Search results for: multiphase reaction

Authors: Salah Aljbour, Hiroshi Yamada, Tomohiko Tagawa

Abstract:

A microchannel with two inlets and two outlets was tested as a potential reactor to carry out two-phase catalytic phase transfer reaction with phase separation at the exit of the microchannel. The catalytic phase transfer reaction between benzyl chloride and sodium sulfide was chosen as a model reaction. The effect of operational time on the conversion was studied. By utilizing a multiphase parallel flow inside the microchannel reactor with the aid of a guideline structure, the catalytic phase reaction followed by phase separation could be ensured. The organic phase could be separated completely from one exit and part of the aqueous phase was separated purely and could be reused with slightly affecting the catalytic phase transfer reaction.

Keywords: Green engineering, microchannel reactor, multiphase reaction, process intensification.

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Authors: Joon-Hyung Kim, Him-Chan Lee, Jin-Hyuk Kim, Yong-Kab Lee, Young-Seok Choi

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The crude oil in an oil well exists in various phases such as gas, seawater, and sand, as well as oil. Therefore, a phase separator is needed at the front of a single-phase pump for pressurization and transfer. On the other hand, the application of a multiphase pump can provide such advantages as simplification of the equipment structure and cost savings, because there is no need for a phase separation process. Therefore, the crude oil transfer method using a multiphase pump is being applied to recently developed oil wells. Due to this increase in demand, technical demands for the development of multiphase pumps are sharply increasing, but the progress of research into related technologies is insufficient, due to the nature of multiphase pumps that require high levels of skills. This study was conducted to verify the reliability of pump performance evaluation using numerical analysis, which is the basis of the development of a multiphase pump. For this study, a model was designed by selecting the specifications of this study. The performance of the designed model was evaluated through numerical analysis and experiment. The results of the performance evaluation were compared to verify the reliability of the result using numerical analysis.

Keywords: Multiphase pump, Numerical analysis, Experiment, Performance evaluation, Reliability verification.

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Authors: V.Sivaraman, S. Sankaran, L. Vijayaraghavan

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Machining through turning was carried out in a lathe to study the chip formation of Multiphase Ferrite (F-B-M) microalloyed steel. Taguchi orthogonal array was employed to perform the machining. Continuous and discontinuous chips were formed for different cutting parameters like speed, feed and depth of cut. Optical and scanning electron microscope was employed to identify the chip morphology.

Keywords: Multiphase microalloyed steel, chip formation, Taguchi technique, turning, cutting parameters

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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: Prungsak Uttaphut

Abstract:

An implementation of current-mode multiphase sinusoidal oscillators is presented. Using CFTA-based lossy integrators, odd and odd/even phase systems can be realized with following advantages. The condition of oscillation and frequency of oscillation can be orthogonally tuned. The high output impedances facilitate easy driving an external load without additional current buffers. The proposed MSOs provide odd or even phase signals that are equally spaced in phase and equal amplitude. The circuit requires one CFTA, one resistor and one grounded capacitor per phase without additional current amplifier. The results of PSPICE simulations using CMOS CFTA are included to verify theory.

Keywords: multiphase sinusoidal oscillator, current-mode, CFTA, lossy integrator

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Authors: David J. Robbins, R. Stewart Cant, Lynn F. Gladden

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A robust AUSM+ upwind discretisation scheme has been developed to simulate multiphase flow using consistent spatial discretisation schemes and a modified low-Mach number diffusion term. The impact of the selection of an interfacial pressure model has also been investigated. Three representative test cases have been simulated to evaluate the accuracy of the commonly-used stiffenedgas equation of state with respect to the IAPWS-IF97 equation of state for water. The algorithm demonstrates a combination of robustness and accuracy over a range of flow conditions, with the stiffened-gas equation tending to overestimate liquid temperature and density profiles.

Keywords: Multiphase flow, AUSM+ scheme, liquid EOS, low Mach number models

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Authors: Mohammad Jafarifar

Abstract:

Multiphase Induction Machine (IM) is normally controlled using rotor field oriented vector control. Under phase(s) loss, the machine currents can be optimally controlled to satisfy certain optimization criteria. In this paper we discuss the performance of double manifold sliding mode observer (DM-SMO) in Sensorless control of multiphase induction machine under unsymmetrical condition (one phase loss). This observer is developed using the IM model in the stationary reference frame. DM-SMO is constructed by adding extra feedback term to conventional single mode sliding mode observer (SM-SMO) which proposed in many literature. This leads to a fully convergent observer that also yields an accurate estimate of the speed and stator currents. It will be shown by the simulation results that the estimated speed and currents by the method are very well and error between real and estimated quantities is negligible. Also parameter sensitivity analysis shows that this method is rather robust against parameter variation.

