Reaction Engineering, Kinetics and Catalysts,
H. kalantari; M. Nosrati; S. A Shojaosadati; M. Shavandi
Volume 14, Issue 1 , March 2017, , Pages 74-87
Abstract
In the present study, the effects of four factors including initial sulfide concentration (mg l-1 ), agitation speed (rpm), amount of inoculums (%) and sodium concentration (mg l-1) on removal efficiency (%R) and yield of sulfate production by Thioalkalivibrio versutus from synthetic spent caustic were ...
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In the present study, the effects of four factors including initial sulfide concentration (mg l-1 ), agitation speed (rpm), amount of inoculums (%) and sodium concentration (mg l-1) on removal efficiency (%R) and yield of sulfate production by Thioalkalivibrio versutus from synthetic spent caustic were investigated. For this purpose, experiments are designed by design of experiments (DOE) and Response Surface Methodology uses results of experiments to determine relationship between experimental factors and measured responses. The coefficient of determination (R2) was calculated as 0.9012 and 0.9544 for removal efficiency (%R) and yield of sulfate production (Y_(SO4/S)), respectively. The best local maximum was found to be at initial sulfide concentration 1500 mg/l, agitation speed 180 rpm, inoculum 8%, Na concentration 1.38 M , removal efficiency 96.99%, yield of sulfate production 2.65 and desirability of 0.909. According to these observations and results Thioalkalivibrio versutus is a suitable bacterium for oxidation of sulfide in spent caustic wastewater.
Modeling and Simulation
Malihe Heravi; Mahdi Bayat; Mohammad Reza Rahimpour
Volume 13, Issue 4 , November 2016, , Pages 71-95
Abstract
The main focus of this study is improvement of the steam-methane reforming (SMR) process by in-situ CO2 removal to produce high hydrogen content synthesis gas. Sorption-enhanced (SE) concept is applied to improve process performance. In the proposed structure, the solid phase CO2 adsorbents and pre-reformed ...
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The main focus of this study is improvement of the steam-methane reforming (SMR) process by in-situ CO2 removal to produce high hydrogen content synthesis gas. Sorption-enhanced (SE) concept is applied to improve process performance. In the proposed structure, the solid phase CO2 adsorbents and pre-reformed gas stream are introduced to a gas-flowing solids-fixed bed reactor (GFSFBR). One dimensional mathematical model is developed to evaluate the effect of adsorbents on the efficiency of SMR at steady-state condition. To prove the accuracy of the considered model, simulation results are compared against available industrial plant data. Modeling results represent that application of SE method in SMR enhances syngas production and reduces CO2 content. The reported data indicate that by overcoming thermodynamic limitations and controlling coke formation, CH4 conversion and H2 yield improve about 23% and 29%, respectively. For more investigation, sensitivity analyses of some related parameters of the pre-reformed gas are performed to predict optimum conditions. Finally, the proposed GFSFBR for the SMR process leads to higher hydrogen production and H2/CO ratio. As the last part, non-dominated sorting genetic algorithm-II is applied to perform multi-objective optimization of the SE-SMR.
Reaction Engineering, Kinetics and Catalysts,
Mahdi Bayat; M.R. Rahimpour
Volume 13, Issue 3 , July 2016, , Pages 3-18
Abstract
Nowadays, hydrogen and methanol are attractive prospects because of lower emission compared to the other energy sources and their special application in fuel cell technology, which are now widely regarded as key energy solution for the 21st century. These two chemicals also can be utilized in transportation, ...
