scholarly journals An Experimental Approach on Industrial Pd-Ag Supported α-Al2O3 Catalyst Used in Acetylene Hydrogenation Process: Mechanism, Kinetic and Catalyst Decay

Processes ◽  
2019 ◽  
Vol 7 (3) ◽  
pp. 136
Author(s):  
Ourmazd Dehghani ◽  
Mohammad Rahimpour ◽  
Alireza Shariati
Keyword(s):  
Kinetic Model ◽  
Experimental Approach ◽  
Catalyst Deactivation ◽  
Catalyst Activity ◽  
Hydrogenation Process ◽  
Support Surface ◽  
Acetylene Hydrogenation ◽  
Wide Range ◽  
Α Al2o3 ◽  
Al2o3 Catalyst

The current research presents an experimental approach on the mechanism, kinetic and decay of industrial Pd-Ag supported α-Al2O3 catalyst used in the acetylene hydrogenation process. In the first step, the fresh and deactivated hydrogenation catalysts are characterized by XRD, BET (Brunauer–Emmett–Teller), SEM, TEM, and DTG analyses. The XRD results show that the dispersed palladium particles on the support surface experience an agglomeration during the reaction run time and mean particle size approaches from 6.2 nm to 11.5 nm. In the second step, the performance of Pd-Ag supported α-Al2O3 catalyst is investigated in a differential reactor in a wide range of hydrogen to acetylene ratio, temperature, gas hourly space velocity and pressure. The full factorial design method is used to determine the experiments. Based on the experimental results ethylene, ethane, butene, and 1,3-butadiene are produced through the acetylene hydrogenation. In the third step, a detailed reaction network is proposed based on the measured compounds in the product and the corresponding kinetic model is developed, based on the Langmuir-Hinshelwood-Hougen-Watson approach. The coefficients of the proposed kinetic model are calculated based on experimental data. Finally, based on the developed kinetic model and plant data, a decay model is proposed to predict catalyst activity and the parameters of the activity model are calculated. The results show that the coke build-up and condensation of heavy compounds on the surface cause catalyst deactivation at low temperature.

A novel configuration for Pd/Ag/α-Al2O3 catalyst regeneration in the acetylene hydrogenation reactor of a multi feed cracker

2012 ◽  
Vol 198-199 ◽  
pp. 491-502 ◽  
Author(s):  
M.R. Rahimpour ◽  
O. Dehghani ◽  
M.R. Gholipour ◽  
M.S. Shokrollahi Yancheshmeh ◽  
S. Seifzadeh Haghighi ◽  
...  
Keyword(s):  
Catalyst Regeneration ◽  
Acetylene Hydrogenation ◽  
Α Al2o3 ◽  
Hydrogenation Reactor ◽  
Al2o3 Catalyst

Kinetic model of K–Ni/α-Al2O3 catalyst for oxidative reforming of methane determined by genetic algorithm

2012 ◽  
Vol 425-426 ◽  
pp. 170-177 ◽  
Author(s):  
Kohji Omata ◽  
Seishiro Kobayashi ◽  
Junpei Horiguchi ◽  
Yasukazu Kobayashi ◽  
Yuichiro Yamazaki ◽  
...  
Keyword(s):  
Genetic Algorithm ◽  
Kinetic Model ◽  
Oxidative Reforming ◽  
Α Al2o3 ◽  
Al2o3 Catalyst

scholarly journals CO2 Self-Poisoning and Its Mitigation in CuO Catalyzed CO Oxidation: Determining and Speeding up the Rate-Determining Step

Catalysts ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 654
Author(s):  
Kai Cheng ◽  
Songjian Zhao ◽  
Jiazheng Ren ◽  
Haoran Li ◽  
Yongsheng Chen
Keyword(s):  
Co Oxidation ◽  
Catalyst Deactivation ◽  
Co2 Adsorption ◽  
Catalyst Activity ◽  
Major Barrier ◽  
Rate Determining Step ◽  
Co2 Desorption ◽  
Co Conversion ◽  
Speed Up ◽  
Al2o3 Catalyst

Cu-based catalysts are promising for CO oxidation applications with catalyst deactivation being a major barrier. We start with a CuO/Al2O3 catalyst and find that while the CO conversion decreases, CO2 accumulates and the average Cu chemical state stays the same. It suggests CO2 self-poisoning, i.e., CO2 desorption is the rate-determining step. Subsequently, experiments are performed to prove this hypothesis by showing (1) CO2 adsorption inhibits O2 adsorption, (2) complete desorption of CO2 regenerate the catalyst, (3) pre-adsorbed CO2 quenches catalyst activity which recovers during the reaction and (4) the apparent activation energy is consistent with CO2 desorption. It is further evidenced by using a stronger CO2 adsorbing support CeO2 to speed up CO2 desorption from the CuO sites resulting in a superior CuO/CeO2 catalyst. It provides an example for experimentally deciding and speeding up the rate-determining step in a catalytic reaction.

