Simulation and Optimization of Operating Conditions of a Packed Bed Reactor for Acrylonitrile Production from Propene Ammoxidation over $$\alpha$$-Bismuth Molybdate

Author(s):  
Seyed Javad Amirfakhri
Author(s):  
G. Prieto ◽  
O. Prieto ◽  
C. R. Gay ◽  
K. Mizuno ◽  
I. Tamori ◽  
...  

AbstractIn search of a technology capable of controlling atmospheric pollutants, like volatile organic compounds (VOCs) in low concentrations, this paper is concerned with the empirical modeling of a ferroelectric plasma packed-bed reactor at ambient temperature and pressure. The empirical model gives information about the decomposition efficiency of the process as a function of the reactor operating variables. The volatile organic compound selected is Carbon Tetrachloride balanced with air in the concentration-range of 150 to 600 ppm and flow-range of 175 to 325 ml/min. Regarding the decomposition efficiency as the objective function, this modeling provides valuable information about the optimal operating conditions.


2013 ◽  
Vol 135 (3) ◽  
Author(s):  
Ivan Ermanoski ◽  
Nathan P. Siegel ◽  
Ellen B. Stechel

We describe and analyze the efficiency of a new solar-thermochemical reactor concept, which employs a moving packed bed of reactive particles produce of H2 or CO from solar energy and H2O or CO2. The packed bed reactor incorporates several features essential to achieving high efficiency: spatial separation of pressures, temperature, and reaction products in the reactor; solid–solid sensible heat recovery between reaction steps; continuous on-sun operation; and direct solar illumination of the working material. Our efficiency analysis includes material thermodynamics and a detailed accounting of energy losses, and demonstrates that vacuum pumping, made possible by the innovative pressure separation approach in our reactor, has a decisive efficiency advantage over inert gas sweeping. We show that in a fully developed system, using CeO2 as a reactive material, the conversion efficiency of solar energy into H2 and CO at the design point can exceed 30%. The reactor operational flexibility makes it suitable for a wide range of operating conditions, allowing for high efficiency on an annual average basis. The mixture of H2 and CO, known as synthesis gas, is not only usable as a fuel but is also a universal starting point for the production of synthetic fuels compatible with the existing energy infrastructure. This would make it possible to replace petroleum derivatives used in transportation in the U.S., by using less than 0.7% of the U.S. land area, a roughly two orders of magnitude improvement over mature biofuel approaches. In addition, the packed bed reactor design is flexible and can be adapted to new, better performing reactive materials.


Energies ◽  
2020 ◽  
Vol 13 (3) ◽  
pp. 610 ◽  
Author(s):  
Jimin Zhu ◽  
Samuel Simon Araya ◽  
Xiaoti Cui ◽  
Simon Lennart Sahlin ◽  
Søren Knudsen Kær

Methanol as a hydrogen carrier can be reformed with steam over Cu/ZnO/Al2O3 catalysts. In this paper a comprehensive pseudo-homogenous model of a multi-tubular packed-bed reformer has been developed to investigate the impact of operating conditions and geometric parameters on its performance. A kinetic Langmuir-Hinshelwood model of the methanol steam reforming process was proposed. In addition to the kinetic model, the pressure drop and the mass and heat transfer phenomena along the reactor were taken into account. This model was verified by a dynamic model in the platform of ASPEN. The diffusion effect inside catalyst particles was also estimated and accounted for by the effectiveness factor. The simulation results showed axial temperature profiles in both tube and shell side with different operating conditions. Moreover, the lower flow rate of liquid fuel and higher inlet temperature of thermal air led to a lower concentration of residual methanol, but also a higher concentration of generated CO from the reformer exit. The choices of operating conditions were limited to ensure a tolerable concentration of methanol and CO in H2-rich gas for feeding into a high temperature polymer electrolyte membrane fuel cell (HT-PEMFC) stack. With fixed catalyst load, the increase of tube number and decrease of tube diameter improved the methanol conversion, but also increased the CO concentration in reformed gas. In addition, increasing the number of baffle plates in the shell side increased the methanol conversion and the CO concentration.