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Nowadays, hydrogen and methanol are attractive prospects because of lower emission compared to the other energy sources and their special application in fuel cell technology, which are now widely regarded as key energy solution for the 21st century. These two chemicals also can be utilized in transportation, distributed heat and power generation and energy storage systems. In this study, a novel double fluidized-bed two-membrane reactor (DFTMR) is proposed to produce ultrapure hydrogen and enhance methanol synthesis as environmentally friendly fuels, simultaneously. The fluidization concept is used in both sides to overcome drawbacks such as internal mass transfer limitations, pressure drop, radial gradients of concentration and temperature in thermally coupled membrane reactors. The DFTMR system is modeled based on the two-phase theory of fluidization and then its performance is compared with those of thermally coupled membrane reactor (TCMR) and conventional methanol reactor (CR) under the same operating conditions. The simulation results show 24.69% enhancement in hydrogen production in comparison with TCMR. Furthermore, 14.39% and 15.78% improvement in the methanol yield can be achieved compared with TCMR and CR, respectively.
Reaction Engineering, Kinetics and Catalysts,
Esmaeil Fatehifar; Asadollah Karimi; Reza Alizadeh; abbas jafarizad; mahmood jamili
Volume 13, Issue 3 , July 2016, , Pages 43-53
Abstract
In this paper, xCuO/CeO2–γAl2O3 nano-catalysts were successfully synthesized by precipitation from an aqueous solution which modified via ultrasonic waves. For characterization of xCuO/CeO2–γAl2O3 samples N2 adsorption results showed that the BET surface area of the CuO/CeO2–γAl2O3, ...
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In this paper, xCuO/CeO2–γAl2O3 nano-catalysts were successfully synthesized by precipitation from an aqueous solution which modified via ultrasonic waves. For characterization of xCuO/CeO2–γAl2O3 samples N2 adsorption results showed that the BET surface area of the CuO/CeO2–γAl2O3, X-ray diffraction (XRD), scanning electron microscope (SEM) and energy dispersive X-rays (EDX dot-mapping) were used. The BET, XRD and SEM results indicate that CuO/CeO2-γAl2O3 particles are nano-structured catalysts. These catalysts (xCuO/CeO2–γAl2O3) have high specific surface area and finer particle that confirm SEM pictures. xCuO/CeO2-γAl2O3 catalysts compared to other previous synthesised catalysts for selective CO oxidation. The activity and selectivity of these catalysts obtained in the presence of rich hydrogen stream, with space velocity of 30,000 h−1 in the absence of CO2 and H2O. Results show that CuO/CeO2–γAl2O3 catalyst represents high CO conversion in low temperature (less than 120 ◦C), and selectivity of more than 63% at 100 ◦C. Also, results show that decreasing of CeO2 amount decreases selectivity of CO oxidation.
Reaction Engineering, Kinetics and Catalysts,
Pachaiyappan Abimannan; Venugopal Rajendran
Volume 13, Issue 3 , July 2016, , Pages 54-62
Abstract
In this paper, we report the reaction of isoamyl alcohol and 1-chloro-4-nitrobenzene was carried out in a batch reactor under aqueous-organic biphasic conditions using the techniques like phase transfer catalysis and ultrasound irradiation. Tetrabutylammonium bromide (TBAB) was employed as the phase ...
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In this paper, we report the reaction of isoamyl alcohol and 1-chloro-4-nitrobenzene was carried out in a batch reactor under aqueous-organic biphasic conditions using the techniques like phase transfer catalysis and ultrasound irradiation. Tetrabutylammonium bromide (TBAB) was employed as the phase transfer catalyst. The reaction is greatly enhanced by adding a small quantity of phase-transfer catalyst under ultrasound (28 kHz, 300W). Detailed kinetics of the etherification was investigated. The rate constants were determined by varying the concentration of the catalyst, stirring speed, the concentration of alcohols, temperature, different solvents, concentration of sodium hydroxide, different inorganic salts and different phase transfer catalysts. From the detailed kinetic study, the optimum reaction conditions to produce higher yield of 1-(isopentyloxy)-4-nitrobenzene was obtained. The experimental data were well described by the pseudo-first-order equation. The individual experiment was carried without ultrasound; the obtained kapp value is 0.0094 min-1. The combination of ultrasound and stirring; the kapp value is 0.0178 min-1. From the observed results, the kapp value for ultrasonically promoted reaction is almost two fold higher than the normal reaction.
