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    A Three dimensional dynamic CFD simulation for the direct dme production in a fixed bed reactor

    , Article Computer Aided Chemical Engineering ; Volume 32 , June , 2013 , Pages 247-252 ; 15707946 (ISSN) Moradi, F ; Kazemeini, M ; Vafajoo, L ; Fattahi, M ; Sharif University of Technology
    2013
    Abstract
    Dimethyl ether (DME) as a clean fuel seems to be a superior candidate for high-quality diesel fuel in near future. In this study, a comprehensive three-dimensional dynamic heterogeneous model developed to simulate the flow behavior and catalytic coupling reactions for synthesis of the DME from hydrogenation of the CO and CO2, dehydration of methanol to dimethyl ether and water gas shift reaction in a fixed bed reactor. For this purpose, a CFD simulation was articulated where the standard k-ε model with 10% turbulence tolerations implemented. Then the concentration and temperature profiles along the reactor were determined. It was revealed that under conditions considered, a single phase... 

    Synthesis of highly porous nanocrystalline alumina as a robust catalyst for dehydration of methanol to dimethyl ether

    , Article Journal of Porous Materials ; Volume 20, Issue 1 , 2013 , Pages 151-157 ; 13802224 (ISSN) Zaherian, A ; Kazemeini, M ; Aghaziarati, M ; Alamolhoda, S ; Sharif University of Technology
    2013
    Abstract
    Highly porous nanocrystalline alumina was synthesized using two different precipitation processes and precipitating agents, which were characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM) and porosimetry analyses. Different precipitating agents yielded nanocrystalline alumina catalysts with different morphologies and textural properties. Batch precipitation using sodium bicarbonate at constant pH resulted in a highly porous nanocrystalline γ-alumina catalyst, having surface area of 351.47 m2 g-1, total pore volume of 1.68 cm3 g -1 and mean pore diameter of 19.17 nm. The mean crystallite size was also determined to be 3.8 nm, based on the XRD results. Catalytic... 

    Application of ideal temperature gradient technology to optimize the chemical exchange and distillation process of boron isotopes separation by (CH3)2O-BF3 complex

    , Article Chemical Engineering and Processing: Process Intensification ; Volume 76 , February , 2014 , Pages 26-32 ; ISSN: 02552701 Abdollahi, M ; Ahmadi, S. J ; Sharif University of Technology
    Abstract
    To exert the optimum effect, the chemical exchange process to boron isotope separation was investigated. In this enrichment method the distillation of dimethyl ether-boron trifluoride complex, which was one of the most efficient industrial methods for purification of isotope boron-10, was optimized. In chemical exchange process of boron isotopes separation two chemical reactions occur. The first one is the decomposition reaction that is an endothermic reaction. The second one is the exchange reaction that is a pyrogenic reaction. With increasing temperature, the decomposition reaction is speeded while the exchange reaction is slowed down. Affecting on both decomposition and exchange... 

    A three dimensional CFD simulation and optimization of direct DME synthesis in a fixed bed reactor

    , Article Petroleum Science ; Vol. 11, issue. 2 , 2014 , pp. 323-330 ; ISSN: 1672-5107 Moradi, F ; Kazemeini, M ; Fattahi, M ; Sharif University of Technology
    Abstract
    In this study, a comprehensive three-dimensional dynamic model was developed for simulating the flow behavior and catalytic coupling reactions for direct synthesis of dimethyl ether (DME) from syngas including CO2 in a fixed bed reactor at commercial scale under both adiabatic and isothermal conditions. For this purpose, a computational fluid dynamic (CFD) simulation was carried out through which the standard k-e{open} model with 10% turbulence tolerations was implemented. At first, an adiabatic fixed bed reactor was simulated and the obtained results were compared with those of an equivalent commercial slurry reactor. Then the concentration and temperature profiles along the reactor were... 

    Direct production of dimethyl ether from synthesis gas utilizing a new bifunctional catalyst

    , Article 19th International Congress of Chemical and Process Engineering, CHISA 2010 and 7th European Congress of Chemical Engineering, ECCE-7, 28 August 2010 through 1 September 2010, Prague ; 2010 Khandan, N ; Kazemeini, M ; Aghaziarati, M ; Sharif University of Technology
    2010
    Abstract
    A series of bifunctional catalysts Cu-ZnO-ZrO 2/Al-modified H-Mordenite were prepared by co precipitating sedimentation method and were characterized. Active sites were dispersed well. The synthesis of dimethyl ether (DME) via direct CO hydrogenation was evaluated in a three-phase slurry reactor. Cu-ZnO-ZrO 2/Al-modified H-Mordenite was a suitable catalyst for the production of dimethyl ether from synthesis gas. The appropriate ratio of methanol synthesis catalyst (Cu-ZnO-ZrO 2) to methanol dehydration catalyst (Al-modified H Mordenite) was 2:1. In this condition, CO conversion and DME selectivity were ≈ 68% and 82%, respectively. This is an abstract of a paper presented at the 7th European... 