2017 ◽  
Vol 8 (2) ◽  
pp. 61-70
Author(s):  
Juan Jacobo Jaramillo Obando ◽  
Angie Vanessa Arias Suns

Higher alcohol 1-octanol was evaluated as jet fuel potential. The synthesis of the 1-octanol was modeled and the technological, economic and environmental evaluation of the global production process of the rice husk gasification was performed. The best operating conditions to 1-octanol synthesis were obtained in packed bed reactor PBR using Matlab software. Mass and energy balances were calculated using Aspen Plus Software. Economic assessment was developed using Aspen Process Economic Analyzer Software. Environmental impact evaluation was carried out using the waste reduction algorithm WAR. Process yield was 0.83 kg of 1-Octanol by kg of rice husk. Total production cost obtained was USD 0.957 per kg of 1-octanol and the total PEI of product leave the system is 0.08142 PEI/kg with a PEI mitigated of 12.97 PEI/kg. Production process of high alcohols from rice husk shows a high potential technological, economical and environmental as a sustainable industry at take advantage of an agroindustrial residue and transformed in products with added value and energy. 1-octanol as jet fuel has a potential but need to be more studied for direct use in jet motors.


Flow maldistributions and corresponding hot spots may cause adverse effects in the operation of down-flow packed-bed reactors. To avoid these phenomena it is necessary to know when and how they occur. In this work, a three-dimensional model that considers the effects of fluid flow, mass transfer by diffusion, heat transfer by conduction and reactant consumption by an exothermic irreversible first-order reaction is used to analyse an adiabatic packed-bed reactor with down-flow. It is shown that the one-dimensional uniform down-flow can become unstable to three-dimensional stationary and time-dependent perturbations, giving rise to non-uniform flow fields that lead to fixed as well as moving hot spots. The boundary of the region of the operating conditions at which these instabilities occur is determined as a function of the various physicochemical parameters that characterize the packed-bed reactor.


Author(s):  
Vinila Mundakkal Lakshmanan ◽  
Aparna Kallingal ◽  
Sreepriya Sreekumar

Abstract A mathematical model is developed and designed for the cumene reactor in cumene production process in Hindustan Organic Chemicals Limited (HOCL), Kochi with improved operating conditions. High purity cumene is produced by the alkylation of benzene with propylene in this catalytic condensation process where solid phosphoric acid (SPA) is used as the catalyst. The mathematical model has been derived from mass and energy balance equations considering the reactor as fixed packed bed reactor and two different numerical methods are presented here to solve the modelling equations. The explicit finite difference method (FDM) involves the approximation of derivatives into finite differences, and in the other one, orthogonal collocation (OC), Ordinary Diffeential Equations (ODEs) are formed at the collocation points and are solved using Runge–Kutta fourth order numerical scheme. Here the analysis shows that the predictions from the model are in good alignment with the plant data. The combined feed has the optimum value of 1:2:8 for propylene, propane and benzene and the profiles of temperature and concentration can be obtained along the reactor. The model has been implemented in COMSOL Multiphysics as a packed bed reactor using the same parameters collected from the plant of study. It has been found that the reaction occurs at a satisfactory level even with a low temperature than the reactor temperature at the plant by changing the catalytic particle size. The reaction performance is also analysed for the physical properties like porosity and catalyst size.