Keywords: Multiphase induction machine, field oriented control, sliding mode, unsymmetrical condition, manifold.

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Authors: Taufik Taufik, Tadeus Gunawan, Dale Dolan, Makbul Anwari

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Multiphasing of dc-dc converters has been known to give technical and economical benefits to low voltage high power buck regulator modules. A major advantage of multiphasing dc-dc converters is the improvement of input and output performances in the buck converter. From this aspect, a potential use would be in renewable energy where power quality plays an important factor. This paper presents the design of a 2-phase 200W boost converter for battery charging application. Analysis of results from hardware measurement of the boost converter demonstrates the benefits of using multiphase. Results from the hardware prototype of the 2-phase boost converter further show the potential extension of multiphase beyond its commonly used low voltage high current domains.

Keywords: Multiphase, boost converter, power electronics.

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Authors: M. El-Alej, D. Mba, T. Yan, M. Elforgani

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This paper presents an experimental investigation using Acoustic Emission (AE) technology to monitor sand transportation in multiphase flow. The investigations were undertaken on three-phase (air-water-sand) flow in a horizontal pipe where the superficial gas velocity (VSG) had a range of between 0.2msˉ¹ to 2.0msˉ¹ and superficial liquid velocity (VSL) had a range of between 0.2msˉ¹ to 1.0msˉ¹. The experimental findings clearly show a correlation exists between AE energy levels, sand concentration, superficial gas velocity (VSG), and superficial liquid velocity (VSL).

Keywords: Acoustic Emission (AE), multiphase flow, sand monitoring, sand minimum transport condition (MTC), condition monitoring.

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Authors: Fatma Ghangir, Andrzej F. Nowakowski, Franck C. G. A. Nicolleau, Thomas M. Michelitsch

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The performance of high-resolution schemes is investigated for unsteady, inviscid and compressible multiphase flows. An Eulerian diffuse interface approach has been chosen for the simulation of multicomponent flow problems. The reduced fiveequation and seven equation models are used with HLL and HLLC approximation. The authors demonstrated the advantages and disadvantages of both seven equations and five equations models studying their performance with HLL and HLLC algorithms on simple test case. The seven equation model is based on two pressure, two velocity concept of Baer–Nunziato [10], while five equation model is based on the mixture velocity and pressure. The numerical evaluations of two variants of Riemann solvers have been conducted for the classical one-dimensional air-water shock tube and compared with analytical solution for error analysis.

Keywords: Multiphase flow, gas-liquid flow, Godunov schems, Riemann solvers, HLL scheme, HLLC scheme.

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Authors: S. Sripinun, K. Suriye, S. Kunjara Na Ayudhyab, P. Praserthdam, S. Assabumrungrat

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This work studied the isomerization of 1-butene over hydrotalcite catalyst. The experiments were conducted at various gas hourly space velocity (GHSV), reaction temperature and feed concentration. No catalyst deactivation was observed over the reaction time of 16 hours. Two major reaction products were trans-2- butene and cis-2-butene. The reaction temperature played an important role on the reaction selectivity. At high operating temperatures, the selectivity of trans-2-butene was higher than the selectivity of cis-2-butene while it was opposite at lower reaction temperature. In the range of operating condition, the maximum conversion of 1-butene was found at 74% when T = 673 K and GHSV = 4 m3/h/kg-cat with trans- and cis-2-butene selectivities of 54% and 46%, respectively. Finally, the kinetic parameters of the reaction were determined.

Keywords: Hydrotalcite, isomerization, kinetic, 1-butene.

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Authors: Liberty L Mguni, Reinout Meijboom, Kalala Jalama

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Nano-MgO was successfully deposited on titania using deposition-precipitation method. The catalyst produced was characterised using FTIR, XRD, BET and XRF and its activity was tested on the transesterification reaction of soybean oil to biodiesel. The catalyst activity improved when the reaction temperature was increasedfrom 150 and 225 OC. It was also observed that increasing the reaction time above 1h had no significant benefit on conversion. The stability fixed MgO on TiO2 was investigated using XRF and ICP-OES. It was observed that MgO loss during the reaction was between 0.5-2.3 percent and that there was no correlation between the reaction temperature and the MgO loss.

