Different efficiency toward the biomimetic aerobic oxidation of benzyl alcohol in microchannel and bubble column reactors: Hydrodynamic characteristics and gas–liquid mass transfer

The selective aerobic oxidation of benzyl alcohol to benzaldehyde has attracted considerable attention because benzaldehyde is a high value-added product. The rate of this typical gas–liquid reaction is significantly affected by mass transfer. In this study, CoTPP-mediated(CoTPP: cobalt(II) mesotetraphenylporphyrin) selective benzyl alcohol oxidation with oxygen was conducted in a membrane microchannel(MMC) reactor and a bubble column(BC) reactor, respectively. We observed that 83% benzyl alcohol was converted within 6.5 min in the MMC reactor, but only less than 10% benzyl alcohol was converted in the BC reactor. Hydrodynamic characteristics and gas–liquid mass transfer performances were compared for the MMC and BC reactors. The MMC reactor was assumed to be a plug flow reactor,and the dimensionless variance was 0.29. Compared to the BC reactor, the gas–liquid mass transfer was intensified significantly in MMC reactor. It could be ascribed to the high gas holdup(2.9 times higher than that of BC reactor), liquid film mass transfer coefficient(8.2 times higher than that of BC reactor), and mass transfer coefficient per unit interfacial area(3.8 times higher than that of BC reactor). Moreover,the Hatta number for the MMC reactor reached up to 0.61, which was about 15 times higher than that of the BC reactor. The computational fluid dynamics calculations for mass fractions in both liquid and gas phases were consistent with the experimental data.

An optimization method for enhancement of gas–liquid mass transfer in a bubble column reactor based on the entropy generation extremum principle

In this study,an optimization method is proposed to enhance the gas–liquid mass transfer in bubble column reactor based on the entropy generation extremum principle.The mass transfer–induced entropy generation can be maximized with the increase of mass transfer rate,based on which the velocity field can be optimized.The oxygen gas–liquid mass transfer is the major rate–limiting step of the toluene emissions biodegradation process in bubble column reactor,so the entropy generation due to oxygen mass transfer is used as the objective function,and the conservation equations of the gas–liquid flow and species concentration are taken as constraints.This optimization problem is solved by the calculus of variations,the optimal liquid flow pattern is obtained and the relationship of the maximum mass transfer enhancement on viscous dissipation is revealed,which can be used to improve the design of internal structure of the bubble column reactor.

Structure optimization of gas-liquid combined loop reactor using a CFD-PBE coupled model

Flow characteristics, such as flow pattern, gas holdup, and bubble size distribution, in an internal loop reactor with external liquid circulation, are simulated to investigate the influence of reactor internals by using the computational fluid dynamics （CFD）-population balance equations （PBE） coupled model. Numerical results reveal that introducing a downcomer tube and a draft tube can help to improve the mass and heat transfer of the reactor through enhanced liquid circulation, increased gas holdup and reduced bubble diameter. The hydrodynamic behavior in the internal loop reactor with external liquid circulation can be managed effectively by adjusting the diameter and axial position of the draft tube.

Verification of a self-developed CFD-based multi-physics coupled code MPC-LBE for LBE-cooled reactor

To perform an integral simulation of a pool-type reactor using CFD code,a multi-physics coupled code MPC-LBE for an LBE-cooled reactor was proposed by integrating a point kinetics model and a fuel pin heat transfer model into self-developed CFD code.For code verification,a code-to-code comparison was employed to validate the CFD code.Furthermore,a typical BT transient benchmark on the LBE-cooled XADS reactor was selected for verification in terms of the integral or system performance.Based on the verification results,it was demonstrated that the MPC-LBE coupled code can perform thermal-hydraulics or safety analyses for analysis for processes involved in LBE-cooled pool-type reactors.

