Search results for: Molecular Dynamics

Authors: B. Lakghomi, E. Kolahchian, A. Jalali, F. Farhadi

Abstract:

Different approaches for heating\cooling of stirred tanks, coils and jackets, are investigated using computational fluid dynamics (CFD).A time-dependant sliding mesh approach is applied to simulate the flow in both conditions. The investigations are carried out under the turbulent flow conditions for a Rushton impeller and heating elements are considered isothermal. The flow behavior and temperature distribution are studied for each case and heat transfer coefficient is calculated. Results show different velocity profiles for each case. Unsteady temperature distribution is not similar for different cases .In the case of the coiled stirred vessel more uniform temperature and higher heat transfer coefficient is resulted.

Keywords: CFD, coil and jacket, heat transfer, stirred tank.

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Authors: Azam Marjani, Saeed Shirazian

Abstract:

This work deals with modeling and simulation of SO2 removal in a ceramic membrane by means of FEM. A mass transfer model was developed to predict the performance of SO2 absorption in a chemical solvent. The model was based on solving conservation equations for gas component in the membrane. Computational fluid dynamics (CFD) of mass and momentum were used to solve the model equations. The simulations aimed to obtain the distribution of gas concentration in the absorption process. The effect of the operating parameters on the efficiency of the ceramic membrane was evaluated. The modeling findings showed that the gas phase velocity has significant effect on the removal of gas whereas the liquid phase does not affect the SO2 removal significantly. It is also indicated that the main mass transfer resistance is placed in the membrane and gas phase because of high tortuosity of the ceramic membrane.

Keywords: Gas separation, finite element, ceramic, sulphur dioxide, simulation.

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Authors: Mohammad Hadi Jalali, Behrooz Shahriari, Mostafa Ghayour, Saeed Ziaei-Rad, Shahram Yousefi

Abstract:

Most flexible rotors can be considered as beam-like structures. In many cases, rotors are modeled as one-dimensional bodies, made basically of beam-like shafts with rigid bodies attached to them. This approach is typical of rotor dynamics, both analytical and numerical, and several rotor dynamic codes, based on the finite element method, follow this trend. In this paper, a finite element model based on Timoshenko beam elements is utilized to analyze the lateral dynamic behavior of a certain rotor-bearing system in operating conditions.

Keywords: Finite element method, Operational deflection shape, Timoshenko beam elements, Unbalance response.

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Authors: Sangbum Park, Youngjoon Han

Abstract:

This paper proposes a balance control scheme for a biped robot to trace an arbitrary path using image information. While moving, it estimates the zero moment point(ZMP) of the biped robot in the next step using a Kalman filter and renders an appropriate balanced pose of the robot. The ZMP can be calculated from the robot's pose, which is measured from the reference object image acquired by a CCD camera on the robot's head. For simplifying the kinematical model, the coordinates systems of individual joints of each leg are aligned and the robot motion is approximated as an inverted pendulum so that a simple linear dynamics, 3D-LIPM(3D-Linear Inverted Pendulum Mode) can be applied. The efficiency of the proposed algorithm has been proven by the experiments performed on unknown trajectory.

Keywords: Biped robot, Zero moment point, Balance control, Kalman filter.

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Authors: Ali Samadi Afshar, Sayed Reaza Hashemi

Abstract:

In the gas refineries of Iran-s South Pars Gas Complex, Sulfrex demercaptanization process is used to remove volatile and corrosive mercaptans from liquefied petroleum gases by caustic solution. This process consists of two steps. Removing low molecular weight mercaptans and regeneration exhaust caustic. Some parameters such as LPG feed temperature, caustic concentration and feed-s mercaptan in extraction step and sodium mercaptide content in caustic, catalyst concentration, caustic temperature, air injection rate in regeneration step are effective factors. In this paper was focused on temperature factor that play key role in mercaptans extraction and caustic regeneration. The experimental results demonstrated by optimization of temperature, sodium mercaptide content in caustic because of good oxidation minimized and sulfur impurities in product reduced.

Keywords: Caustic regeneration, demercaptanization, LPG sweetening, mercaptan extraction, temperature.