Keywords: Nano-MgO, TiO2, transesterification

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Authors: Mohammad Jafarifar

Abstract:

This paper presents a speed estimation scheme based on second-order sliding-mode Super Twisting Algorithm (STA) and Model Reference Adaptive System (MRAS) estimation theory for Sensorless control of multiphase induction machine. A stator current observer is designed based on the STA, which is utilized to take the place of the reference voltage model of the standard MRAS algorithm. The observer is insensitive to the variation of rotor resistance and magnetizing inductance when the states arrive at the sliding mode. Derivatives of rotor flux are obtained and designed as the state of MRAS, thus eliminating the integration. Compared with the first-order sliding-mode speed estimator, the proposed scheme makes full use of the auxiliary sliding-mode surface, thus alleviating the chattering behavior without increasing the complexity. Simulation results show the robustness and effectiveness of the proposed scheme.

Keywords: Multiphase induction machine, field oriented control, sliding mode, super twisting algorithm, MRAS algorithm.

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Authors: Reza Maddahian, Bijan Farhanieh, Simin Dokht Saemi

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In this research the separation efficiency of deoiling hydrocyclone is evaluated using three-dimensional simulation of multiphase flow based on Eulerian-Eulerian finite volume method. The mixture approach of Reynolds Stress Model is also employed to capture the features of turbulent multiphase swirling flow. The obtained separation efficiency of Colman's design is compared with available experimental data and showed that the separation curve of deoiling hydrocyclones can be predicted using numerical simulation.

Keywords: Deoiling hydrocyclone, Eulerian-Eulerian Model, Numerical simulation, Separation efficiency, Reynolds Stress Model

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Authors: T. Taufik, R. Prasetyo, D. Dolan, D. Garinto

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Today-s Voltage Regulator Modules (VRMs) face increasing design challenges as the number of transistors in microprocessors increases per Moore-s Law. These challenges have recently become even more demanding as microprocessors operate at sub voltage range at significantly high current. This paper presents a new multiphase topology with cell configuration for improved performance in low voltage and high current applications. A lab scale hardware prototype of the new topology was design and constructed. Laboratory tests were performed on the proposed converter and compared with a commercially available VRM. Results from the proposed topology exhibit improved performance compared to the commercially available counterpart.

Keywords: Voltage Regulator Modules, dc-dc converters, powerelectronics.

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Authors: Junko Hara, Yoshishige Kawabe, Takeshi Komai, Chihiro Inoue

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The chemical degradation of dieldrin in ferric sulfide and iron powder aqueous suspension was investigated in laboratory batch type experiments. To identify the reaction mechanism, reduced copper was used as reductant. More than 90% of dieldrin was degraded using both reaction systems after 29 days. Initial degradation rate of the pesticide using ferric sulfide was superior to that using iron powder. The reaction schemes were completely dissimilar even though the ferric ion plays an important role in both reaction systems. In the case of metallic iron powder, dieldrin undergoes partial dechlorination. This reaction proceeded by reductive hydrodechlorination with the generation of H+, which arise by oxidation of ferric iron. This reductive reaction was accelerated by reductant but mono-dechlorination intermediates were accumulated. On the other hand, oxidative degradation was observed in the reaction with ferric sulfide, and the stable chemical structure of dieldrin was decomposed into water-soluble intermediates. These reaction intermediates have no chemical structure of drin class. This dehalogenation reaction assumes to occur via the adsorbed hydroxyl radial generated on the surface of ferric sulfide.

Keywords: Dieldrin, kinetics, pesticide residue, soil remediation

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Authors: Ude N. Callistus, Amulu F. Ndidi, Onukwuli D. Okechukwu, Amulu E. Patrick

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Power law approximation was used in this study to evaluate the reaction orders of calcium oxide, CaO catalyzed transesterification of refined cottonseed oil and methanol. The kinetics study was carried out at temperatures of 45, 55 and 65 ^oC. The kinetic parameters such as reaction order 2.02 and rate constant 2.8 hr^-1g^-1cat, obtained at the temperature of 65 ^oC best fitted the kinetic model. The activation energy, Ea obtained was 127.744 KJ/mol. The results indicate that the transesterification reaction of the refined cottonseed oil using calcium oxide catalyst is approximately second order reaction.

Keywords: Refined cottonseed oil, transesterification, CaO, heterogeneous catalysts, kinetic model.