    Proposition of Control Structure for DME Synthesis Plant

    , M.Sc. Thesis Sharif University of Technology Jahan Afrooz, Amir Mahdi (Author) ; Pishvaie, Mahmoud Reza (Supervisor)
    Abstract
    The development and use of design methods for control structures has grown significantly in recent decades. In this study, a systematic plantwide control procedure proposed by Skogestad, has been used. The main idea of suggested method is based on the self-optimizing variables. One of the advantages of this method of designing a control structure is considering the economic optimization of the process in most stages of its implementation. The indirect and direct dimethyl ether synthesis from natural gas feed have been investigated in this study. In this research, indirect and direct dimethyl ether synthesis processes are simulated with Aspen Plus V10 and degree of freedom analysis is done.... 

    Separation of Boron Isotopes by Distillation of (CH3)2O-BF3 Complex

    , M.Sc. Thesis Sharif University of Technology abdollahi, Mojtaba (Author) ; Outokesh, Mohammad (Supervisor) ; Ahmadi, Javad (Supervisor)
    Abstract
    Natural boron includes two stable isotopes 10B and 11B with 19.3 and 80.7 weight percent respectivley.10B isotope has a high thermal neutron absorption cross section. So isotope 10B material is suitable for making atomic reactor control rods. Other and even more important applications of 10B are in disclosing neutrons in order to measure neutron reactors fluxes and also are in nuclear physics laboratories and medical radiation. This isotope also is used in the pharmaceutical and the military industries. There are several methods for separating boron isotopes. Among the distillation methods, thermal diffusion of BF3, distillation of BF3, distillation of methyl borate, boric acid distillation... 

    Synthesis and Evaluation of a Nano-Catalyst for Dehydration of Methanol to Dimethyl Ether

    , M.Sc. Thesis Sharif University of Technology Zaherian, Amir Ali (Author) ; Kazemeini, Mohammad (Supervisor) ; Aghaziarati, Mahmoud (Supervisor)
    Abstract
    Dimethyl ether (DME) as a clean fuel is a suitable alternative for diesel fuel. It has a high cetane number and does not contain any sulfur or metal compounds. Furthermore, DME does not form any soot and has a potential to reduce NOx emissions. In addition, it is not corrosive to any metal and not harmful to the human body. Two approaches are currently used for the production of DME from synthesis gas. The first is an indirect two-step process involving methanol synthesis followed by catalytic dehydration of methanol to DME over solid-acid catalysts, while the second method enables direct synthesis of DME using a bifunctional catalyst. At present, indirect synthesis of DME is a more... 

    Modeling, simulation and control of a tubular fixed-bed dimethyl ether reactor

    , Article Chemical and Biochemical Engineering Quarterly ; Volume 24, Issue 4 , 2010 , Pages 415-423 ; 03529568 (ISSN) Yasari, E ; Shahrokhi, M ; Abedini, H ; Sharif University of Technology
    2010
    Abstract
    This paper considers the modeling and control of a tubular fixed bed reactor with recycle stream for dimethyl ether (DME) production. For simulation purposes, a pseudo homogeneous model has been developed. By reactor simulation under steady state condition, effects of parameters such as feed rate, pressure and shell temperature are investigated. Using the steady state model, an optimizer that maximizes the reactor yield has been developed. For cooling the reactor, a steam drum that uses heat of reactions to produce steam was coupled with the reactor. Through dynamic simulation, system open loop response was obtained and two control loops were considered for controlling the reactor... 

    Optimization and Control of DME Plant Based on Fuzzy Optimization

    , M.Sc. Thesis Sharif University of Technology Ekram, Fatemeh (Author) ; Bozorgmehry Boozarjomehry, Ramin (Supervisor)
    Abstract
    In recent years, due to the energy price increase, great efforts were made to optimize the operating conditions of various chemical processes in order to reduce the operating cost and obtain the maximum possible profit. Decision makers should usually deal with different kinds of uncertainty in process optimization. In this situation, fuzzy optimization is an ideal method, since it represents and handles the underlying uncertainty of the optimization problems. In this paper, the optimization problem for production process of dimethyl ether (DME) as an alternative fuel to diesel is considered. Both crisp and fuzzy approaches are applied to formulate the optimization problem while sensitivity... 

