scholarly journals Dehydration of 2,3-Butanediol to 1,3-Butadiene and Methyl Ethyl Ketone: Modeling, Numerical Analysis and Validation Using Pilot-Scale Reactor Data

Catalysts ◽  
2021 ◽  
Vol 11 (8) ◽  
pp. 999
Author(s):  
Daesung Song ◽  
Sung-Yong Cho ◽  
Toan-Thang Vu ◽  
Hoang-Phi-Yen Duong ◽  
Eunkyu Kim
Keyword(s):  
Numerical Analysis ◽  
Fixed Bed ◽  
Pilot Scale ◽  
Fixed Bed Reactor ◽  
Sensitivity Analyses ◽  
Inlet Temperature ◽  
Reactor Model ◽  
Feed Composition ◽  
Efficient Operation ◽  
Operation Conditions

This work presents the numerical analysis and validation of a fixed bed reactor model for 2,3-butanediol (2,3-BDO) dehydration. The 1D heterogeneous reactor model considering interfacial and intra-particle gradients, was simulated and numerical analysis of the model was conducted to understand the characteristics of the reactions in a catalyst along the reactor length. The model was also validated by comparing predicted performance data with pilot-scale plant data operated at 0.2 bar, 299–343 °C and 0.48–2.02 h−1 of weight hourly space velocity (WHSV). The model showed good agreement with the temperature profile, 2,3-BDO conversion and selectivity of target products. In addition, sensitivity analyses of the model were investigated by changing feed flow rate, feed composition, and inlet temperature. It was found that stable and efficient operation conditions are lower than 0.65 h−1 of WHSV and 330–340 °C of inlet temperature. Additionally, the reactor performance was not affected by 2,3-BDO feed concentration above 70%.

scholarly journals Simulation and optimization of coupling reaction of methanol synthesis and isopropyl alcohol dehydrogenation

2018 ◽  
Vol 10 (3) ◽  
pp. 127
Author(s):  
Jenny Rizkiana ◽  
Yogi Wibisono Budhi ◽  
Azis Trianto
Keyword(s):  
Methanol Synthesis ◽  
Isopropyl Alcohol ◽  
Fixed Bed ◽  
Coupling Reaction ◽  
Fixed Bed Reactor ◽  
Inlet Temperature ◽  
Simulation And Optimization ◽  
Optimum Operation ◽  
Operation Conditions ◽  
Reaction Conversion

A study on simulation and optimization of coupling reaction between methanol synthesis and isopropyl alcohol (IPA) dehydrogenation was performed. The analysis is carried out theoretically to obtain the optimum operation conditions which give the best performance. The reactions are just interacting thermally. In this study, both reactions are held catalytically in a heat-exchanger type reactor. As a high pressure reaction, methanol synthesis is placed in the inner side of reactor tube while dehydrogenation of IPA is in the opposite. Tube wall acts as a heat transfer media. The reactor is modeled by a steady state heterogeneous equation for a fixed bed reactor. Optimization is done in order to find the optimum value of operation conditions, those are the inlet temperature of both side of reactor and the molar feed flow ratio between the exothermic side and the endothermic side. Sum of weighted reaction conversion is considered to be the objective function that is maximized. The simulation result shows that coupled reactor makes the reaction conversion higher than a conventional adiabatic reactor and the optimum operation conditions give the maximum value of the conversion. This study presents a theoretical proof that coupling reaction is feasible. Keywords: coupling reaction, IPA dehydrogenation, methanol synthesis, optimization, simulated annealingAbstrak Telaah mengenai simulasi dan optimisasi reaksi perangkaian (coupling reaction) antara sintesis metanol dengan dehidrogenasi isopropil alkohol (IPA) telah dilakukan. Analisis dilaksanakan secara teoretik guna mendapatkan kondisi optimum yang akan memberikan hasil terbaik. Pada penelitian ini, kedua reaksi dilaksanakan secara katalitik dalam reaktor bertipe buluh-cangkang. Karena bertekanan tinggi, sintesis metanol ditempatkan pada sisi buluh, sedangkan dehidrogenasi IPA ditempatkan pada sisi cangkang. Dinding buluh berperan sebagai media perpindahan panas. Reaktor dimodelkan dengan reaktor heterogen tunak unggun tetap. Optimisasi dilakukan dalam rangka mendapatkan nilai optimum dari kondisi operasi yang mencakup temperatur inlet sisi eksotermik dan endotermik serta rasio umpan molarnya. Jumlah total konversi reaksi terbobotkan dipilih sebagai nilai objectif yang akan dioptimumkan. Hasil simulasi menunjukkan bahwa reaktor perangkaian termal mampu meningkatkan konversi reaksi jika dibandingkan dengan reaktor adiabatik dan pada kondisi operasi yang optimum diperoleh konversi maksimal. Penelitian ini menunjukkan bahwa reaksi perangkaian layak untuk dilaksanakan.Kata kunci: reaksi perangkaian, dehidrogenasi IPA, sintesis methanol, optimisasi, simulated annealing

scholarly journals Validation of a Fixed Bed Reactor Model for Dimethyl Ether Synthesis Using Pilot-Scale Plant Data