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Authors: Amit Kumar, Jaikumar V., Pradeep A. G., Shivakumar Bhavi

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Reducing sloshing is one of the major challenges in industries where transporting of liquid is involved. The present study investigates the sloshing effect for different liquid levels of 50% of the tank capacity. CFD simulation for two different baffle configurations has been carried out using a time-based multiphase Volume of fluid (VOF) scheme. Baffles were introduced to examine the sloshing effect inside the tank. Results were compared against the baseline case to assess the effectiveness of baffles; maximum liquid height over the period of the simulation was considered as the parameter for measuring the sloshing effect inside the tank. It was found that the addition of baffles reduced the sloshing effect inside the tank as compared to the baseline model.

Keywords: 3D effect of sloshing, multiphase volume of fluid, CFD, baffles

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Authors: A. Amar, N. Burtebayev, Zh. K. Kerimkulov, M. K. Baktybayev, J. T. Burtebayeva, A. K. Morzabayev, S. K. Sakhiev, N. Saduyev, S. B. Sakuta

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Elastic and inelastic scattering of α-particles by ⁹Be nuclei at different incident energies have been analyzed. Optical model parameters (OMPs) of α-particles elastic scattering by ⁹Be at different energies have been obtained. Coupled Reaction Channel (CRC) of elastic scattering, inelastic scattering and transfer reaction has been calculated using Fresco Code. The effect of involving CRC calculations on the analysis of differential cross section has been studied. The transfer reaction of (⁵He) in the reaction ⁹Be(α,⁹Be)α has been studied. The spectroscopic factor of ⁹Be≡α+⁵He has been extracted.

Keywords: Elastic scattering of α-particles, Optical model parameters, Coupled Reaction Channel, the transfer reaction of (5He), the spectroscopic factor of 9Be≡α+5He.

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Authors: A. Buasri, N. Chaiyut, K. Iamma, K. Kongcharoen, K. Cheunsakulpong

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Biopolymers have gained much attention as ecofriendly alternatives to petrochemical-based plastics because they are biodegradable and can be produced from renewable feedstocks. One class of biopolyester with many potential environmentally friendly applications is polylactic acid (PLA) and polycaprolactone (PCL). The PLA/PCL biodegradable copolyesters were synthesized by bulk ring-opening copolymerization of successively added Llactide (LL) and ε-caprolactone (CL) in the presence of toluene, using 1-hexanol as initiator and stannous octoate (Sn(Oct)2) as catalyst. Reaction temperature, reaction time and amount of catalyst were evaluated to obtain optimum reaction conditions. The results showed that the %conversion increased with increases in reaction temperature and reaction time, but after a critical amount of catalyst was reached the %conversion decreased. The yield of PLA/PCL biopolymer achieved 98.02% at the reaction temperature 160 °C, amount of catalyst 0.3 mol% and reaction time of 48 h. In addition, the thermal properties of the product were determined by differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA).

Keywords: Biopolymer, Polylactic Acid (PLA), Polycaprolactone (PCL), L-Lactide (LL), ε-Caprolactone (CL)

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Authors: Sabriye Piskin, Sibel Kasap, Muge Sari Yilmaz

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Nanocrystalline TiO₂ particles were successfully synthesized via sol-gel and sonochemical combination using titanium tetraisopropoxide as a precursor at lower temperature for a short time. The effect of the reaction parameters (hydrolysis media, acid media, and reaction temperatures) on the synthesis of TiO₂ particles were investigated in the present study. Characterizations of synthesized samples were prepared by X-ray diffraction (XRD) analysis. It was shown that the reaction parameters played a significant role in the synthesis of TiO₂ particles.

Keywords: Crystalline TiO2, sonochemical mechanism, sol-gel reaction.

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Authors: U. Chattaraj, K. Dhusiya, M. Raviteja

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Perception reaction time of drivers is an outcome of human thought process, which is vague and approximate in nature and also varies from driver to driver. So, in this study a fuzzy logic based model for prediction of the same has been presented, which seems suitable. The control factors, like, age, experience, intensity of driving of the driver, speed of the vehicle and distance of stimulus have been considered as premise variables in the model, in which the perception reaction time is the consequence variable. Results show that the model is able to explain the impacts of the control factors on perception reaction time properly.

Keywords: Driver, fuzzy logic, perception reaction time, premise variable.