    Direct Synthesis of Dimethyl Ether from Carbon Dioxide

    , M.Sc. Thesis Sharif University of Technology Taher Aslani, Mohammad Reza (Author) ; Kazemeini, Mohammad (Supervisor) ; Aghaziarati, Mahmoud (Co-Advisor) ; Kazemian, Masoud (Co-Advisor)
    Abstract
    In this research, direct synthesis of dimethyl ether (DME) from CO2 hydrogenation in three phase slurry reactor was investigated. Bifunctional catalysts composed of Cu- ZnO-Al2O3-ZrO2 as hydrogenation component and zeolite Na-Mordenite as dehydration component, with different Al2O3 and ZrO2 contents were synthesized by coprecipitating sedimentation and influences of Al2O3 and ZrO2 on CO2 conversion and DME selectivity were evaluated. Results show, both Al2O3 and ZrO2 enhanced conversion, but Al2O3 markedly increase selectivity of DME. However, when the total contents of Al2O3 and ZrO2 was increased up to 16 wt% , CO2 conversion and DME selectivity remarkably decreased. BET and XRD analyzes... 

    Kinetic Modeling of Dimehtyl Ether Production from Synthesis Gas

    , M.Sc. Thesis Sharif University of Technology Kargar Sharif Abad, Monireh (Author) ; Kazemeini, Mohammad (Supervisor) ; Aghaziarati, Mahmoud (Supervisor)
    Abstract
    In view of environmental problems and the limited energy supply, synthesis of new liquid fuel from coal or natural gas is becoming a hot research in recent years. Dimethyl ether (DME) is one of the most promising alternates of such synthetic fuels. In this project the kinetics of direct DME synthesis from syngas (H2 and CO) over the new bifunctional catalyst has been investigated in slurry reactor system. A new mechanism and rate law expression were established. The kinetic model has been fitted the experimental data, which has been obtained by other researchers. The new bifunctional catalyst was composed of Cu/ZnO/ZrO2 and Al-modified H-Mordenite zeolite. The calculated apparent... 

    Kinetics Study and Determining an Optimum Reactor Condition for Dimethyl-ether Synthesis by Dehydration of Methanol over Nano-Crystalline γ-Al2O3

    , M.Sc. Thesis Sharif University of Technology Alamolhoda, Sarah (Author) ; Kazemeini , Mohammad (Supervisor) ; Khorashe, Farhad (Supervisor) ; Khandan, Nahid (Supervisor)
    Abstract
    Dimethyl Ether (DME) is a pure and economic fuel which can be used as a suitable alternative for diesel fuels. Two processes are traditionally used for DME synthesis: producing methanol from synthesis gas and then dehydrating it to DME (direct process), and converting methanol into DME in a catalytic dehydration reactor over a solid-acid catalyst (indirect process), in which the indirect process seems to have economical advantage. In this research, the γ-Al2O3 catalyst was synthesized through precipitation process and then characterized by powder X-ray diffraction (XRD) and porosimetry analysis. Afterwards this catalyst was utilized in methanol dehydration reaction in a slurry reactor. Next,... 

    Reaction kinetics determination and neural networks modeling of methanol dehydration over nano γ-Al 2O 3 catalyst

    , Article Journal of Industrial and Engineering Chemistry ; Volume 18, Issue 6 , 2012 , Pages 2059-2068 ; 1226086X (ISSN) Alamolhoda, S ; Kazemeini, M ; Zaherian, A ; Zakerinasab, M. R ; Sharif University of Technology
    2012
    Abstract
    In this research nano γ-Al 2O 3 catalyst was synthesized through precipitation process then characterized and utilized for methanol dehydration reaction in a slurry batch reactor in route to the indirect synthesis of the dimethyl ether (DME). In this venue, effects of the key parameters on methanol conversion and catalyst stability were investigated. Moreover, the internal and external mass transfer resistances were eliminated; hence the intrinsic kinetics controlled the reaction. Therefore, the optimum conditions for temperature, methanol concentration, catalyst mass and stirrer speed were determined to be 300°C, 1.18mol/l, 1.5g and 1100rpm, respectively. Next, different reaction rate... 

    CFD Modeling of Fixed Bed Reactor for Direct Synthesis of DME from Syngas and Carbon Dioxide

    , M.Sc. Thesis Sharif University of Technology Moradi, Fazel (Author) ; Kazemeini, Mohammad (Supervisor)
    Abstract
    Today, the global environmental restrictions as well as; energy problems have directed researchers toward developing ideas of producing a clean liquid fuel from coal or natural gas as a major research topic. In this regard, a special attention is paid to the dimethyl ether (DME) as a clean material containing 34.8% oxygen possessing enough positive potential to replace the diesel and LPG fuels. One of the most economic routes for producing the DME is known to be the direct conversion of the synthesis gases and carbon dioxide first to the methanol and then its dehydration to the DME. Moreover, the DME is not limited to a particular country or resource area since small reservoirs of natural... 

