Simulation of gas-solid fluidized bed reactor for F-T synthesis

Using the lumping method, CH_4, C_3H_8, C_10H_22, and C_22H_44 were chosen as themodel products, and CO as the key component. The mathematical model of a gas-solidfluidized bed reactor was established based on some hypotheses. The consumption kinetic model of CO was investigated, and the parameters were estimated by UniversalGlobal Optimization with the Marquardt method. Residual error distribution and a statisticaltest show that the intrinsic kinetic models are reliable and acceptable. A model of carbonchain growth probability was established in terms of experiments. Coupled with the Ander-son- Schulz-Flory (ASF) distribution, the amount of specific product could be obtained.Large- scale cold model experiments were conducted to investigate the distribution of thegas (solid) phase and determine the function of the voidage with the location of the catalytic bed. The change tendencies of the components in the catalytic bed at different temperatures were computed and figured out. The calculated value computed by the modelestablished for the Fe-based F-T synthesis catalyst fit the experimental value very wellunder the same operating conditions, and all the absolute values of the relative deviationsare less than 5%.

Conversion enhancement of tubular fixed-bed reactor for Fischer-Tropsch synthesis using static mixer

Recently, Fischer-Tropsch synthesis （FTS） has become an interesting technology because of its potential role in producing biofuels via Biomass- to-Liquids （BTL） processes. In Fischer-Tropsch （FT） section, biomass-derived syngas, mainly composed of a mixture of carbon monoxide （CO） and hydrogen （H2）, is converted into various forms of hydrocarbon products over a catalyst at specified temperature and pressure. Fixed-bed reactors are typically used for these processes as conventional FT reactors. The fixed-bed or packed-bed type reactor has its drawbacks, which are heat transfer limitation, i.e. a hot spot problem involved highly exothermic characteristics of FT reaction, and mass transfer limitation due to the condensation of liquid hydrocarbon products occurred on catalyst surface. This work is initiated to develop a new chemical reactor design in which a better distribution of gaseous reactants and hydrocarbon products could be achieved, and led to higher throughput and conversion. The main goal of the research is the enhancement of a fixed-bed reactor, focusing on the application of KenicsTM static mixer insertion in the tubular packed-bed reactor. Two FTS experiments were carried out using two reactors i.e., with and without static mixer insertion within catalytic beds. The modeled syngas used was a mixed gas composed of H2/CO in 2 ： 1 molar ratio that was fed at the rate of 30 mL（STP）·min^- 1 （GHSV ≈ 136 mL·gcat^-1 ·h^-1） into the fixed Ru supported aluminum catalyst bed of weight 13.3 g. The reaction was carried out at 180 ℃ and atmospheric pressure continuously for 36 h for both experiments. Both transient and steady-state conversions （in terms of time on stream） were reported. The results revealed that the steady-state CO conversion for the case using the static mixer was approximately 3.5 times higher than that of the case without static mixer. In both cases, the values of chain growth probability of hydrocarbon products （α） for Fischer-Tropsch synthesis were 0.92 and 0.89 for the case with and without static mixer, respectively.

Mathematical Simulation and Design of Three-Phase Bubble Column Reactor for Direct Synthesis of Dimethyl Ether from Syngas

A three-phase reactor mathematical model was set up to simulate and design a three-phase bubble column reactor for direct synthesis of dimethyl ether （DME） from syngas, considering both the influence of part inert carrier backmixing on transfer and the influence of catalyst grain sedimentation on reaction. On the basis of this model, the influences of the size and reaction conditions of a 100000 t/a DME reactor on capacity were investigated. The optimized size of the 10000 t/a DME synthesis reactor was proposed as follows： diameter 3.2 m, height 20 m, built-in 400 tube heat exchanger （Ф 38×2 mm）, and inert heat carrier paraffin oil 68 t and catalyst 34.46 t. Reaction temperature and pressure were important factors influencing the reaction conversion for different size reactors. Under the condition of uniform catalyst concentration distribution, higher pressure and temperature were proposed to achieve a higher production capacity of DME. The best ratio of fresh syngas for DME synthesis was 2.04.