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Authors: A. Ersan, A. S. Kipcak, M. Yildirim, A. M. Erayvaz, E. M. Derun, N. Tugrul, S. Piskin

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Zinc borates are used as a multi-functional flame retardant additive for its high dehydration temperature. In this study, the method of ultrasonic mixing was used in the synthesis of zinc borates. The reactants of zinc oxide (ZnO) and boric acid (H3BO3) were used at the constant reaction parameters of 90°C reaction temperature and 55 min of reaction time. Several molar ratios of ZnO:H3BO3 (1:1, 1:2, 1:3, 1:4 and 1:5) were conducted for the determination of the optimum reaction ratio. Prior to synthesis the characterization of the synthesized zinc borates were made by X-Ray Diffraction (XRD) and Fourier Transform Infrared Spectroscopy (FT-IR). From the results Zinc Oxide Borate Hydrate [Zn3B6O12.3.5H2O], were synthesized optimum at the molar ratio of 1:3, with a reaction efficiency of 95.2%.

Keywords: Zinc borates, ultrasonic mixing, XRD, FT-IR, reaction efficiency.

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Authors: S. Mat Radzi, W.A.F. Mustafa, S.S Othman, H.M. Noor

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Nowadays, butyl acetate, a pineapple flavor has been applied widely in food, beverage, cosmetic and pharmaceutical industries. In this study, Butyl acetate, a flavor ester was successfully synthesized via green synthesis of enzymatic reaction route. Commercial immobilized lipase from Rhizomucor miehei (Lipozyme RMIM) was used as biocatalyst in the esterification reaction between acetic acid and butanol. Various reaction parameters such as reaction time (RT), temperature (T) and amount of enzyme (E) were chosen to optimize the reaction synthesis in solvent-free system. The optimum condition to produce butyl acetate was at reaction time (RT), 18 hours; temperature (T), 37°C and amount of enzyme, 25 % (w/w of total substrate). Analysis of yield showed that at optimum condition, >78 % of butyl acetate was produced. The product was confirmed as butyl acetate from FTIR analysis whereby the presence of an ester group was observed at wavenumber of 1742 cm-1.

Keywords: Butyl acetate, immobilized enyzme, esterification, flavor ester, green synthesis

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Authors: Sirichai Chantara-arpornchai, Apanee Luengnaruemitchai, Samai Jai-In

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In this study, the transesterification of palm oil with methanol for biodiesel production was studied by using CaO–ZnO as a heterogeneous base catalyst prepared by incipient-wetness impregnation (IWI) and co-precipitation (CP) methods. The reaction parameters considered were molar ratio of methanol to oil, amount of catalyst, reaction temperature, and reaction time. The optimum conditions–15:1 molar ratio of methanol to oil, a catalyst amount of 6 wt%, reaction temperature of 60 °C, and reaction time of 8 h–were observed. The effects of Ca loading, calcination temperature, and catalyst preparation on the catalytic performance were studied. The fresh and spent catalysts were characterized by several techniques, including XRD, TPR, and XRF.

Keywords: CaO, ZnO, biodiesel, heterogeneous catalyst, trans-esterification.

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Authors: Mei-Hsiu Chi, Jyh-Yang Wu, Sheng-Gwo Chen

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The diffusion-reaction equations are important Partial Differential Equations in mathematical biology, material science, physics, and so on. However, finding efficient numerical methods for diffusion-reaction systems on curved surfaces is still an important and difficult problem. The purpose of this paper is to present a convergent geometric method for solving the reaction-diffusion equations on closed surfaces by an O(r)-LTL configuration method. The O(r)-LTL configuration method combining the local tangential lifting technique and configuration equations is an effective method to estimate differential quantities on curved surfaces. Since estimating the Laplace-Beltrami operator is an important task for solving the reaction-diffusion equations on surfaces, we use the local tangential lifting method and a generalized finite difference method to approximate the Laplace-Beltrami operators and we solve this reaction-diffusion system on closed surfaces. Our method is not only conceptually simple, but also easy to implement.

Keywords: Close surfaces, high-order approach, numerical solutions, reaction-diffusion systems.

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Authors: Mohammed W. Abdulrahman