Reaction Engineering, Kinetics and Catalysts,
Z. Shojaei; E. Iravani; M.A. Moosavian; M. Torab-Mostaedi
Volume 13, Issue 2 , April 2016, , Pages 3-21
Abstract
Adsorption of Ce(III) from aqueous solution by amino phosphate modified nano TiO2 was investigated. Effects of pH of solution, adsorbent dose, contact time, initial metal concentration and temperature were examined. Experimental data were fitted well by the pseudo second order model. Adsorption was well ...
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Adsorption of Ce(III) from aqueous solution by amino phosphate modified nano TiO2 was investigated. Effects of pH of solution, adsorbent dose, contact time, initial metal concentration and temperature were examined. Experimental data were fitted well by the pseudo second order model. Adsorption was well described by Freundlich isotherm model with a maximum adsorption capacity of 25 mg g-1. According to the obtained thermodynamic parameters, the adsorption was a spontaneous and endothermic process. Effect of interfering cations was studied. The presence of Ca and Mg ions up to 150 mg L-1 showed no considerable effect on the adsorption of Ce(III). Regeneration of adsorbent was performed using HNO3 with efficiency greater than 84%. The quantities of distribution coefficient (Kd), the affinity of metal for retention onto solid phase, was the higher for Ce(III) than La(III). Due to the high sorption capacity, being plentiful and low cost it is concluded that the use of amino phosphate mofified nano titania as an appropriate adsorbent is promising for the removal of lanthanides especially Ce(III) from contaminated sites.
Reaction Engineering, Kinetics and Catalysts,
M. Basiri; M. Rahimi; H. Babaei Mohammadi
Volume 13, Issue 2 , April 2016, , Pages 22-32
Abstract
The ultrasound-assisted (UA) soybean oil methanolysis using KOH as a catalyst was studied at different reaction conditions in a microreactor. Box–Behnken experimental design, with three variables, was performed and the effects of three reaction variables i.e. reaction temperature, catalyst concentration ...
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The ultrasound-assisted (UA) soybean oil methanolysis using KOH as a catalyst was studied at different reaction conditions in a microreactor. Box–Behnken experimental design, with three variables, was performed and the effects of three reaction variables i.e. reaction temperature, catalyst concentration and the methanol-to-oil molar ratio on fatty acid methyl ester (FAME) yield were evaluated by method of analysis of variance (ANOVA) and multiple regression. A quadratic polynomial model was obtained to predict the methyl ester yield. A yield of 97.1% for methyl ester was obtained at the deduced optimal conditions: reaction temperature of 47 °C, KOH catalyst concentration of 1.29% (w/w) and methanol-to-oil molar ratio of 6:1. Validation experiments confirmed the validity of the predicted model. At the optimal operation condition for the ultrasonic process, a higher yield of methyl esters was obtained in comparison with that of the non-ultrasonic layout. The results show that UA transesterification in microreactor minimizes the reaction time and temperature, alcohol-to-oil molar ratio as well as energy consumption.
Reaction Engineering, Kinetics and Catalysts,
B. Mokhtarani; S. Babaei; H.R. Mortaheb; K. Tabar Heidar
Volume 13, Issue 2 , April 2016, , Pages 71-79
Abstract
Polycyclic aromatic hydrocarbons (PAH) are toxic, mutagenic, and carcinogenic compounds. Removal of these compounds has a great importance for environment. Removal of PAHs from soil is difficult as these chemicals are persistent in the soil. In this research, bioremediation of soil contaminated by (PAH) ...
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Polycyclic aromatic hydrocarbons (PAH) are toxic, mutagenic, and carcinogenic compounds. Removal of these compounds has a great importance for environment. Removal of PAHs from soil is difficult as these chemicals are persistent in the soil. In this research, bioremediation of soil contaminated by (PAH) using Bacillus subtilis DSMZ 3256 (B.subtilis) strains was studied. The effect of electrokinetic on biodegradation of PAH was investigated. Fluorene and phenanthrene were selected as PAH and were mixed with soil. The bioremediation experiment was initially performed at 30oC and different humidities. The results represented 12.2 and 11.9% removal of fluorene and phenanthrene at 40% relative humidity after 7 days, respectively. The effects of electrokinetic on this process were studied at different current densities. It was found that the electrokinetic can reduce the biodesulfurization time. According to the results, the removal percents of fluorene and phenanthrene after 4 days under current density 1.82 mA/cm2 were 39.4 and 37.2, respectively.