Numerical Investigation on the Flow and Temperature Fields in an Inductively Coupled Plasma Reactor

This paper gives a numerical study on the flow and temperature fields in an induced plasma reactor, which worked in 0.5 ATM with air as a working gas. We employed a two-dimensional mode of an inductively coupled plasma to calculate the temperature and flow field of the reactor as well as the generator. The algorithm is based on the solutions of the two-dimensional continuity, momentum, and energy equations in term of vorticity, stream function and enthalpy. An upwind finite-difference scheme was adopted to solve those equations with appropriate boundary conditions. The computed results show that there is a flat region with little parameter change in the reactor, that the diameter of the region is not much larger than that of the generator and that a deep change of parameter exists in the outer side of the region.

Transient Analysis of a Reactor Coolant Pump Rotor Seizure Nuclear Accident

The reactor coolant pump(RCP)rotor seizure accident is defined as a short-time seizure of the RCP rotor.This event typically leads to an abrupt flow decrease in the corresponding loop and an ensuing reactor and turbine trip.The significant reduction of core coolant flow while the reactor is being operated at full load can have very negative consequences.This potentially dangerous event is typically characterized by a complex transient behavior in terms of flow conditions and energy transformation,which need to be analyzed and understood.This study constructed transient flow and rotational speed mathematical models under various degrees of rotor seizure using the test data collected from a dedicated transient rotor seizure test system.Then,bidirectional fluid-solid coupling simulations were conducted to investigate the flow evolution mechanism.It is found that the influence of the impeller structure size and transient braking acceleration on the unsteady head(Hu)is dominant in rotor seizure accident events.Moreover,the present results also show that the rotational acceleration additional head(Hu1)is much higher than the instantaneous head(Hu2).

Preliminary safety analysis for heavy water-moderated molten salt reactor

The heavy water-moderated molten salt reactor(HWMSR)is a newly proposed reactor concept,in which heavy water is adopted as the moderator and molten salt dissolved with fissile and fertile elements is used as the fuel.Issues arising from graphite in traditional molten salt reactors,including the positive temperature coefficient and management of highly radio-active spent graphite waste,can be addressed using the HWMSR.Until now,research on the HWMSR has been centered on the core design and nuclear fuel cycle to explore the viability of the HWMSR and its advantages in fuel utilization.However,the core safety of the HWMSR has not been extensively studied.Therefore,we evaluate typical accidents in a small modular HWMSR,including fuel salt inlet temperature overcooling and overheating accidents,fuel salt inlet flow rate decrease,heavy water inlet temperature overcooling accidents,and heavy water inlet mass flow rate decrease accidents,based on a neutronics and thermal-hydraulics coupled code.The results demonstrated that the core maintained safety during the investigated accidents.

Effect of pressure and space between electrodes on the deposition of SiN_(x)H_(y)films in a capacitively coupled plasma reactor

The fluid model,also called the macroscopic model,is commonly used to simulate low temperature and low pressure radiofrequency plasma discharges.By varying the parameters of the model,numerical simulation allows us to study several cases,providing us the physico-chemical information that is often difficult to obtain experimentally.In this work,using the fluid model,we employ numerical simulation to show the effect of pressure and space between the reactor electrodes on the fundamental properties of silicon plasma diluted with ammonia and hydrogen.The results show the evolution of the fundamental characteristics of the plasma discharge as a function of the variation of the pressure and the distance between the electrodes.By examining the pressure-distance product in a range between 0.3 Torr 2.7 cm and 0.7 Torr 4 cm,we have determined the optimal pressure-distance product that allows better deposition of hydrogenated silicon nitride(SiN_(x)H_(y))films which is 0.7 Torr 2.7 cm.

Seawater desalination plant using nuclear heating reactor coupled with MED process

A small size plant for seawater desalination using nuclear heating reactor coupled with MED process was developed by the institute of Nuclear Energy Tech- nology, Tsinghua University, China. This seawater desalination plant was designed to supply potable water demand to some coastal location or island where both fresh wa ter and energy source are severely lacking. It is also recommended as a demonstration and training facility for seawater desalination using nuclear energy. The design of small size of seawater desalination plant couples two proven tech- nologies: Nuclear Heating Reactor (NHR) and Multi-Effect Destination (MED) pro cess. The NHR design possesses intrinsic and passive safety features, which was demon strated by the experiences of the project NHR-5. The intermediate circuit and steam circuit were designed as the safety barriers between the NHR reactor and MED de salination system. Within 10-200 MWt of the power range of the heating reactor, the desalination plant could provide 8000 to 150,000 m^3/d of high quality potable water. The design concept and parameters, safety features and coupling scheme are presented.