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

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 κ-ε 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 predicted. Consequently, the optimum temperature, pressure, hydrogen to carbon monoxide ratio in the feedstock and the reactor height under different operation conditions were determined. Finally, the results obtained from this three-dimensional dynamic model under appropriate industrial boundary conditions were compared with those of others available in literature to verify the model. Next, through changing the boundary conditions, the simulation was performed for an isothermal fixed bed reactor. Furthermore, it was revealed that, under isothermal conditions, the performed equilibrium simulations were done for a single phase system. Considering the simultaneous effects of temperature and pressure, the optimum operation conditions for the isothermal and adiabatic fixed bed reactors were investigated. The results of the H2＋CO conversions indicated that, under isothermal condition, higher conversion could be achieved, in compared with that under adiabatic conditions. Then, the effects of various operating parameters, including the pressure and temperature, of the reactor on the DME production were examined. Ultimately, the CFD modeling results generated in the present work showed reasonable agreement with previously obtained data available in the literature.

Modeling and optimization of industrial Fischer–Tropsch synthesis with the slurry bubble column reactor and iron-based catalyst

To optimize industrial Fischer-Tropsch （IT） synthesis with the slurry bubble column reactor （SBCR） and iron- based catalyst, a comprehensive process model for IT synthesis that includes a detailed SBCR model, gas liquid separation model, simplified CO2 removal model and tail gas cycle model was developed. An effective iteration algorithm was proposed to solve this process model, and the model was validated by industrial demonstration experiments data （SBCR with 5.8 m diameter and 30 m height）, with a maximum relative error 〈 10% for predicting the SBCR performances. Subsequently, the proposed model was adopted to optimize the industrial SBCR performances simultaneously considering process and reactor parameters variations. The results show that C5＋yield increases as catalyst loading increases within 10-70 ton and syngas H2/CO value decreases within 1.3-1.6, but it doesn＇t increase obviously when the catalyst loading exceeds 45 ton （about 15 wt% concentration）. Higher catalyst loading will result in higher difficulty for wax/catalyst separation and higher catalyst cost. There- fore, the catalyst loading （45 ton） is recommended for the industrial demonstration SBCR operation at syngas H2/ CO = 1.3, and the C5 ＋ yield is about 402 ton＂ per day, which has an about 16% increase than the industrial dem- onstration run result.

Optimal reaction conditions for pyridine synthesis in riser reactor

Pjridine has been generally synthesized by aldehydes and ammonia in a turbulent fluidized-bed reactor. In this paper, a novel riser reactor was proposed for pyridine synthesis. Experiment result showed that the yield of pyridine and 3-picoline decreased, but the selectivity of pyridine over 3-picoline increased compared to turbulent fluidized-bed reactor. Based on experimental data, a modified kinetic model was used for the determination of optimal operating condition for riser reactor. The optimal operating condition of riser reactor given by this modified model was as follows： The reaction temperature of 755 K, catalyst to feedstock ratio （CTFR） of 87, residence timeof3.8sandinitialacetaldehydesconcentrationof0.0029mol.L-1 （acetaldehydes to formaldehydes ratio by mole （ATFR） of 0.65 and ammonia to aldehydes ratio by mole （ATAR） of 0.9, water contention of 63wt% （formaldehyde solution））.

An Integrated Process of a Two-Stage Fixed Bed Syngas Production and F-T Synthesis for GTL in Remote Gas Field

A novel process for catalytic oxidation of methane to synthesis gas (syngas), which consists of two consecutive fixed-bed reactors with air introduced into the reactors, integrated Fischer-Tropsch synthesis, was investigated. At the same time, a catalytic combustion technology has been investigated for utilizing the F-T offgas to generate heat or power energy. The results show that the two-stage fixed reactor process keep away from explosion of CH4/O2. The integrated process is fitted to produce diesel oil and lubricating oil in remote gas field.