Reaction Engineering, Kinetics and Catalysts,
V. Rajendran; P. Abimannan
Volume 13, Issue 2 , April 2016, , Pages 80-87
Abstract
Ultrasound assisted phase-transfer catalyzed preparation of ethyl 2-(4-nitrophenoxy)acetate from the corresponding p-nitrophenol and ethyl 2-bromoacetate using the mild solid base, anhydrous potassium carbonate, under very mild conditions is reported. The solid-liquid reactions were performed in a batch ...
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Ultrasound assisted phase-transfer catalyzed preparation of ethyl 2-(4-nitrophenoxy)acetate from the corresponding p-nitrophenol and ethyl 2-bromoacetate using the mild solid base, anhydrous potassium carbonate, under very mild conditions is reported. The solid-liquid reactions were performed in a batch reactor equipped with reflux condenser, and ultrasonic irradiations were introduced using an ultrasonic bath operating at a frequency of 28 kHz with a power rating of 300 W. The reaction was carried out at 50°C under pseudo-first order conditions and was monitored by gas chromatography (GC). From the experimental data, a rate expression had been developed to explain the kinetic behavior of the reaction from which the apparent rate constant (kapp) of the organic phase was attained. The effects of different operating parameters such as stirring rate, temperature, catalyst loading and kind of Phase-transfer catalysts, base variation and quantity of water, kind of solvents have been investigated to maximize the yield of synthesis of ethyl 2-(4-nitrophenoxy)acetate.
Petroleum and Reservoir Engineering
M. Nikpour; M. Pazouki
Volume 13, Issue 1 , January 2016, , Pages 32-46
Abstract
In this essay, lipase from Burkholderia cepacia was immobilized into 3-glycidoxypropyltrimethoxysilane (GPTMS) and tetramethoxysilane (TMOS) derived sol-gels. GPTMS:TMOS molar ratio of 1:3 was found to yield the best result. The morphological characteristics were investigated based on SEM and BET analysis. ...
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In this essay, lipase from Burkholderia cepacia was immobilized into 3-glycidoxypropyltrimethoxysilane (GPTMS) and tetramethoxysilane (TMOS) derived sol-gels. GPTMS:TMOS molar ratio of 1:3 was found to yield the best result. The morphological characteristics were investigated based on SEM and BET analysis. Sample mean pore diameter was 39.1 nm, it had a specific surface area of 60 m2/g prior to enzyme addition which decreased to 7.49 m2/g after immobilization. The enzyme activity was assessed through transesterification of waste cooking oil in the presence of ethanol with optimal conditions of: 40 ᵒC, 15 % immobilized lipase, 9:1 alcohol to oil molar ratio in 24 h of reaction which resulted to 91.70 % biodiesel production. In six-hour reaction time, 86.87 % biodiesel was obtained which is much shorter than conventional enzymatic transesterification which is 72 hours. Ethyl esters were characterized by determining their viscosity, density, and flash point based on ASTM D 6751-07b standards.
Reaction Engineering, Kinetics and Catalysts,
Sh. Masoumi; J. Towfighi
Volume 12, Issue 4 , October 2015, , Pages 4-14
Abstract
"> The effects of templating on the catalytic performance of SAPO-34 catalyst have been investigated in conversion of methanol to olefins. SAPO-34 catalysts were synthesized using a different combination of morphine, tetraethyl ammonium hydroxide (TEAOH) and triethylamine (TEA) as structure-directing ...