Oxidative coupling of methane in a fixed bed reactor over perovskite catalyst:A simulation study using experimental kinetic model

The oxidative coupling of methane （OCM） to ethylene over a perovskite titanate catalyst in a fixed bed reactor was studied experimentally and numerically. The two-dimensional steady state model accounted for separate energy equations for the gas and solid phases coupled with an experimental kinetic model. A lumped kinetic model containing four main species CH4, O2, COx （CO2, CO）, and C2 （C2H4 and C2H6） was used with a plug flow reactor model as well. The results from the model agreed with the experimental data. The model was used to analyze the influence of temperature and feed gas composition on the conversion and selectivity of the reactor performance. The analytical results indicate that the conversion decreases, whereas, C2 selectivity increases by increasing gas hourly space velocity （GHSV） and the methane conversion also decreases by increasing the methane to oxygen ratio.

Modeling bubble column reactor with the volume of fluid approach:Comparison of surface tension models

This work aims at comparing surface tension models in VOF(Volume of Fluid) modeling and investigating the effects of gas distributor and gas velocity. Hydrodynamics of a continuous chain of bubbles inside a bubble column reactor was simulated. The grid independence study was first conducted and a grid size of 1.0 mm was adopted in order to minimize the computing time without compromising the accuracy of the results. The predictions were validated by comparing the experimental studies reported in the literature. It was found that all surface tension models can describe the bubble rise and bubble plume in a column with slight deviations.

Analysis of a Water-Inrush Disaster Caused by Coal Seam Subsidence Karst Collapse Column under the Action of Multi-Field Coupling in Taoyuan Coal Mine

Minin-induced water inrush from a confined aquifer due to subsided floor karst collapse column(SKCC)is a type of serious disaster in the underground coal extraction.Karst collapse column(KCC)developed in a confined aquifer occurs widely throughout northern China.A water inrush disaster from SKCC occurred in Taoyuan coal mine on February 3,2013.In order to analyze the effect of the KCC influence zone’s(KCCIZ)width and the entry driving distance of the water inrush through the fractured channels of the SKCC,the stress,seepage,and impact dynamics coupling equations were used tomodel the seepage rule,and a numerical FLAC3D model was created to determine the plastic zones,the vertical displacement development of the rockmass surrounding the entry driving working face(EDWF),and the seepage vector and water inflow development of the seepage field.The hysteretic mechanism of water inrush due to SKCC in Taoyuan coal mine was investigated.The results indicate that a water inrush disaster will occur when the width of the KCCIZ exceeds 16 m under a driving,which leads to the aquifer connecting with the fractured zones of the entry floor.Hysteretic water inrush disasters are related to the stress release rate of the surrounding rocks under the entry driving.When the entry driving exceeds about 10 m from the water inrush point,the stress release rate reaches about 100%,and a water inrush disaster occurs.

Scale up and stability test for oxidative coupling of methane over Na_2WO_4-Mn/SiO_2 catalyst in a 200 ml fixed-bed reactor

The study of scale up for the oxidative coupling of methane （OCM） has been carried out in a 200 ml stainless steel fixed-bed reactor over a 5wt% Na2WO4-1.9wt% Mn/SiO2 （W-Mn/SiO2） catalyst. The effects of reaction conditions were investigated in detail. The results showed that, with increasing reaction temperature, the gas-phase reaction was enhanced and a significant amount of methane was converted into COx; with the CH4/O2 molar ratio of 5, the highest C2 （ethylene and ethane） yield of 25% was achieved; the presence of steam （as diluent） had a positive effect on the C2 selectivity and yield. Under lower methane gaseous hourly space velocity （GHSV）, higher selectivity and yield of C2 were obtained as the result of the decrease of released heat energy. In 100 h reaction time, the C2 selectivity of 66%-61% and C2 yield of 24.2%-25.4% were achieved by a single pass without any significant loss in catalytic performance.