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The thermochemical copper-chlorine (Cu-Cl) cycle is considered as a sustainable and efficient technology for a hydrogen production, when linked with clean-energy systems such as nuclear reactors or solar thermal plants. In the Cu-Cl cycle, water is decomposed thermally into hydrogen and oxygen through a series of intermediate reactions. This paper investigates the thermal scale up analysis of the three phase oxygen production reactor in the Cu-Cl cycle, where the reaction is endothermic and the temperature is about 530 ^oC. The paper focuses on examining the size and number of oxygen reactors required to provide enough heat input for different rates of hydrogen production. The type of the multiphase reactor used in this paper is the continuous stirred tank reactor (CSTR) that is heated by a half pipe jacket. The thermal resistance of each section in the jacketed reactor system is studied to examine its effect on the heat balance of the reactor. It is found that the dominant contribution to the system thermal resistance is from the reactor wall. In the analysis, the Cu-Cl cycle is assumed to be driven by a nuclear reactor where two types of nuclear reactors are examined as the heat source to the oxygen reactor. These types are the CANDU Super Critical Water Reactor (CANDU-SCWR) and High Temperature Gas Reactor (HTGR). It is concluded that a better heat transfer rate has to be provided for CANDU-SCWR by 3-4 times than HTGR. The effect of the reactor aspect ratio is also examined in this paper and is found that increasing the aspect ratio decreases the number of reactors and the rate of decrease in the number of reactors decreases by increasing the aspect ratio. Finally, a comparison between the results of heat balance and existing results of mass balance is performed and is found that the size of the oxygen reactor is dominated by the heat balance rather than the material balance.

Keywords: Clean energy, Cu-Cl cycle, heat transfer, sustainable energy.

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Authors: F. C. Amadi, G. C. Enyi, G. Nasr

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Relative permeabilities are practical factors that are used to correct the single phase Darcy’s law for application to multiphase flow. For effective characterisation of large-scale multiphase flow in hydrocarbon recovery, relative permeability and capillary pressures are used. These parameters are acquired via special core flooding experiments. Special core analysis (SCAL) module of reservoir simulation is applied by engineers for the evaluation of these parameters. But, core flooding experiments in shale core sample are expensive and time consuming before various flow assumptions are achieved for instance Darcy’s law. This makes it imperative for the application of coreflooding simulations in which various analysis of relative permeabilities and capillary pressures of multiphase flow can be carried out efficiently and effectively at a relative pace. This paper presents a Sendra software simulation of core flooding to achieve to relative permeabilities and capillary pressures using different correlations. The approach used in this study was three steps. The first step, the basic petrophysical parameters of Marcellus shale sample such as porosity was determined using laboratory techniques. Secondly, core flooding was simulated for particular scenario of injection using different correlations. And thirdly the best fit correlations for the estimation of relative permeability and capillary pressure was obtained. This research approach saves cost and time and very reliable in the computation of relative permeability and capillary pressures at steady or unsteady state, drainage or imbibition processes in oil and gas industry when compared to other methods.

Keywords: Special core analysis (SCAL), relative permeability, capillary pressures, drainage, imbibition.

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Authors: Irani, Mohammad, Bozorgmehry Boozarjomehry, Ramin, Pishvaie Mahmoud Reza, Ahmad Tavasoli

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Considering non-ideal behavior of fluids and its effects on hydrodynamic and mass transfer in multiphase flow is very essential. Simulations were performed that takes into account the effects of mass transfer and mixture non-ideality on hydrodynamics reported by Irani et al. In this paper, by assuming the density of phases to be constant and Raullt-s law instead of using EOS and fugacity coefficient definition, respectively for both the liquid and gas phases, the importance of non-ideality effects on mass transfer and hydrodynamic behavior was studied. The results for a system of octane/propane (T=323 K, P =445 kpa) also indicated that the assumption of constant density in simulation had major role to diverse from experimental data. Furthermore, comparison between obtained results and the previous report indicated significant differences between experimental data and simulation results with more ideal assumptions.

Keywords: Multiphase flow, VOF, mass transfer, Raoult's law, non-ideal thermodynamic, CFD.

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Authors: Paola Lecca, Lorenzo Dematte, Corrado Priami

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The present models and simulation algorithms of intracellular stochastic kinetics are usually based on the premise that diffusion is so fast that the concentrations of all the involved species are homogeneous in space. However, recents experimental measurements of intracellular diffusion constants indicate that the assumption of a homogeneous well-stirred cytosol is not necessarily valid even for small prokaryotic cells. In this work a mathematical treatment of diffusion that can be incorporated in a stochastic algorithm simulating the dynamics of a reaction-diffusion system is presented. The movement of a molecule A from a region i to a region j of the space is represented as a first order reaction Ai k- ! Aj , where the rate constant k depends on the diffusion coefficient. The diffusion coefficients are modeled as function of the local concentration of the solutes, their intrinsic viscosities, their frictional coefficients and the temperature of the system. 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 intrinsic reaction kinetics and diffusion dynamics. To demonstrate the method the simulation results of the reaction-diffusion system of chaperoneassisted protein folding in cytoplasm are shown.

Keywords: Reaction-diffusion systems, diffusion coefficient, stochastic simulation algorithm.

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