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Authors: Kumaresh Selvakumar, Man Young Kim

Abstract:

Wet scrubbers have found widespread use in cleaning contaminated gas streams because of their ability to remove particulates and based on the applications of scrubbing of marine engine exhaust gases by spraying sea-water. In order to examine the flow characteristics inside the scrubber, the model is designated with flow properties of hot air and water sprayer. The flow dynamics of evaporation of hot air by the injection of water droplets is the key factor considered in this paper. The flow behavior inside the scrubber was investigated from the previous works and to sum up the evaporation rate with respect to the concentration of water droplets are predicted to bring out the competent modelling. The numerical analysis using CFD facilitates in understanding the problem better and empathies the behavior of the model over its entire operating envelope.

Keywords: Concentration of water droplets, Evaporation rate, Scrubber, Water sprayer.

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Authors: S. Parasuraman, Ler Shiaw Pei

Abstract:

In this paper, the bio-mechanical analysis of human joints is carried out and the study is extended to the robot manipulator. This study will first focus on the kinematics of human arm which include the movement of each joint in shoulder, wrist, elbow and finger complexes. Those analyses are then extended to the design of a human robot manipulator. A simulator is built for Direct Kinematics and Inverse Kinematics of human arm. In the simulation of Direct Kinematics, the human joint angles can be inserted, while the position and orientation of each finger tips (end-effector) are shown. Inverse Kinematics does the reverse of the Direct Kinematics. Based on previous materials obtained from kinematics analysis, the human manipulator joints can be designed to follow prescribed position trajectories.

Keywords: Kinematics, Human Joints, Robotics, Robot Dynamics, Manipulators.

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Authors: H. Bouadi, M. Tadjine

Abstract:

In this paper; we are interested in dynamic modelling of quadrotor while taking into account the high-order nonholonomic constraints as well as the various physical phenomena, which can influence the dynamics of a flying structure. These permit us to introduce a new state-space representation and new control scheme. We present after the development and the synthesis of a stabilizing control laws design based on sliding mode in order to perform best tracking results. It ensures locally asymptotic stability and desired tracking trajectories. Nonlinear observer is then synthesized in order to estimate the unmeasured states and the effects of the external disturbances such as wind and noise. Finally simulation results are also provided in order to illustrate the performances of the proposed controllers.

Keywords: Dynamic modelling, nonholonomic constraints, sliding mode, nonlinear observer.

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Authors: Luciano Garelli, Marco Schauer, Jorge D’Elia, Mario A. Storti, Sabine C. Langer

Abstract:

This paper discuss a coupling strategy of two different software packages to provide fluid structure interaction (FSI) analysis. The basic idea is to combine the advantages of the two codes to create a powerful FSI solver for two and three dimensional analysis. The fluid part is computed by a program called PETSc-FEM a software developed at Centro de Investigaci´on de M´etodos Computacionales –CIMEC. The structural part of the coupled process is computed by the research code elementary Parallel Solver – (ELPASO) of the Technische Universit¨at Braunschweig, Institut f¨ur Konstruktionstechnik (IK).

Keywords: Computational Fluid Dynamics (CFD), Fluid Structure Interaction (FSI), Finite Element Method (FEM).

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Authors: Igor Astrov, Natalya Berezovski

Abstract:

This paper focuses on a critical component of the situational awareness (SA), the control of autonomous vertical flight for vectored thrust aerial vehicle (VTAV). With the SA strategy, we proposed a neural network motion control procedure to address the dynamics variation and performance requirement difference of flight trajectory for a VTAV. This control strategy with using of NARMAL2 neurocontroller for chosen model of VTAV has been verified by simulation of take-off and forward maneuvers using software package Simulink and demonstrated good performance for fast stabilization of motors, consequently, fast SA with economy in energy can be asserted during search-and-rescue operations.

Keywords: NARMA-L2 neurocontroller, situational awareness, vectored thrust aerial vehicle.