Development of a Kinetic Model for Modeling the Industrial VGO Hydrocracker Accompanied By Deactivation

2010 ◽  
Vol 8 (1) ◽  
Author(s):  
Azita Barkhordari ◽  
Shohreh Fatemi ◽  
Mahdi Daneshpayeh ◽  
Hossain Zamani
Keyword(s):  
Experimental Data ◽  
Kinetic Model ◽  
Catalyst Deactivation ◽  
Fixed Bed ◽  
Pilot Scale ◽  
Operating Conditions ◽  
Fixed Bed Reactor ◽  
Wide Range ◽  
Silica Alumina ◽  
Parallel Reactions

Two types of kinetic modeling, continuous and discrete lump model were studied and compared in this research in order to model the industrial scale VGO hydrocracking process. The experimental data obtained from a pilot-scale fixed bed reactor over Ni-Mo/Silica-Alumina catalyst in a wide range of operating conditions was used for prediction and tuning the kinetic parameters using Genetic algorithm. In this study, the discrete lump model with four parallel reactions to four lumped products showed more convergence to the experimental data than the continuous lump model. Afterward, the discrete kinetic model was used to simulate the vacuum gas oil (VGO) industrial hydrocracking reaction accompanied by catalyst deactivation. The activity of the catalyst was taken as a time dependent variable and the first year of operational data were used to derive the deactivation parameter. The refinery test runs spanning over the last two and half years of operation were used to validate the model and interpret the simulation results. A comparison between the industrial and the predicted data showed that there is a good agreement between them and the presented model provides a reasonable fit to estimate the product yields of LPG, naphtha, kerosene, diesel.

scholarly journals Glycerol Hydrogenolysis with In Situ Hydrogen Produced via Methanol Steam Reforming: The Promoting Effect of Pd on a Cu/ZnO/Al2O3 Catalyst

Catalysts ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 110
Author(s):  
Yuanqing Liu ◽  
Chau T. Q. Mai ◽  
Flora T. T. Ng
Keyword(s):  
Steam Reforming ◽  
Catalyst Activity ◽  
Promoting Effect ◽  
Glycerol Conversion ◽  
Glycerol Hydrogenolysis ◽  
Glycerol Dehydration ◽  
Effect Of Pd ◽  
Al2o3 Catalyst ◽  
Reaction Equilibrium

The glycerol hydrogenolysis to produce 1,2-propanediol without using externally supplied hydrogen was investigated using methanol present in crude glycerol to provide in situ hydrogen via its steam reforming reaction. This paper focuses on the promoting effect of Pd on the reactivity of a Cu/Zn/Al2O3 catalyst. Adding 2 wt% Pd onto a Cu/ZnO/Al2O3 catalyst significantly improved the selectivity to 1,2-propanediol from 63.0% to 82.4% and the glycerol conversion from 70.2% to 99.4%. This enhancement on the catalytic activity by Pd is mainly due to the improved hydrogenation of acetol, which is the intermediate formed during the glycerol dehydration. The rapid hydrogenation of acetol can shift the reaction equilibrium of glycerol dehydration forward resulting in a higher glycerol conversion. The improved reducibility of the catalyst by Pd allows the catalyst to be reduced in situ during the reaction preventing any loss of catalyst activity due to any potential oxidation of the catalyst. The catalyst was slightly deactivated when it was firstly recycled resulting in a 5.4% loss of glycerol conversion due to the aggregation of Cu and the deactivation became less noticeable upon further recycling.

scholarly journals Prediction of Experimental Electromagnetic Coupling to a UAV Model Using Characteristic Mode Analysis

2021 ◽  
Author(s):  
Mohamed Hamdalla ◽  
Benjamin Bissen ◽  
James D. Hunter ◽  
Liu Yuanzhuo ◽  
Victor Khilkevich ◽  
...  
Keyword(s):  
Experimental Measurement ◽  
Experimental Approach ◽  
Electromagnetic Coupling ◽  
Mode Analysis ◽  
Angle Of Incidence ◽  
Characteristic Mode ◽  
System A ◽  
Wide Range ◽  
Aerial Vehicle ◽  
Excitation Conditions