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"> The effects of templating on the catalytic performance of SAPO-34 catalyst have been investigated in conversion of methanol to olefins. SAPO-34 catalysts were synthesized using a different combination of morphine, tetraethyl ammonium hydroxide (TEAOH) and triethylamine (TEA) as structure-directing agents during synthesis of gel with nominal composition as 1Al2O3:1P2O5:0.4SiO2:2yTEAOH:2xTEA:2(1-(x+y))morpholine:70H2O. The different SAPO-34 samples were characterized by XRD, SEM, FTIR, BET, EDX and TPD techniques. Increasing TEAOH in synthesis gel led to decreasing mean crystal size. The catalytic performance of the synthesized catalysts was tested in MTO reaction at 410C and a feed WHSV of 6.5 1/h. The catalyst synthesized by combination of tri-templates exhibited highest light olefins yield in 100% methanol conversion. The optimum values (X=0.17, Y=0.34) were obtained by central composite design and response surface contour plots.
Reaction Engineering, Kinetics and Catalysts,
Mohammad Pazouki; Ali Zakeri; Manoucher Vossoughi
Volume 12, Issue 4 , October 2015, , Pages 84-92
Abstract
In this research, unstructured kinetic modeling for cell growth evaluation by X.campestris, xanthan production and sugar cane molasses consumption in a batch culture were investigated. Logistic model for biomass growth, Luedeking-Piret model for xanthan biopolymer production and modified Luedeking-Piret ...
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In this research, unstructured kinetic modeling for cell growth evaluation by X.campestris, xanthan production and sugar cane molasses consumption in a batch culture were investigated. Logistic model for biomass growth, Luedeking-Piret model for xanthan biopolymer production and modified Luedeking-Piret model for sugar cane molasses consumption provides an accurate prediction of the fermentation kinetics parameters with high coefficient of determination R2 values.Luedeking-Piret model for xanthan biopolymer production in three different concentration of sugar cane molasses (30, 60 and 90 g/l) as the sole carbon source substrate were studied. A good agreement between experimental and predicted values indicated that the unstructured models were able to describe this fermentation process successfully. The values of specific growth rate μ_max of logestic model for sugar cane molasses (30, 60 and 90 g/l) were 0.029, 0.031 and 0.032 h-1 respectively. The values of α and β is 5.280, 6.594, 8.518 and 0.072, 0.066, 0.086 respectively which shows that the xanthan production is growth associated since the value of the growth associated parameter α is much more than the value of nongrowth associated parameter β in Luedeking Piret model. Moreover, the values of γ and 𝜂 in modified Luedeking-Piret model were obtained.
Reaction Engineering, Kinetics and Catalysts,
N. Hoshyar; A. Irankhah Irankhah; M. Jafari
Volume 12, Issue 3 , July 2015, , Pages 3-14
Abstract
e"> The CeMnO2 supports were prepared via co-precipitation method by ammonia as precipitating agent. The CuO/CeO2 and CuO/Ce(1-x)MnxO2 (x=0.1, 0.3 and 0.5) catalysts were synthesized by wet impregnation method. The physicochemical properties of the prepared CuO/Ce(1-x)MnxO2 catalysts were characterized ...
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e"> The CeMnO2 supports were prepared via co-precipitation method by ammonia as precipitating agent. The CuO/CeO2 and CuO/Ce(1-x)MnxO2 (x=0.1, 0.3 and 0.5) catalysts were synthesized by wet impregnation method. The physicochemical properties of the prepared CuO/Ce(1-x)MnxO2 catalysts were characterized by N2 adsorption-desorption, powder X-ray diffraction (XRD) and programmed H2 temperature reduction (H2-TPR). The effects of Cu and Mn loading were investigated on the catalytic performance. The findings illustrated that the 7% CuO/Ce0.9Mn0.1O2 catalyst shows high activity for CO-PrOx. The high activity of 7% CuO/Ce0.9Mn0.1O2 catalyst was ascribed to high surface area of the support, synergetic effects of CuO and CeO2 and increases of the mobility of lattice oxygen in ceria by addition of MnO2. The effects of presence of H2O in the reaction feed stream, oxygen to CO ratio (λ) and gas hourly space velocity (GHSV) on the catalytic activity of 7% CuO/Ce0.9Mn0.1O2 were evaluated. It was found that the best performance of 7% CuO/Ce0.9Mn0.1O2 catalyst was obtained at λ=2, GHSV=20000 h-1 and in addition, the presence of H2O had negative effects on the activity of the catalyst. In the long term stability test, nearly 100% CO conversion was maintained for 50 h at 120°C with 70-80% CO2 selectivity.