2016 ◽  
Vol 14 (6) ◽  
pp. 1177-1185 ◽  
Author(s):  
Tristán Esparza-Isunza ◽  
Felipe López-Isunza

Abstract A model is developed to study the transient behavior of a non-isothermal, non-adiabatic packed-bed reactor during VOC (toluene) oxidation with air on a mixed-oxide catalyst via Mars-van Krevelen kinetic scheme. The aim is to find a safe reactor design and operating conditions for VOC elimination, which has been collected in a battery of adsorption units from dilute VOC streams. Once each adsorption column is saturated, a non-isothermal desorption takes place, and the gas stream exiting the sequence of VOC desorption columns feeds continuously the catalytic reactor for VOC elimination. The reactor model describes a 2D two-phase system interacting through the gas-solid interphase, including convection and axial and radial dispersions of mass and heat. The simulations show that the gas flow velocity, and reactor and particle diameters, are key parameters to achieve a safe design, and that traveling reaction fronts in the packed-bed exist when a series of reversible stepwise changes are performed in the concentration and temperature at the feed, as a result of the transient balance between heat generation and heat elimination along the packed-bed. When comparing the perturbation in VOC concentration at the feed versus those in temperature, a large parametric sensitivity is observed for the latter case without the presence of multiple steady states. Due to the uncertainty in the values of the effective heat transport parameters, transient responses of different magnitude are observed for the same operating conditions when using heat transport parameter of different magnitude.


2002 ◽  
Vol 752 ◽  
Author(s):  
Victor Diakov ◽  
Arvind Varma

ABSTRACTFor methanol oxidative dehydrogenation to formaldehyde, the performance of the packed-bed membrane reactor (PBMR) is compared with that of the conventional fixed-bed reactor (FBR) over a wide range of operating conditions. The reaction was studied in three reactor configurations: the conventional FBR and the packed-bed membrane reactor, with either methanol (PBMR-M) or oxygen (PBMR-O) as the permeating component. The kinetics of methanol and formaldehyde partial oxidation reactions were determined and incorporated in a PBMR model. Both experimental data and model considerations demonstrate that the PBMR enhances reactant conversion and selectivity.Small oscillations in CO production were observed experimentally. Their amplitude was taken as a basis for comparison of packed-bed operation instability. The likely source of oscillatory behavior is the non-uniformity in reaction conditions along the reactor. It was found that membrane distributed feed, by providing a more uniform reactor operation, is an effective remedy from these instabilities.It is found, both by simulations and experimental observations, that relative reactor performance depends strongly on the operating conditions. Using formaldehyde yield as the basis for optimization, optimal reactor performances are determined to be in the order: PBMR-O > FBR > PBMR-M. Further PBMR productivity enhancement is possible by optimizing the membrane feed distribution pattern.


1995 ◽  
Vol 31 (1) ◽  
pp. 215-225 ◽  
Author(s):  
Gerald E. Speitel ◽  
Robert L. Segar

Aerobic cometabolism of chlorinated aliphatic solvents in biofilm reactors is a potential treatment technology for contaminated water and air streams. This research investigated cometabolism by pure and mixed cultures of methanotrophs and mixed cultures of phenol-degrading bacteria. Initial experiments with continuous-flow, packed-bed bioreactors proved unsuccessful; therefore, the major focus of the work was on sequencing biofilm reactors, which cycle between two modes of operation, degradation of chlorinated solvents and rejuvenation of the microbial population. Particular success was obtained with a mixed culture of phenol degraders in the treatment of chlorinated ethenes (e.g., trichloroethylene - TCE). Under the best operating conditions, 90% removal of TCE occurred at a 14-minute packed-bed hydraulic residence time. The bioreactors required only two, 1.5 h biomass rejuvenation periods per day to sustain this removal. Experiments with Methylosinus trichosporium OB3b were less successful because of the organism's slow growth rate, relatively poor ability to attach to surfaces, and its inability to successfully compete with other methanotrophs in the bioreactor environment. Overall, however, the research demonstrated the potential attractiveness of sequencing biofilm reactors in treating water contaminated with chlorinated solvents.


2021 ◽  
Vol 407 ◽  
pp. 127065
Author(s):  
Robert D. Franklin ◽  
Joshua A. Whitley ◽  
Adam A. Caparco ◽  
Bettina R. Bommarius ◽  
Julie A. Champion ◽  
...  

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