Catalysts ◽  
2021 ◽  
Vol 11 (12) ◽  
pp. 1522
Author(s):  
Daesung Song ◽  
Sung Yong Cho ◽  
Thang Toan Vu ◽  
Yen Hoang Phi Duong ◽  
Eunkyu Kim
Keyword(s):  
Dimethyl Ether ◽  
Fixed Bed ◽  
Pilot Scale ◽  
Fixed Bed Reactor ◽  
Average Error ◽  
Reactor Model ◽  
Feed Pressure ◽  
Co Conversion ◽  
Dimethyl Ether Synthesis ◽  
The One

The one-dimensional (1D) mathematical model of fixed bed reactor was developed for dimethyl ether (DME) synthesis at pilot-scale (capacity: 25–28 Nm3/h of syngas). The reaction rate, heat, and mass transfer equations were correlated with the effectiveness factor. The simulation results, including the temperature profile, CO conversion, DME selectivity, and DME yield of the outlet, were validated with experimental data. The average error ratios were below 9.3%, 8.1%, 7.8%, and 3.5% for the temperature of the reactor, CO conversion, DME selectivity, and DME yield, respectively. The sensitivity analysis of flow rate, feed pressure, H2:CO ratio, and CO2 mole fraction was investigated to demonstrate the applicability of this model.

HAZOP study of a fixed bed reactor for MTBE synthesis using a dynamic approach

2008 ◽  
Vol 62 (1) ◽  
Author(s):  
Juraj Labovský ◽  
Zuzana Švandová ◽  
Jozef Markoš ◽  
L’udovít Jelemenský
Keyword(s):  
Steady State ◽  
Dynamic Simulation ◽  
Fixed Bed ◽  
Fixed Bed Reactor ◽  
Inlet Temperature ◽  
Potential Hazard ◽  
Process Unit ◽  
Feed Composition ◽  
Tertiary Butyl ◽  
Wide Range

AbstractA methodology for hazard investigation based on the integration of a mathematical model approach into hazard and operability analysis is presented. This approach is based on mathematical modelling of a process unit where both steady-state analysis, including analysis of the steady states multiplicity and stability, and dynamic simulation are used. The dynamic simulation serves for the investigation of consequences of failures of the main controlled parameters, i.e. inlet temperature, feed temperature and feed composition. This simulation is also very useful for the determination of the influence of failure duration on the reactor behaviour. On the other hand, the steady state simulation can predict the reactor behaviour in a wide range of failure magnitude and determine the parametric zones, where shifting from one steady state to another one may occur. A fixed bed reactor for methyl tertiary-butyl ether synthesis was chosen to identify potential hazard and operational problems of a real process.

Numerical Analysis of a Pilot-Scale Fixed-Bed Reactor for Dimethyl Ether (DME) Synthesis

2008 ◽  
Vol 47 (13) ◽  
pp. 4553-4559 ◽  
Author(s):  
Daesung Song ◽  
Wonjun Cho ◽  
Gibaek Lee ◽  
Dal Keun Park ◽  
En Sup Yoon
Keyword(s):  
Numerical Analysis ◽  
Dimethyl Ether ◽  
Fixed Bed ◽  
Pilot Scale ◽  
Fixed Bed Reactor ◽  
Dme Synthesis

Application of Biofilm Kinetics to Anaerobic Fixed Bed Reactors

1991 ◽  
Vol 23 (7-9) ◽  
pp. 1319-1326 ◽  
Author(s):  
I. E. Gönenç ◽  
D. Orhon ◽  
B. Beler Baykal
Keyword(s):  
Removal Rate ◽  
Fixed Bed ◽  
Experimental Studies ◽  
Pilot Scale ◽  
Cod Removal ◽  
Experimental Results ◽  
Fixed Bed Reactor ◽  
Removal Mechanism ◽  
Term Operation ◽  
Fixed Bed Reactors

Two basic phenomena, reactor hydraulics and mass transport through biofilm coupled with kinetic expressions for substrate transformations were accounted for in order to describe the soluble COD removal mechanism in anaerobic fixed bed reactors. To provide necessary verification, experimental results from the long term operation of the pilot scale anaerobic reactor treating molasses wastewater were used. Theoretical evaluations verified by these experimental studies showed that a bulk zero-order removal rate expression modified by diffusional resistance leading to bulk half-order and first-order rates together with the particular hydraulic conditions could adequately define the overall soluble COD removal mechanism in an anaerobic fixed bed reactor. The experimental results were also used to determine the kinetic constants for practical application. In view of the complexity of the phenomena involved it is found remarkable that a simple simulation model based on biofilm kinetics is a powerful tool for design and operation of anaerobic fixed bed reactors.