    Mathematical Modeling of Slurry Reactor for Direct Synthesis of Dimethyl ether from Syngas and Carbon Dioxide

    , M.Sc. Thesis Sharif University of Technology Papari Moghaddam Borazjani, Sadegh (Author) ; Kazemeini, Mohammad (Supervisor)
    Abstract
    In this study, both axial dispersion and perfect mix mathematical model to simulate a three-phase slurry bubble column reactor for direct synthesis of dimethyl ether (DME) from syngas and CO2 is developed. This large-scale reactor is modeled by using mass and energy balances, catalyst sedimentation and single-bubble as well as; two-bubbles’ class flow hydrodynamics. A comparison between the two hydrodynamic models with pilot plant experimental data from the literature showed that heterogeneous two-bubbles flow model is in better agreement with the experimental data than homogeneous single-bubbles gas flow model. Also, by investigating the heterogeneous gas flow and axial dispersion model for... 

    Modelling-based optimisation of the direct synthesis of dimethyl ether from syngas in a commercial slurry reactor

    , Article Chinese Journal of Chemical Engineering ; Volume 21, Issue 6 , June , 2013 , Pages 611-621 ; 10049541 (ISSN) Papari, S ; Kazemeini, M ; Fattahi, M ; Sharif University of Technology
    2013
    Abstract
    In the present study, we developed a multi-component one-dimensional mathematical model for simulation and optimisation of a commercial catalytic slurry reactor for the direct synthesis of dimethyl ether (DME) from syngas and CO2, operating in a churn-turbulent regime. DME productivity and CO conversion were optimised by tuning operating conditions, such as superficial gas velocity, catalyst concentration, catalyst mass over molar gas flow rate (W/F), syngas composition, pressure and temperature. Reactor modelling was accomplished utilising mass balance, global kinetic models and heterogeneous hydrodynamics. In the heterogeneous flow regime, gas was distributed into two bubble phases: small... 

    Application of artificial neural networks for estimation of the reaction rate in methanol dehydration

    , Article Industrial and Engineering Chemistry Research ; Volume 49, Issue 10 , April , 2010 , Pages 4620-4626 ; 08885885 (ISSN) Valeh E Sheyda, P ; Yaripour, F ; Moradi, G ; Saber, M ; Sharif University of Technology
    2010
    Abstract
    In this paper, the artificial neural network has been applied to estimate the reaction rate of methanol dehydration in dimethyl ether synthesis. The multilayer feed forward neural network with three inputs and one output has been trained with different algorithms and different numbers of neurons in the hidden layer. Two thirds of all training data are used for training of the network and the rest are used for testing of the generalization of the network. The accuracy of the proposed model was found to agree well with the experimental results over a wide range of experimental conditions. The results clearly depict that the neural network is a powerful tool to estimate the reaction rate and... 

    Determining an optimum catalyst for liquid-phase dehydration of methanol to dimethyl ether

    , Article Applied Catalysis A: General ; Volume 349, Issue 1-2 , 2008 , Pages 6-12 ; 0926860X (ISSN) Khandan, N ; Kazemeini, M ; Aghaziarati, M ; Sharif University of Technology
    2008
    Abstract
    The liquid-phase dehydration of methanol to dimethyl ether was investigated over various materials including synthetic zeolites, namely, ZSM-5, Y, Mordenite, Ferrierite and Beta as well as silica and alumina. The key characters investigated were the Si/Al ratio and cation exchange. The results showed that the Mordenite zeolite exchanged with H+ exhibited the highest activity in dehydration of methanol. After finding the most active catalyst, the Mordenite zeolite was modified with Cu, Zn, Ni, Al, Zr, Mg and Na via wet-impregnation method to further improve its selectivity, and characterized by AAS, XRD, NH3-TPD, NH3-FT-IR and BET surface area techniques. It was found that these materials... 

    Synthesis of dimethyl ether over modified H-mordenite zeolites and bifunctional catalysts composed of Cu/ZnO/ZrO2 and modified H-mordenite zeolite in slurry phase

    , Article Catalysis Letters ; Volume 129, Issue 1-2 , 2009 , Pages 111-118 ; 1011372X (ISSN) Khandan, N ; Kazemeini, M ; Aghaziarati, M ; Sharif University of Technology
    2009
    Abstract
    Synthesis of dimethyl ether (DME) via methanol dehydration were investigated over various catalysts, and via direct CO hydrogenation over hybrid catalysts composed of Al-modified H-Mordenite zeolite and Cu/ZnO/ZrO 2. H-Mordenite zeolite exhibited the highest activity in dehydration of methanol. However, its selectivity toward dimethyl ether was rather low. For this reason, the H-Mordenite was modified. Modification of zeolites was performed by wet impregnation method and considered catalysts were characterized by AAS, XRD and NH3-TPD analyses. Results of catalytic tests indicated that H-Mordenite modified with 8 wt% aluminum oxide was the best catalyst for synthesis of dimethyl ether from...