Two-Bubble Class Model for Churn-Turbulent Regime in a Bubble Column Slurry Reactor of Fischer-Tropsch Synthesis

A model for a bubble column slurry reactor is developed based on the experiment of Rhenpreussen Koppers demonstration plant for slurry phase Fischer-Tropsch synthesis reported by Koelble et al. This model is applicable to the operation in the churn-turbulent regime and incorporates the information on the bubble size. The axial dispersion model is adopted to describe the flow characteristics of the Fischer-Tropsch slurry reactor. With the model developed, simulations are performed to identify the steady state behavior of a Fischer-Tropsch slurry reactor of commercial size. Predictions of the two-bubble class model is compared with that of the conventional single- bubble class model. The results show that under a variety of conditions, the two-bubble class model gives results different from those for the single-bubble class model.

Ruthenium promotion of Co/SBA-15 catalysts for Fischer-Tropsch synthesis in slurry-phase reactors

The aim of this work was to evaluate the catalytic properties of a Ru promoted Co/SBA-15 catalyst for Fischer-Tropsch synthesis （FTS）. The Ru promoted Co/SBA-15 catalyst was prepared by wet impregnation method and was characterized by X-ray diffraction, X-ray energy dispersion spectrophotometer, N2 adsorption-desorption, temperature-programmed reduction and transmission electron microscopy. The Fischer-Tropsch synthesis using the catalyst was carried out to evaluate the catalyst activity and its effect on FTS product distribution. The synthesis was carried out in a slurry reactor operating at 513 K, 20 atm, CO ： H2 molar ratio of 1 ： 1. X-ray diffraction showed that the calcined cobalt catalyst did not modify the structure of SBA-15, proving that Co was present in the form of Co3O4 in the catalyst. The addition of cobalt in SBA-15 decreased the specific superficial area of the molecular sieve. Fischer-Tropsch synthesis activity and C5＋ hydrocarbon selectivity increased with the addition of Ru. The increases in activity and selectivity were attributed to the increased number of active sites resulting from higher reducibility and the synergetic effect of Ru and Co. Ru/Co/SBA-15 catalysts showed moderate conversion （40%） and high selectivity towards the production of C5＋ （80 wt%）.

Microchannel reactors for Fischer-Tropsch synthesis:Experimental investigation and mathematical modeling

The Fischer-Tropsch synthesis is a significant technology for converting coal,natural gas,and biomass into synthetic fuels.In recent years,the use of microchannel reactors for the Fischer-Tropsch synthesis has attracted significant attention.Fischer-Tropsch synthesis experiments were carried out in a microchannel reactor and the influences of reaction conditions on the experimental results were investigated in this study.Based on the experimental data,a dynamic multi-component pseudo-homogeneous variable-volume flow model of microchannel reactors for the Fischer-Tropsch synthesis was built to determine the pressure-,velocity-,conversion-and(component-wise)concentration-distributions in reaction channels.The model takes into account the combined effects of gas volume expansion caused by the frictional pressure drop and gas volume contraction caused by reaction consumption.A novel effective method for calculating the pressure and superficial gas velocity values in microchannel reactors was proposed in the model.Besides that,two sets of experimental data were selected from references to evaluate the validity and accuracy of the model.The reaction performances in the microchannels were analyzed carefully based on the calculated results.

Modelling of Microchannel Reactors for Fischer-Tropsch Synthesis

The Fischer-Tropsch synthesis is an important step in coal liquefaction,natural gas liquefaction,and biomass liquefaction.In recent years,the use of microchannel reactors for Fischer-Tropsch synthesis has received widespread attention.Since thermocouples and other sensors cannot be placed easily in a microchannel reactor,it is very vital to establish a model to provide calculated results highly compatible with the experimental data.This paper mainly introduces the establishment and solution of microchannel reactor models for Fischer-Tropsch synthesis.General mass transfer differential equations,heat transfer differential equations and related parameters(such as reaction rates,dispersion coefficient,and convective heat transfer coefficient)are listed.To solve the models,numerical solutions,such as the CFD simulation methods and the programming methods,are reviewed.It is recommended that a more accurate solution strategy is the combination of CFD simulation and programming methods.