scholarly journals Evaluation of Fixed-Bed Cultures with Immobilized Lactococcus Lactis ssp. Lactis on Different Scales

2017 ◽  
Vol 11 (1) ◽  
pp. 16-25 ◽  
Author(s):  
Rebecca Faschian ◽  
Ilyas Eren ◽  
Steven Minden ◽  
Ralf Pörtner
Keyword(s):  
Dilution Rate ◽  
Lactococcus Lactis ◽  
Scale Up ◽  
Fixed Bed ◽  
Pilot Scale ◽  
Fixed Bed Reactor ◽  
Batch Mode ◽  
Promising Alternative ◽  
Fixed Beds ◽  
Pilot Scale Reactor

Fixed-bed processes, where cells are immobilized within macroporous carriers, are a promising alternative to processes with suspended cells. A scale-up concept is presented in order to evaluate the performance as part of process design of fixed-bed processes. Therefore,Lactococcus lactiscultivation in chemostat and batch mode was compared to fixed bed cultures on three different scales, the smallest being the downscaledMultifermwith 10 mL fixed bed units, the second a 100 mL fixed-bed reactor and the third a pilot scale reactor with 1 L fixed bed volume. As expected, the volume specific lactate productivity of all cultivations was dependent on dilution rate. In suspension chemostat culture a maximum of 2.3 g·L-1·h-1was reached. Due to cell retention in the fixed-beds, productivity increased up to 8.29 g·L-1·h-1at a dilution rate of D = 1.16 h-1(corresponding to 2.4·µmax) on pilot scale. For all fixed bed cultures a common spline was obtained indicating a good scale-up performance.

scholarly journals Simulation of CO2 Conversion into Methanol in Fixed-bed Reactors: Comparison of Isothermal and Adiabatic Configurations

REAKTOR ◽  
2019 ◽  
Vol 19 (3) ◽  
pp. 131-135
Author(s):  
Fadilla Noor Rahma
Keyword(s):  
Fixed Bed ◽  
Value Added ◽  
Fixed Bed Reactor ◽  
Inlet Temperature ◽  
Methanol Production ◽  
Greenhouse Gases Emissions ◽  
Fixed Bed Reactors ◽  
Adiabatic Reactor ◽  
Co2 Conversion Into Methanol ◽  
Feed Inlet

CO2 capture and utilization (CCU) has been widely considered as a potential solution to overcome global warming. Conversion of CO2 into methanol is an interesting option to transform waste into value-added chemical while also reducing greenhouse gases emissions in the atmosphere. In this paper, utilization of CO2 into methanol was simulated using Aspen Plus software. The reaction between CO2 and H2 to produce methanol and water was carried out in a simulated fixed-bed reactor with Cu/ZnO/Al2O3 commercial catalyst, following LHHW (Langmuir – Hinshelwood – Hougen – Watson) kinetic model. Isothermal and adiabatic reactor configurations were compared under similar feed conditions and the concentration profile along the reactor was observed. The result showed that isothermal configuration converted 3.23% more CO2 and provided 16.34% higher methanol yield compared to the adiabatic reactor. Feed inlet temperature variation was applied and the effect to methanol production on both configurations was studied. The highest methanol yield for adiabatic and isothermal reactor was obtained at 200 oC and 240 oC respectively.

scholarly journals Pengaruh kondisi operasi pada kinerja reaksi dekomposisi katalitik metana dalam reaktor gauze

2018 ◽  
Vol 9 (2) ◽  
pp. 69
Author(s):  
Widodo W Purwanto ◽  
Yuswan Muharam ◽  
Dwi Yulianti
Keyword(s):  
Stainless Steel ◽  
Methane Conversion ◽  
Sol Gel ◽  
Fixed Bed ◽  
Dip Coating ◽  
Space Time ◽  
Methane Decomposition ◽  
Fixed Bed Reactor ◽  
Feed Ratio ◽  
Operation Conditions