<p>In this work, we study the current coupled to a simplified Unmanned Aerial Vehicle (UAV) model using a dual computational and experimental approach. The surrogate structure reduced the computational burden and facilitated the experimental measurement of the coupled currents. For a practical system, a wide range of simulations and measurements must be performed to analyze the induced current variations with respect to the incident excitation properties such as the frequency, angle of incidence, and polarization. To simplify this analysis, Characteristic Mode Analysis (CMA) was used to compute the eigen-currents of the UAV model and predict where and under which RF excitation conditions, the coupled current is maximized. We verified these predictions using direct experimental measurement of the coupled currents. The presented simulations and measurements show the usefulness of CMA for studying electromagnetic coupling to practical systems. </p>

scholarly journals Prediction of Experimental Electromagnetic Coupling to a UAV Model Using Characteristic Mode Analysis

2021 ◽  
Author(s):  
Mohamed Hamdalla ◽  
Benjamin Bissen ◽  
James D. Hunter ◽  
Liu Yuanzhuo ◽  
Victor Khilkevich ◽  
...  
Keyword(s):  
Experimental Measurement ◽  
Experimental Approach ◽  
Electromagnetic Coupling ◽  
Mode Analysis ◽  
Angle Of Incidence ◽  
Characteristic Mode ◽  
System A ◽  
Wide Range ◽  
Aerial Vehicle ◽  
Excitation Conditions

<p>In this work, we study the current coupled to a simplified Unmanned Aerial Vehicle (UAV) model using a dual computational and experimental approach. The surrogate structure reduced the computational burden and facilitated the experimental measurement of the coupled currents. For a practical system, a wide range of simulations and measurements must be performed to analyze the induced current variations with respect to the incident excitation properties such as the frequency, angle of incidence, and polarization. To simplify this analysis, Characteristic Mode Analysis (CMA) was used to compute the eigen-currents of the UAV model and predict where and under which RF excitation conditions, the coupled current is maximized. We verified these predictions using direct experimental measurement of the coupled currents. The presented simulations and measurements show the usefulness of CMA for studying electromagnetic coupling to practical systems. </p>

scholarly journals A General Fitting Function to Estimate Apparent Reaction Orders of Kinetic Profiles

2019 ◽  
Author(s):  
Robert Pollice
Keyword(s):  
Chemical Reactions ◽  
Catalyst Deactivation ◽  
Rapid Development ◽  
Product Inhibition ◽  
Time Profile ◽  
Time Data ◽  
Concentration Time ◽  
Wide Range ◽  
Reaction Orders

The rapid development of analytical methods in recent decades has resulted in a wide range of readily available and accurate reaction-monitoring techniques, which allow for easy determination of high-quality concentration-time data of chemical reactions. However, while the acquisition of kinetic data has become routine in the development of new chemical reactions and the study of their mechanisms, not all the information contained therein is utilized because of a lack of suitable analysis tools which unnecessarily complicates mechanistic studies. Herein, we report on a general method to analyze a single concentration-time profile of chemical reactions and extract information regarding the reaction order with respect to substrates, the presence of multiple kinetic regimes, and the presence of kinetic complexities, such as catalyst deactivation, product inhibition, and substrate decomposition.<br>

scholarly journals Minimizing Polymorphic Risk Through Cooperative Computational and Experimental Exploration

2020 ◽  
Author(s):  
Christopher R. Taylor ◽  
Matthew T. Mulvee ◽  
Domonkos S. Perenyi ◽  
Michael R. Probert ◽  
Graeme Day ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Structure Prediction ◽  
Experimental Approach ◽  
Significant Risk ◽  
Free Energy Calculations ◽  
Crystal Structure Prediction ◽  
Crystal Forms ◽  
Wide Range ◽  
Solid Form

<div> <p>We combine state-of-the-art computational crystal structure prediction (CSP) techniques with a wide range of experimental crystallization methods to understand and explore crystal structure in pharmaceuticals and minimize the risk of unanticipated late-appearing polymorphs. Initially, we demonstrate the power of CSP to rationalize the difficulty in obtaining polymorphs of the well-known pharmaceutical isoniazid and show that CSP provides the structure of the recently discovered, but unsolved, Form III of this drug despite there being only a single known form for almost 70 years. More dramatically, our blind CSP study predicts a significant risk of polymorphism for the related iproniazid. Employing a wide variety of experimental techniques, including high-pressure experiments, we experimentally obtained the first three known non-solvated crystal forms of iproniazid, all of which were successfully predicted in the CSP procedure. We demonstrate the power of CSP methods and free energy calculations to rationalize the observed elusiveness of the third form of iproniazid, the success of high-pressure experiments in obtaining it, and the ability of our synergistic computational-experimental approach to “de-risk” solid form landscapes.</p> </div>

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