Modeling of a Reverse Flow Reactor for Methanol Synthesis Modeling of a Reverse Flow Reactor for Methanol Synthesis

An accurate one-dimensional, heterogeneous model taking account of axial dispersion and heat transfer to the reactor wall, and heat conduction through the reactor wall for methanol synthesis in a bench scale reactor under periodic reversal of flow direction is presented. Adjustable parameters in this model are the effectiveness factors for each of the three reactions occurring in the synthesis and a factor for the bed to wall heat transfer coefficient correlation. Experimental data were used to evaluate these parameters and reasonable values of these parameters were obtained. The model was found to closely predict the reactor performance under a wide range of operating conditions, such as carbon oxide concentrations, volumetric flow rate, and cyclic period.

Studies on the Preparation and Catalyticproperties of Fe-C-Mn Ultrafine particle Catalyst in F-T synthesis

Based on the Fe/C ultrafine particle obtained by means of laser pyrolysis method, a series of Fe-C-Mn ultrafine particle catalysts for F-T synthesis were prepared by adding certain amounts of Mn organic compounds to the Fe/C UFP. XRD and TEM tests for the obtained catalysts showed that the active phases, α-Fe, Fe3Cand (Fe,Mn)O. were directly obtained. and that the particle size was in the range of 2-4 nm. The catalysts so obtained have stable structure, long life, high activity and selectivity for light olefins, especially for propylene. Testing of the crystal structure in the process of the reaction demonstrated the carbonide mechanism of FT synthesis and the presence of α-Fe, FexCy and (Fe, Mn)O, thus supporting the belief that these are the active phases.

Precision Synthesis of a Long-Chain Silane Coupling Agent Using Micro Flow Reactors and Its Application in Dentistry

In dentistry, a wide range of materials is available for restorative treatment;a typical product of such restorative materials mainly consists of radically polymerizable monomer(s) and inorganic filler(s) (for added physical strength), as well as a surface modifier (e.g. silane coupling agent) for improved affinity between monomer and filler. It is favorable to use an optimal surface modifier depending on the respective restorative materials. However, commercially available surface modifiers, which are synthesized by the ton, are not always suited for what is required for properties of the many different dental restorative materials. As a potential solution to such a problem, we focused on the latest technology, “micro flow reactors” that enabled an on-demand low-volume synthesis of many types of surface modifiers. Using micro reaction fields of such flow reactors, we synthesized a novel long-chain silane coupling agent. Compared to the control system synthesized using a conventional reaction flask, the novel system enabled significant reduction in reaction time without inducing any major side reactions. A dental composite resin that was treated with the novel coupling agent exhibited higher toughness, suggesting that such a silane coupling agent was an effective surface modifier.

Preparation of β-SiC by combustion synthesis in a large-scale reactor

The feasibility of 5 kg β-SiC synthesized in one batch was demonstrated through igniting the mixture of Si, C-black and polytetrafluoroethylene （PTFE） under different nitrogen pressures. The effect of experimental parameters, including the contents of PTFE, nitrogen pressure, preheating, and raw materials distribution forms were investigated. The results show that the products are β-SiC with equiaxed grains. The average grain size is less than 200 nm. The powders loaded loosely promote reaction heat dispersing, resulting in small grains. High purity β-SiC powders are obtained when the PTFE content is as low as 5wt%, which simplifies the process and decreases the cost effectively. The ceramic sintered from the obtained β-SiC powders presents the hardness of 22.20 GPa, the bending strength as high as 715.15 MPa and the fracture toughness of 8.179 MPa·m^1/2, which are higher than those of ceramics fabricated with α-SiC produced by combustion synthesis.