Methane decomposition is an alternative way to produce high quality carbon nanotubes (CNTs) and hydrogen simultaneously. The use of gauze reactor for methane decomposition had proven in solving pressure drop problem in fixed bed reactor. This experiment was carried out to study the effects of operation conditions (space time, temperature, and feed ratio) to gauze rector performance. Ni-Cu-Al catalyst which is prepared by sol-gel method with atomic ratio 2:1:1, was coated to Stainless Steel gauze by dip coating method. The reaction was done by flowing methane into the reactor at atmospheric pressure and varying space time (0.0006; 0.0032; 0.006 g×kat×min/mL), temperature (700, 750, and 800°C), and feed ratio CH4:H2 (1:0, 4:1, 1:1). An online gas chromatograph is used to detect the gas products. Reactor performances were observed from methane conversion, hydrogen purity, carbon yield and quality of nanocarbon that have been produced. Experiment result showed that the highest reactor performance (except nanocarbon quality) occurred at space time 0.006 gr cat min/mL, temperature 700 °C, and with pure methane as feed which give methane conversion, hydrogen purity, and yield carbon results are 90.66%, 90.16%, and 37 g carbon/g catalyt, respectively. Based on SEM analysis indicated that the best nanocarbon morphology can be gained at CH4:H2 ratio of 1:1.Keyword : methane decompotition, gauze reactor, carbon nanotube Abstrak Dekomposisi katalitik metana adalah salah satu alternatif untuk memproduksi hidrogen dan nanokarbon bermutu tinggi secara simultan. Penggunaan reaktor gauze untuk dekomposisi metana terbukti dapat mengatasi permasalahan penyumbatan pada reaktor unggun diam. Penelitian ini dilakukan untuk mengetahui pengaruh kondisi operasi (space time, temperatur, dan rasio umpan) terhadap kinerja reaktor gauze. Katalis Ni-Cu-Al disiapkan dengan menggunakan metode sol-gel dengan perbandingan atomik 2:1:1 dilapiskan pada gauze Stainless Steel dengan metode dip-coating. Reaksi dilakukan dengan mengalirkan metana ke dalam reaktor pada tekanan atmosferik dan dengan memvariasikan space time (0,0006; 0,0032; 0,006 g×kat×min/mL), temperatur (700, 750, dan 800 °C), dan rasio umpan CH4:H2 (1:0, 4:1, 1:1). Produk gas dianalisis dengan menggunakan gas chromatography yang terpasang secara online. Kinerja reaktor pada penelitian ini ditinjau dari konversi metana, kemurnian hidrogen, perolehan dan kualitas nanokarbon yang dihasilkan. Berdasarkan hasil eksperimen diketahui bahwa kinerja reaktor paling tinggi (kecuali kualitas nanokarbon) terjadi pada space time 0,006 g×kat×min/mL, temperatur 700 °C, dan dengan menggunakan metana murni yang memberikan hasil konversi metana, kemurnian hidrogen, serta perolehan karbon secara berturut-turut 90,66%, 90,16%, dan 37 gram karbon/gram katalis. Hasil analisis menggunakan SEM menunjukkan bahwa morfologi nanokarbon paling baik didapat pada komposisi reaktan CH4: H2 = 1:1.Kata Kunci : dekomposisi metana, reaktor gauze, karbon nanotube

scholarly journals Dynamic Simulation of Adiabatic Catalytic Fixed-Bed Tubular Reactors: A Simple Approximate Modeling Approach

2014 ◽  
Vol 14 (1) ◽  
pp. 25
Author(s):  
Wiwut Tanthapanichakoon ◽  
Shinichi Koda ◽  
Burin Khemthong
Keyword(s):  
Dynamic Model ◽  
Dynamic Behavior ◽  
Dynamic Simulation ◽  
Flow Rate ◽  
Fixed Bed ◽  
Axial Dispersion ◽  
Fixed Bed Reactor ◽  
Inlet Temperature ◽  
Acetylene Hydrogenation ◽  
Tubular Reactors

Fixed-bed tubular reactors are used widely in chemical process industries, for example, selective hydrogenation of acetylene to ethylene in a naphtha cracking plant. A dynamic model is required when the effect of large fluctuations with time in influent stream (temperature, pressure, flow rate, and/or composition) on the reactor performance is to be investigated or automatically controlled. To predict approximate dynamic behavior of adiabatic selective acetylene hydrogenation reactors, we proposed a simple 1-dimensional model based on residence time distribution (RTD) effect to represent the cases of plug flow without/with axial dispersion. By modeling the nonideal flow regimes as a number of CSTRs (completely stirred tank reactors) in series to give not only equivalent RTD effect but also theoretically the same dynamic behavior in the case of isothermal first-order reactions, the obtained simple dynamic model consists of a set of nonlinear ODEs (ordinary differential equations), which can simultaneously be integrated using Excel VBA (Visual BASIC Applications) and 4th-order Runge-Kutta algorithm. The effects of reactor inlet temperature, axial dispersion, and flow rate deviation on the dynamic behavior of the system were investigated. In addition, comparison of the simulated effects of flow rate deviation was made between two industrial-size reactors.Keywords: Dynamic simulation, 1-D model, Adiabatic reactor, Acetylene hydrogenation, Fixed-bed reactor, Axial dispersion effect

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