Oxidative coupling of methane in a dual-bed reactor comprising of particle/cordierite monolithic catalysts

A dual-bed reactor was constructed comprising of a 5%Na2WO4-2%Mn/SiO2 particle catalyst and a 4%Ce-5%Na2WO4-2%Mn/SiO2 /cordierite monolithic catalyst.The reaction performance of the oxidative coupling of methane （OCM） over the dual-bed reactor system was evaluated.The effects of the bed height and operation mode,as well as the reaction parameters such as reaction temperature,CH4/O2 ratio and flowrate of feed gas,on the catalytic performance were investigated.The results indicated that the suggested dual-bed reactor exhibited a good performance for the OCM reaction when the feed gases firstly passed through the particle catalyst bed and then to the monolithic catalyst bed.A CH4 conversion of 38.2% and a C2H4 selectivity of 43.3% could be obtained using the dual-bed reactor with a particle catalyst bed height of 10 mm and a monolithic catalyst bed height of 50 mm.Both the CH4 conversion and C2H4 selectivity have increased by 2.5% and 12.8%,respectively,as compared with the 5%Na2WO4-2%Mn/SiO2 particle catalyst in a conventional single-bed reactor and by 12.9% and 23.0%,respectively,as compared with the 4%Ce-5%Na2WO4-2%Mn/SiO2 /cordierite monolithic catalyst in a single-bed reactor.The catalytic performance of the OCM in the dual-bed reactor system has been improved remarkably.

Core and blanket thermal-hydraulic analysis of a molten salt fast reactor based on coupling of OpenMC and OpenFOAM

In the core of a molten salt fast reactor(MSFR),heavy metal fuel and fission products can be dissolved in a molten fluoride salt to form a eutectic mixture that acts as both fuel and coolant.Fission energy is released from the fuel salt and transferred to the second loop by fuel salt circulation.Therefore,the MSFR is characterized by strong interaction between the neutronics and the thermal hydraulics.Moreover,recirculation flow occurs,and nuclear heat is accumulated near the fertile blanket,which significantly affects both the flow and the temperature fields in the core.In this work,to further optimize the conceptual geometric design of the MSFR,three geometries of the core and fertile blanket are proposed,and the thermal-hydraulic characteristics,including the three-dimensional flow and temperature fields of the fuel and fertile salts,are simulated and analyzed using a coupling scheme between the open source codes OpenMC and OpenFOAM.The numerical results indicate that a flatter core temperature distribution can be obtained and the hot spot and flow stagnation zones that appear in the upper and lower parts of the core center near the reflector can be eliminated by curving both the top and bottom walls of the core.Moreover,eight cooling loops with a total flow rate of0.0555 m3 s-1 ensur an acceptable temperature distribusure an acceptable temperature distribution in the fertile blanket.

Experimental investigation of fluidized-bed reactor performance for oxidative coupling of methane

Performance of the oxidative coupling of methane in fluidized-bed reactor was experimentally investigated using Mn-Na2WO4/SiO2,La2O3/CaO and La2O3-SrO/CaO catalysts.These catalysts were found to be stable,especially Mn-Na2WO4/SiO2 catalyst.The effect of sodium content of this catalyst was analyzed and the challenge of catalyst agglomeration was addressed using proper catalyst composition of 2%Mn2.2%Na2WO4/SiO2.For other two catalysts,the effect of Lanthanum-Strontium content was analyzed and 10%La2O 3-20%SrO/CaO catalyst was found to provide higher ethylene yield than La2O3/CaO catalyst.Furthermore,the effect of operating parameters such as temperature and methane to oxygen ratio were also reviewed.The highest ethylene and ethane （C2） yield was achieved with the lowest methane to oxygen ratio around 2.40.5% selectivity to ethylene and ethane and 41% methane conversion were achieved over La2O3-SrO/CaO catalyst while over Mn-Na2WO4 /SiO2 catalyst,40% and 48% were recorded,respectively.Moreover,the consecutive effects of nitrogen dilution,ethylene to ethane production ratio and other performance indicators on the down-stream process units were qualitatively discussed and Mn-Na2WO4/SiO2 catalyst showed a better performance in the reactor and process scale analysis.