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Authors: Sérgio S. de Jesus, Edgar Leonardo Martínez, Aulus R.R. Binelli, Aline Santana, Rubens Maciel Filho

Abstract:

The speed profiles, gas holdup (e_G) and global oxygen transfer coefficient (k_La) from a stirred airlift bioreactor using water as the fluid model, was investigated by computational fluid dynamics modeling. The parameters predicted by the computer model were validated with the experimental dates. The CFD results were very close to those obtained experimentally. During the simulation it was verified a prevalent impeller effect at low speeds, propelling a large volume of fluid against the walls of the vessel, which without recirculation, results in low values of e_G and k_La; however, by increasing air velocity, the impeller effect is smaller with the air flow being greater, in the region of the riser, causing fluid recirculation, which explains the increase in e_G and k_La.

Keywords: CFD, Hydrodynamics, Mass transfer, Stirred airlift bioreactor.

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Authors: H. Aminfar, M. Mohammadpourfard, K. Khajeh

Abstract:

This paper has focused on the most important parameters in the LSC uptake; inlet Re number and Sc number in the presence of non-uniform magnetic field. The magnetic field is arising from the thin wire with electric current placed vertically to the arterial blood vessel. According to the results of this study, applying magnetic field can be a treatment for atherosclerosis by reducing LSC along the vessel wall. Homogeneous porous layer as a arterial wall has been regarded. Blood flow has been considered laminar and incompressible containing Ferro fluid (blood and 4 % vol. Fe₃O₄) under steady state conditions. Numerical solution of governing equations was obtained by using the single-phase model and control volume technique for flow field.

Keywords: LDL Surface Concentration (LSC), Magnetic field, Computational fluid dynamics, Porous wall.

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Authors: M. Sedighizadeh, A. Rezazadeh

Abstract:

Based on the component approach, three kinds of dynamic load models, including a single –motor model, a two-motor model and composite load model have been developed for the stability studies of Khuzestan power system. The study results are presented in this paper. Voltage instability is a dynamic phenomenon and therefore requires dynamic representation of the power system components. Industrial loads contain a large fraction of induction machines. Several models of different complexity are available for the description investigations. This study evaluates the dynamic performances of several dynamic load models in combination with the dynamics of a load changing transformer. Case study is steel industrial substation in Khuzestan power systems.

Keywords: Dynamic load, modeling, Voltage Stability.

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Authors: Hongji Tang, Yanbo Gao, Yue Yu

Abstract:

This paper presents a new nonlinear integral-type sliding surface for synchronizing two different chaotic systems with parametric uncertainty. On the basis of Lyapunov theorem and average dwelling time method, we obtain the control gains of controllers which are derived to achieve chaos synchronization. In order to reduce the gains, the error system is modeled as a switching system. We obtain the sufficient condition drawn for the robust stability of the error dynamics by stability analysis. Then we apply it to guide the design of the controllers. Finally, numerical examples are used to show the robustness and effectiveness of the proposed control strategy.

Keywords: Chaos synchronization, Nonlinear sliding surface, Control gains, Sliding mode control.

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Authors: Liu-Chao Qiu

Abstract:

The damage caused by surge waves generated in water bodies by flow-like landslides can be very high in terms of human lives and economic losses. The complicated phenomena occurred in this highly unsteady process are difficult to model because three interacting phases: air, water and sediment are involved. The problem therefore is challenging since the effects of non-Newtonian fluid describing the rheology of the flow-like landslides, multi-phase flow and free surface have to be included in the simulation. In this work, the commercial computational fluid dynamics (CFD) package FLUENT is used to model the surge waves due to flow-like landslides. The comparison between the numerical results and experimental data reported in the literature confirms the accuracy of the method.

Keywords: Flow-like landslide, surge wave, VOF, non-Newtonian fluids, multi-phase flows, free surface flow.

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Authors: A. V. Goncharova, T. A. Karpenyuk, Y. S. Tsurkan, R. U. Beisembaeva, A. M. Kalbaeva, T. D. Mukasheva, L. V. Ignatova

Abstract:

Microorganisms isolated from water and soil of Kazakhstan to identify potential high-effective producers of the arachidonic acid, exhibiting a wide range of physiological activity and having practical applications were screened. Based on the results of two independent tests (the test on the sensitivity of the growth processes of microorganisms to acetylsalicylic acid - an irreversible inhibitor of PGH-synthase involved in the metabolism of arachidonic acid and its derivatives, the test for inhibition of peroxidase activity of membrane-bounding fraction of PGH - synthase by acetylsalicylic acid) were selected microbial cultures which are potential highproducer of arachidonic acid. They are characterized by a stable strong growth in the laboratory conditions. Identification of microorganism cultures based on morphological, physiological, biochemical and molecular genetic characteristics was performed.

