scholarly journals First-Principles-Based Simulation of an Industrial Ethanol Dehydration Reactor

Catalysts ◽  
2019 ◽  
Vol 9 (11) ◽  
pp. 921
Author(s):  
Van der Borght ◽  
Alexopoulos ◽  
Toch ◽  
Thybaut ◽  
Marin ◽  
...  

The achievement of new economically viable chemical processes often involves the translation of observed lab-scale phenomena into performance in an industrial reactor. In this work, the in silico design and optimization of an industrial ethanol dehydration reactor were performed, employing a multiscale model ranging from nano-, over micro-, to macroscale. The intrinsic kinetics of the elementary steps was quantified through ab initio obtained rate and equilibrium coefficients. Heat and mass transfer limitations for the industrial design case were assessed via literature correlations. The industrial reactor model developed indicated that it is not beneficial to utilize feeds with high ethanol content, as they result in lower ethanol conversion and ethene yield. Furthermore, a more pronounced temperature drop over the reactor was simulated. It is preferred to use a more H2O-diluted feed for the operation of an industrial ethanol dehydration reactor.

2014 ◽  
Vol 57 (17-20) ◽  
pp. 1407-1411 ◽  
Author(s):  
Qing Pan ◽  
Anand Ramanathan ◽  
W. Kirk Snavely ◽  
Raghunath V. Chaudhari ◽  
Bala Subramaniam

Author(s):  
Zhiyuan Chen ◽  
Christiaan Zeilstra ◽  
Jan van der Stel ◽  
Jilt Sietsma ◽  
Yongxiang Yang

AbstractIn order to understand the pre-reduction behaviour of fine hematite particles in the HIsarna process, change of morphology, phase and crystallography during the reduction were investigated in the high temperature drop tube furnace. Polycrystalline magnetite shell formed within 200 ms during the reduction. The grain size of the magnetite is in the order of magnitude of 10 µm. Lath magnetite was observed in the partly reduced samples. The grain boundary of magnetite was reduced to molten FeO firstly, and then the particle turned to be a droplet. The Johnson-Mehl-Avrami-Kolmogorov model is proposed to describe the kinetics of the reduction process. Both bulk and surface nucleation occurred during the reduction, which leads to the effect of size on the reduction rate in the nucleation and growth process. As a result, the reduction rate constant of hematite particles increases with the increasing particle size until 85 µm. It then decreases with a reciprocal relationship of the particle size above 85 µm.


2021 ◽  
Vol 13 (8) ◽  
pp. 4246
Author(s):  
Shih-Wei Yen ◽  
Wei-Hsin Chen ◽  
Jo-Shu Chang ◽  
Chun-Fong Eng ◽  
Salman Raza Naqvi ◽  
...  

This study investigated the kinetics of isothermal torrefaction of sorghum distilled residue (SDR), the main byproduct of the sorghum liquor-making process. The samples chosen were torrefied isothermally at five different temperatures under a nitrogen atmosphere in a thermogravimetric analyzer. Afterward, two different kinetic methods, the traditional model-free approach, and a two-step parallel reaction (TPR) kinetic model, were used to obtain the torrefaction kinetics of SDR. With the acquired 92–97% fit quality, which is the degree of similarity between calculated and real torrefaction curves, the traditional method approached using the Arrhenius equation showed a poor ability on kinetics prediction, whereas the TPR kinetic model optimized by the particle swarm optimization (PSO) algorithm showed that all the fit qualities are as high as 99%. The results suggest that PSO can simulate the actual torrefaction kinetics more accurately than the traditional kinetics approach. Moreover, the PSO method can be further employed for simulating the weight changes of reaction intermediates throughout the process. This computational method could be used as a powerful tool for industrial design and optimization in the biochar manufacturing process.


Catalysts ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 412
Author(s):  
Mirosław K. Szukiewicz ◽  
Krzysztof Kaczmarski

A dynamic model of the hydrogenation of benzene to cyclohexane reaction in a real-life industrial reactor is elaborated. Transformations of the model leading to satisfactory results are presented and discussed. Operating conditions accepted in the simulations are identical to those observed in the chemical plant. Under those conditions, some components of the reaction mixture vanish, and the diffusion coefficients of the components vary along the reactor (they are strongly concentration-dependent). We came up with a final reactor model predicting with reasonable accuracy the reaction mixture’s outlet composition and temperature profile throughout the process. Additionally, the model enables the anticipation of catalyst activity and the remaining deactivated catalyst lifetime. Conclusions concerning reactor operation conditions resulting from the simulations are presented as well. Since the model provides deep insight into the process of simulating, it allows us to make knowledge-based decisions. It should be pointed out that improvements in the process run, related to operating conditions, or catalyst application, or both on account of the high scale of the process and its expected growth, will remarkably influence both the profits and environmental protection.


2021 ◽  
Vol 10 (4) ◽  
pp. 75-79
Author(s):  
Loc Bui Tan ◽  
Tu Le Nguyen Quang ◽  
Long Nguyen Quang

The catalytic dehydration of ethanol is a potential alternative route to synthesize ethylene apart from the traditional method which depends on fossil fuels. This report successfully prepared modified ZSM-5 with mesopores using desilication methods to enhance ethanol catalytic dehydration performance and ethylene production at lower temperature. The modified zeolite have the external surface area increased by 3.5 times and a higher dehydration efficiency compared with the original sample especially at temperatures below 220°C. Increasing reaction temperatures and gas houly space velocity (GHSV) increased the dehydration efficiency while increasing the inlet ethanol concentration had opposite effect. Significantly, the ethanol conversion over modified zeolite remained above 90 % when the GHSV increased to 36000 h‑1 after the time-on-stream of 24 h.


2012 ◽  
Vol 39 (4) ◽  
pp. 1711-1726 ◽  
Author(s):  
Qijin Geng ◽  
Qingming Wang ◽  
Yunchen Zhang ◽  
Lintong Wang ◽  
Huiqin Wang

2018 ◽  
Vol 238 ◽  
pp. 184-197 ◽  
Author(s):  
Florent Minette ◽  
Michael Lugo-Pimentel ◽  
Dean Modroukas ◽  
Andrew W. Davis ◽  
Rajinder Gill ◽  
...  

Sign in / Sign up

Export Citation Format

Share Document