SYNTHESIS OF DIPEPTIDE THROUGH A TWO-LIQUID-PHASE ENZYME MEMBANE REACTOR

The synthesis of dipeptide AcPheLeuNH2 catalyzed by immobilized pancreatic lipase was carried out in a two- liquid-phase hollow-fiber membrane reactor, operated in a batch mode. Kinetic properties of free and immobilized enzyme, partition behavior between aqueous buffer phase and organic solvent phase, and effective diffusion coefficients of substrates and products through the membrane were investigated respectively. Based on the preliminary experimental results, the performance of the enzyme membrane reactor, which is evaluated by the purity and the yield, is discussed.

Simultaneous production and utilization of methanol for methyl formate synthesis in a looped heat exchanger reactor configuration

In this investigation, a novel thermally coupled reactor （TCR） containing methyl formate （MF） production in the endothermic side and methanol synthesis in the exothermic side has been investigated. The interesting feature of this TCR is that productive methanol in the exothermic side could be recycled and used as feed of endothermic side for MF synthesis. Other important advantages of the proposed system are high production rates of hydrogen and MF. The configuration consists of two thermally coupled concentric tubular reactors. In these coupled reactors, autothermal system is obtained within the reactor. A steady-state heterogeneous model is used for simulation of the coupled reactor. The proposed model has been utilized to compare the performance of TCR with the conventional methanol reactor （CMR）. Noticeable enhancement can be obtained in the performance of the reactors. The influence of operational parameters is studied on reactor performance. The results show that coupling of these reactions could be feasible and beneficial. Experimental proof-of-concept is required to validate the operation of the novel reactor.

Overview of Fischer-Tropsch Synthesis in Slurry Reactors

A brief review of Fischer-Tropsch synthesis specially in slurry reactors is presented, covering reaction kinetics, activity and selectivity of catalysts, product distribution, effects of process parameters, mass transfer and solubility of gas. Some important aspects of further research are proposed for improving both theories and production.

Modeling and simulation of tube-shell reactor for dimethyl-ether synthesis from coal-based synthesis ga

Mathematical simulation was performed on tube-shell reactor for dimethyl ether （DME） synthesis from coal-based syngas. The model was established based on kinetics of dimethyl-ether synthesis from syngas over a bifunctional catalyst, which is mixed by methanol synthesis catalyst and dehydration catalyst as 1：1 mass ratio. Methanol synthesis from CO and CO2 and methanol dehydration were selected as three-independent reactions, CO, CO2, and DME as key components to estab- lish the one-dimensional mathematical model of the reactor. The gas concentration and temperature profiles inside the reactor tubes were obtained. The operating conditions affecting DME synthesis were also discussed based on the model. The simula- tions indicate that higher pressure and lower temperature at the inlet and rich hydrogen in the reactant are favorable in direct DME synthesis in fixed-bed process, and the temperature of boiling water affect the reactor performance seriously.

CFD Numerical Simulation of Hydrodynamics in a Rotor-Stator Reactor for Biodiesel Synthesis

In this paper a rotor-stator spinning disk reactor for intensified biodiesel synthesis is described and numerically simulated. The reactor consists of two flat disks, located coaxially and parallel to each other with a gap ranging from 0.1 mm to 0.2 mm between the disks. The upper disk is located on a rotating shaft while the lower disk is stationary. The feed liquids, triglycerides (TG) and methanol are introduced coaxially along the center line of rotating disk and stationary disk, respectively. Fluid hydrodynamics in the reactor for synthesis of biodiesel from TG and methanol in the presence of a sodium hydroxide catalyst are simulated, using convection-diffusion-reaction species transport model by the CFD software ANSYS? Fluent v. 13.0. The effects of upper disk’s spinning speed and gap size are evaluated.