Keywords: Arachidonic acid, aspirin-sensitive culture, bacteria, producers, screening.

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Authors: M. Sedighizadeh, A. Rezazadeh

Abstract:

In this paper a PID control strategy using neural network adaptive RASP1 wavelet for WECS-s control is proposed. It is based on single layer feedforward neural networks with hidden nodes of adaptive RASP1 wavelet functions controller and an infinite impulse response (IIR) recurrent structure. The IIR is combined by cascading to the network to provide double local structure resulting in improving speed of learning. This particular neuro PID controller assumes a certain model structure to approximately identify the system dynamics of the unknown plant (WECS-s) and generate the control signal. The results are applied to a typical turbine/generator pair, showing the feasibility of the proposed solution.

Keywords: Adaptive PID Control, RASP1 Wavelets, WindEnergy Conversion Systems.

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Authors: Thanh-Phong Dao, Shyh-Chour Huang

Abstract:

This study presents a quasi-zero stiffness (QZS) vibration isolator using flexure-based spring mechanisms which afford both negative and positive stiffness elements, which enable self-adjustment. The QZS property of the isolator is achieved at the equilibrium position. A nonlinear mathematical model is then developed, based on the pre-compression of the flexure-based spring mechanisms. The dynamics are further analyzed using the Harmonic Balance method. The vibration attention efficiency is illustrated using displacement transmissibility, which is then compared with the corresponding linear isolator. The effects of parameters on performance are also investigated by numerical solutions. The flexure-based spring mechanisms are subsequently designed using the concept of compliant mechanisms, with evaluation by ANSYS software, and simulations of the QZS isolator.

Keywords: Vibration isolator, quasi-zero stiffness, flexure-based spring mechanisms, compliant mechanism.

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Authors: A. Alhelfi, B. Sunden

Abstract:

Cavitation in cryogenic liquids is widely present in contemporary science. In the current study, we re-examine a previously validated acoustic cavitation model which was developed for a gas bubble in liquid water. Furthermore, simulations of cryogenic fluids including the thermal effect, the effect of acoustic pressure amplitude and the frequency of sound field on the bubble dynamics are presented. A gas bubble (Helium) in liquids Nitrogen, Oxygen and Hydrogen in an acoustic field at ambient pressure and low temperature is investigated numerically. The results reveal that the oscillation of the bubble in liquid Hydrogen fluctuates more than in liquids Oxygen and Nitrogen. The oscillation of the bubble in liquids Oxygen and Nitrogen is approximately similar.

Keywords: Cryogenic liquids, cavitation, rocket engineering, ultrasound.

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Authors: Belin Tavakoly Sany, Aishah Salleh, Abdul Halim Sulaiman, Ghazaleh Monazami Tehrani

Abstract:

The pollution of sediments sampled from the North Port by polycyclic aromatic hydrocarbons (PAHs) was investigated. Concentrations of PAHs estimated in the port sediments ranged from 199 to 2851.2 μg/kg dw. The highest concentration was found which is closed to the Berth line, this locations affected by intensive shipping activities and Land based runoff and they were dominated by the high molecular weight PAHs (4–6- rings). Source identification showed that PAHs originated mostly from the pyrogenic source either from the combustion of fossil fuels, grass, wood and coal (majority of the samples). Ecological Risk Assessment on the port sediments presented that slightly adverse ecological effects to biological community are expected to occur at the vicinity of the stations 1 and 4. Thus PAHs are not considered as pollutants of concern in the North Port.

Keywords: PAHs, North Port, Ecological Risk, sediment

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Authors: A. Morsli, A.Tlemçani, N. Ould Cherchali, M. S. Boucherit

Abstract:

This article presents two methods for the compensation of harmonics generated by a nonlinear load. The first is the classic method P-Q. The second is the controller by modern method of artificial intelligence specifically fuzzy logic. Both methods are applied to a shunt Active Power Filter (sAPF) based on a three-phase voltage converter at five levels NPC topology. In calculating the harmonic currents of reference, we use the algorithm P-Q and pulse generation, we use the intersective PWM. For flexibility and dynamics, we use fuzzy logic. The results give us clear that the rate of Harmonic Distortion issued by fuzzy logic is better than P-Q.