Coupling non-isothermal trickle-bed reactor with catalyst pellet models to understand the reaction and diffusion in gas oil hydrodesulfurization

In this work,a trickle-bed reactor coupled with catalyst pellet model is employed to understand the effects of the temperature and catalyst pellet structures on the reaction-diffusion behaviors in gas oil hydrodesulfurization(HDS).The non-isothermal reactor model is determined to be reasonable due to non-negligible temperature variation caused by the reaction heat.The reaction rate along the reactor is mainly dominated by the temperature,and the sulfur concentration gradient in the catalyst pellet decreases gradually along the reactor,leading to the increased internal effectiveness factor.For the fixed catalyst bed volume,there exists a compromise between the catalyst reaction rate and effectiveness factor.Under commonly studied catalyst pellet size of 0.8-3 mm and porosity of 0.4-0.8,an optimization of the temperature and catalyst pellet structures is carried out,and the optimized outlet sulfur content decreases to 7.6 wppm better than the commercial level at 0.96 mm of the catalyst pellet size and 0.40 of the catalyst porosity.

Development and application of a multi-physics and multi-scale coupling program for lead-cooled fast reactor

In this study,a multi-physics and multi-scale coupling program,Fluent/KMC-sub/NDK,was developed based on the user-defined functions(UDF)of Fluent,in which the KMC-sub-code is a sub-channel thermal-hydraulic code and the NDK code is a neutron diffusion code.The coupling program framework adopts the"master-slave"mode,in which Fluent is the master program while NDK and KMC-sub are coupled internally and compiled into the dynamic link library(DLL)as slave codes.The domain decomposition method was adopted,in which the reactor core was simulated by NDK and KMC-sub,while the rest of the primary loop was simulated using Fluent.A simulation of the reactor shutdown process of M2LFR-1000 was carried out using the coupling program,and the code-to-code verification was performed with ATHLET,demonstrating a good agreement,with absolute deviation was smaller than 0.2%.The results show an obvious thermal stratification phenomenon during the shutdown process,which occurs 10 s after shutdown,and the change in thermal stratification phenomena is also captured by the coupling program.At the same time,the change in the neutron flux density distribution of the reactor was also obtained.

Modeling of mass transfer characteristics of bubble column reactor with surfactant present

Danckwert's method was used to determine the specific interfacial area, a, and the individual mass transfer coefficient, κL, during absorption of CO2 in a bubble column with an anionic surfactant in the carbonate-bicarbonate buffer solution and NaAsO2 as catalyst, the presence of which decreases the specific interracial area and the individual mass transfer coefficient. The specific interfacial area and the individual mass transfer coefficient increase with increasing superficial gas velocity. The specific interfacial area decreases whereas the individual mass transfer coefficient increases with increasing temperature. The results of experiments were used to determine the dependence of a, κL, and κLa on the surface tension, the temperature of the absorption phase, and the superficial velocity of the gas. The calculated results from the correlation were found to be within 10% deviation from the actual experimental results.

Production of iturin A through glass column reactor (GCR) from soybean curd residue (okara) by <i>Bacillus subtilis</i>RB14-CS under solid state fermentation (SSF)

The present study was conducted with an aim to scale up the production of iturin A using soybean curd residue (okara). Iturin A was produced by indigenous bacterial strain Bacillus subtilis RB14-CS through glass column reactor (GCR) under solid state fermentation (SSF) was characterized. The enhanced iturin A production was observed with respect to enhanced substrate bed height when SSF was conducted in Erlenmeyer flask. To check the effect of substrate bed height on iturin A production under SSF of okara, GCR was introduced. Substrate bed height of 15 cm was suitable for iturin A production which was about 2700 mg/kg wet substrate. The observed iturin A production by the aerobic bacteria Bacillus subtilis in nearly anaerobic condition in such high substrate bed for SSF is a wonderful finding for development of SSF system in future.