Modeling and Simulation
Hadi Soltani; Sirous Shafiei
Volume 12, Issue 3 , July 2015, , Pages 77-95
Abstract
In this study a new and robust procedure is presented to solve synthesis of isothermal reactor networks (RNs) which considers more than one objective function. This method uses non-dominated sorting genetic algorithm II (NSGAII) to produce structural modification coupled with quasi linear programming ...
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In this study a new and robust procedure is presented to solve synthesis of isothermal reactor networks (RNs) which considers more than one objective function. This method uses non-dominated sorting genetic algorithm II (NSGAII) to produce structural modification coupled with quasi linear programming (LP) method for handling continuous variables. The quasi LP consists of an LP by adding a search loop to find the best reactor conversions as well as split and recycle ratios which are much easier to solve. To prevent complexity and ensure optimum solution, only ideal continuous stirred tank reactors (CSTRs), plug flow reactors (PFRs) and PFR with recycle stream are considered in producing reactor networks. Also, to avoid differential equations which appear in design equations of PFR reactors, CSTRs in series are replaced for each PFR. Results show that the proposed method finds better solutions than those reported in the literature.
Modeling and Simulation
A. R. Bahramian*
Volume 12, Issue 2 , April 2015, , Pages 37-49
Abstract
The computational fluid dynamics (CFD) simulations of gas turbine combustor were performed for CH4/air flow with swirl flames. The flow dynamics and velocity fields were numerically studied and the results compared with the experimental data obtained by laser measurements. Two-dimensional (2D) and three-dimensional ...
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The computational fluid dynamics (CFD) simulations of gas turbine combustor were performed for CH4/air flow with swirl flames. The flow dynamics and velocity fields were numerically studied and the results compared with the experimental data obtained by laser measurements. Two-dimensional (2D) and three-dimensional (3D) simulations were performed with consideration of a two-step oxy-combustion reaction kinetics model. The Eddy Dissipation Concept (EDC) combustion model was used in the numerical analysis. The numerical results obtained by EDC model were in good agreement with the experimental data. However, an error analysis showed that the simulated mean velocity components obtained by 3-D geometry were more consistent with the experimental data than those obtained by 2-D geometry.
Reaction Engineering, Kinetics and Catalysts,
Volume 11, Issue 4 , October 2014, , Pages 10-20
Reaction Engineering, Kinetics and Catalysts,
Volume 11, Issue 4 , October 2014, , Pages 31-39
Reaction Engineering, Kinetics and Catalysts,
Volume 11, Issue 4 , October 2014, , Pages 50-63
Process Control and Engineering, Process Safety, HSE
Volume 11, Issue 4 , October 2014, , Pages 64-75
Transport Phenomena,
Volume 11, Issue 3 , July 2014, , Pages 3-15
Reaction Engineering, Kinetics and Catalysts,
Volume 11, Issue 3 , July 2014, , Pages 16-25
Reaction Engineering, Kinetics and Catalysts,
Volume 11, Issue 3 , July 2014, , Pages 37-44
Reaction Engineering, Kinetics and Catalysts,
Volume 11, Issue 1 , January 2014, , Pages 42-54
Reaction Engineering, Kinetics and Catalysts,
Volume 11, Issue 1 , January 2014, , Pages 55-62
Reaction Engineering, Kinetics and Catalysts,
Volume 11, Issue 1 , January 2014, , Pages 69-74