Keywords: Fuzzy logic controller, P-Q method, Pulse Width Modulation (PWM), shunt Active Power Filter (sAPF), Total Harmonic Distortion (THD).

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Authors: El H. Bouziani, H. A. Reguieg Yssaad

Abstract:

The phytotoxicity of heavy metals can be expressed on roots and visible part of plants and is characterized by molecular and metabolic answers at various levels of organization of the whole plant. The present study was undertaken on two varieties of broad bean Vicia faba (Sidi Aïch and Super Aguadulce). The device was mounted on a substrate prepared by mixing sand, soil and compost, the substrate was artificially contaminated with three doses of lead nitrate [Pb(NO3)2] 0, 500 and 1000 ppm. Our objective is to follow the behavior of plant opposite the stress by evaluating the physiological parameters. The results reveal a reduction in the parameters of the productivity (chlorophyll and proteins production) with an increase in the osmoregulators (soluble sugars and proline).These results show that the production of broad bean is strongly modified by the disturbance of its internal physiology under lead exposure.

Keywords: Broad bean, lead, stress, physiological parameters, phytotoxicity.

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Authors: C. A. Gilkeson, C. J. Noakes, P. A. Sleigh, M. A. I. Khan, M. A. Camargo-Valero

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Understanding how airborne pathogens are transported through hospital wards is essential for determining the infection risk to patients and healthcare workers. This study utilizes Computational Fluid Dynamics (CFD) simulations to explore possible pathogen transport within a six-bed partitioned Nightingalestyle hospital ward. Grid independence of a ward model was addressed using the Grid Convergence Index (GCI) from solutions obtained using three fullystructured grids. Pathogens were simulated using source terms in conjunction with a scalar transport equation and a RANS turbulence model. Errors were found to be less than 4% in the calculation of air velocities but an average of 13% was seen in the scalar field. A parametric study of variations in the pathogen release point illustrated that its distribution is strongly influenced by the local velocity field and the degree of air mixing present.

Keywords: Natural, Ventilation, Pathogen, Transport

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Authors: Hadi Adibi-Asl, Alireza Doosthosseini, Amir Taghavipour

Abstract:

This paper studies the design of an adaptive control strategy to tune an active steering system for better drivability and maneuverability. In the first step, adaptive control strategy is applied to estimate the uncertain parameters on-line (e.g. cornering stiffness), then the estimated parameters are fed into the pole placement controller to generate corrective feedback gain to improve the steering system dynamic’s characteristics. The simulations are evaluated for three types of road conditions (dry, wet, and icy), and the performance of the adaptive pole placement control (APPC) are compared with pole placement control (PPC) and a passive system. The results show that the APPC strategy significantly improves the yaw rate and side slip angle of a bicycle plant model.

Keywords: Adaptive control, active steering, pole placement, vehicle dynamics.

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Authors: Sang Hoon Lee, Jong Sue Bae, Taewan Kim, Jin Mo Song, Jong Ju Kim

Abstract:

Image target detection and tracking methods based on target information such as intensity, shape model, histogram and target dynamics have been proven to be robust to target model variations and background clutters as shown by recent researches. However, no definitive answer has been given to occluded target by counter measure or limited field of view(FOV). In this paper, we will present a novel tracking method using filtering and computational geometry. This paper has two central goals: 1) to deal with vulnerable target measurements; and 2) to maintain target tracking out of FOV using non-target-originated information. The experimental results, obtained with airborne images, show a robust tracking ability with respect to the existing approaches. In exploring the questions of target tracking, this paper will be limited to consideration of airborne image.

Keywords: Tracking, Computational geometry, Homography, Filter

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Authors: Aigerim Uyzbayeva, Valeriya Tyo, Nurlan Ibrayev

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Kazakhstan is currently one of the dynamically developing states in its region. The stable growth in all sectors of the economy leads to a corresponding increase in energy consumption. Thus country consumes significant amount of energy due to the high level of industrialisation and the presence of energy-intensive manufacturing such as mining and metallurgy which in turn leads to low energy efficiency. With allowance for this the Government has set several priorities to adopt a transition of Republic of Kazakhstan to a “green economy”. This article provides an overview of Kazakhstan’s energy efficiency situation in for the period of 1991- 2014. First, the dynamics of production and consumption of conventional energy resources are given. Second, the potential of renewable energy sources is summarised followed by the description of GHG emissions trends in the country. Third, Kazakhstan’ national initiatives, policies and locally implemented projects in the field of energy efficiency are described.

Keywords: Energy efficiency in Kazakhstan, greenhouse gases, renewable energy, sustainable development.

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Authors: Vladimir I. Byshev, Victor G. Neiman, Yuri A. Romanov, Ilya V. Serykh

Abstract:

Since atmosphere pressure field is an actual envoy of climatic signal the atmospheric Highs and Lows should be attributed to the key active focal points within the ocean-atmosphere interplay system. Here we were set a task to determine how the dynamics of those centres of action relates to the climate change both on regional and global scales. For this target the near-surface temperature and atmospheric pressure differences between the Icelandic Low and the Azores High were considered. The secular term of phase states of the system under consideration was found divided into three nonintersecting subsets. Each of that was put in consequence with one of three climatic scenarios related to the periods of 1905-1935 (relatively warm phase), 1940-1970 (cold phase) and 1980-2000 (warm phase).

Keywords: Climate change, climatic scenario, fields of environmental characteristics, North Atlantic region.

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Authors: Chyn Liaw, Chun-Wei Tung, Shinn-Jang Ho, Shinn-Ying Ho

Abstract:

The γ-turns play important roles in protein folding and molecular recognition. The prediction and analysis of γ-turn types are important for both protein structure predictions and better understanding the characteristics of different γ-turn types. This study proposed a physicochemical property-based decision tree (PPDT) method to interpretably predict γ-turn types. In addition to the good prediction performance of PPDT, three simple and human interpretable IF-THEN rules are extracted from the decision tree constructed by PPDT. The identified informative physicochemical properties and concise rules provide a simple way for discriminating and understanding γ-turn types.

Keywords: Classification and regression tree (CART), γ-turn, Physicochemical properties, Protein secondary structure.

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Authors: Abdurahman H. Nour, Rosli M. Yunus, Azhary. H. Nour

Abstract:

The mechanism of microwave heating is essentially that of dielectric heating. After exposing the emulsion to the microwave Electromagnetic (EM) field, molecular rotation and ionic conduction due to the penetration of (EM) into the emulsion are responsible for the internal heating. To determine the capability of microwave technology in demulsification of crude oil emulsions, microwave demulsification method was applied in a 50-50 % and 20- 80 % water-in-oil emulsions with microwave exposure time varied from 20-180 sec. Transient temperature profiles of water-in-oil emulsions inside a cylindrical container were measured. The temperature rise at a given location was almost horizontal (linear). The average rates of temperature increase of 50-50 % and 20-80 % water-in-oil emulsions are 0.351 and 0.437 oC/sec, respectively. The rate of temperature increase of emulsions decreased at higher temperature due to decreasing dielectric loss of water. These results indicate that microwave demulsification of water-in-oil emulsions does not require chemical additions. Microwave has the potential to be used as an alternative way in the demulsification process.

Keywords: Demulsification, temperature profile, emulsion.Microwave heating, dielectric, volume rate.

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Authors: L. Mahdavian, M. Raouf

Abstract:

Three dimensional nanostructure materials have attracted the attention of many researches because the possibility to apply them for near future devices in sensors, catalysis and energy related. Tin dioxide is the most used material for gas sensing because its three-dimensional nanostructures and properties are related to the large surface exposed to gas adsorption. We propose the use of branch SnO2 nanowhiskers in interaction with ethanol. All Sn atoms are symmetric. The total energy, potential energy and Kinetic energy calculated for interaction between SnO2 and ethanol in different distances and temperatures. The calculations achieved by methods of Langevin Dynamic and Mont Carlo simulation. The total energy increased with addition ethanol molecules and temperature so interactions between them are endothermic.

Keywords: Tin dioxide, nanowhisker, Ethanol, Langevin Dynamic and Mont Carlo Simulation.

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