scholarly journals Mathematical Model, Simulation and Scale up of Batch Reactor Used in Oxidative Desulfurization of Kerosene

2021 ◽  
Vol 22 (3) ◽  
pp. 11-17
Author(s):  
Ghazwan Ahmed ◽  
Jasim Humadi ◽  
Ahmad Aabid
Keyword(s):  
Mathematical Model ◽  
Kinetic Parameters ◽  
Batch Reactor ◽  
Scale Up ◽  
Oxidative Desulfurization ◽  
Reaction Conditions ◽  
Exponential Factor ◽  
Simulation And Optimization ◽  
The Mathematical Model ◽  
Optimal Reaction

In this paper, a mathematical model for the oxidative desulfurization of kerosene had been developed. The mathematical model and simulation process is a very important process due to it provides a better understanding of a real process. The mathematical model in this study was based on experimental results which were taken from literature to calculate the optimal kinetic parameters where simulation and optimization were conducted using gPROMS software. The optimal kinetic parameters were Activation energy 18.63958 kJ/mol, Pre-exponential factor 2201.34 (wt)-0.76636. min-1 and the reaction order 1.76636. These optimal kinetic parameters were used to find the optimal reaction conditions which used to obtain a high conversion (≥ 99%). These optimal reaction conditions were reaction temperature 379.4 oK and reaction time 160 min. A scale up to batch reactor was conducted using these optimal kinetic parameters and optimal reaction conditions and the results showed the best reactor size that can be used at a diameter of 1.2 m.

Simulation and Optimization of Airframe Assembly Process

2018 ◽  
Author(s):  
Sergey Lupuleac ◽  
Nadezhda Zaitseva ◽  
Maria Stefanova ◽  
Sergey Berezin ◽  
Julia Shinder ◽  
...  
Keyword(s):  
Mathematical Model ◽  
Statistical Analysis ◽  
Problem Solving ◽  
Contact Problem ◽  
Quality Measures ◽  
Assembly Process ◽  
Variation Analysis ◽  
Simulation And Optimization ◽  
The Mathematical Model ◽  
Variation Simulation

An approach for simulating the assembly process where compliant airframe parts are being joined by riveting is presented. The foundation of this approach is the mathematical model based on the reduction of the corresponding contact problem to a Quadratic Programming (QP) problem. The use of efficient QP algorithms enables mass contact problem solving on refined grids, which is needed for variation analysis and simulation as well as for the consequent assembly process optimization. To perform variation simulation, the initial gap between the parts is assumed to be stochastic and a cloud of such gaps is generated based on statistical analysis of the available measurements. The developed approach is illustrated with two examples, simulation of A350-900 wing-to-fuselage joining and optimization of A320 wing box assembly. New contact quality measures are discussed.

scholarly journals Uptake of cadmium by Pseudokirchneriella supcapitata

2005 ◽  
Vol 48 (6) ◽  
pp. 1027-1034 ◽  
Author(s):  
Magela Paula Casiraghi ◽  
Samuel Luporini ◽  
Eduardo Mendes da Silva
Keyword(s):  
Mathematical Model ◽  
Metal Ions ◽  
Simulation Model ◽  
Kinetic Parameters ◽  
Cellular Membrane ◽  
Surface Absorption ◽  
Fast Absorption ◽  
Passive Adsorption ◽  
Two Stages ◽  
The Mathematical Model

In this work the microalgae Pseudokirchneriella supcapitata was used for the removal of the cadmium in liquids. The accumulations of metal ions by the alga occur in two stages: a very fast absorption (passive adsorption) proceeded by a slower absorption (activate absorption). A mathematical model based on the surface absorption and on the transport into the interior of the cellular membrane was developed. The simulation model kinetic parameters were experimentally obtained. Through the results observed, the mathematical model was shown to be suitable when compared to the experimental results, confirming the validation of the mathematical model.

Development and automation of algorithm for determining basis of nonlinear parameter functions of kinetic constants

2019 ◽  
Vol 19 (4) ◽  
pp. 252-257
Author(s):  
A. S. Ismagilova ◽  
Z. A. Khamidullina ◽  
S. I. Spivak
Keyword(s):  
Mathematical Model ◽  
Kinetic Parameters ◽  
Platinum Catalyst ◽  
Hydrogen Oxidation ◽  
Nonlinear Parameter ◽  
Kinetic Constants ◽  
Model Parameters ◽  
Functional Relations ◽  
The Mathematical Model ◽  
Theoretical Issues

Mathematical modeling of catalytic processes is necessary for the complete and accurate description, as well as for controlling the quality and physicochemical studied of catalysts. In the paper, theoretical issues of industrial catalysis are discussed. The work is devoted to theoretical graph analysis of informativity of kinetic parameters of the model of a complex chemical reaction. The aim is the development and automation of algorithm for determining basis of nonlinear parameter functions in solving inverse problems of chemical kinetics in order to define the number and form of independent combinations of rate constants of elementary stages. A program package for analysis of informativity of kinetic parameters of the mathematical model of a complex catalytic reaction is developed and described. The obtained functional relations between the kinetic parameters can be useful for experimentalists in physicochemical interpretation and analysis of mechanisms of chemical reactions. In other words, the proposed method allows independent combinations of kinetic constants to be distinguished that results in shortening the number of the model parameters and, as a consequence, enhance the accuracy of the mathematical model. The mechanism of hydrogen oxidation over a platinum catalyst is given as an example of the use of the software.

scholarly journals Catalytic Oxidative/Extractive Desulfurization of Model Oil using Transition Metal Substituted Phosphomolybdates-Based Ionic Liquids

Catalysts ◽  
2018 ◽  
Vol 8 (12) ◽  
pp. 639 ◽  
Author(s):  
Yunlei Li ◽  
Yanjie Zhang ◽  
Panfeng Wu ◽  
Caiting Feng ◽  
Ganglin Xue
Keyword(s):  
Catalytic Activity ◽  
Ionic Liquids ◽  
Transition Metal ◽  
Sulfur Removal ◽  
Oxidative Desulfurization ◽  
High Catalytic Activity ◽  
Reaction Conditions ◽  
Extraction Solvent ◽  
Model Oil ◽  
Optimal Reaction

Polyoxometalates based ionic liquids (POM-ILs) exhibit a high catalytic activity in oxidative desulfurization. In this paper, four new POM-IL hybrids based on transition metal mono-substituted Keggin-type phosphomolybdates, [Bmim]5[PMo11M(H2O)O39] (Bmim = 1-butyl 3-methyl imidazolium; M = Co2+, Ni2+, Zn2+, and Mn2+), have been synthesized and used as catalysts for the oxidation/extractive desulfurization of model oil, in which ILs are used as the extraction solvent and H2O2 as an oxidant under very mild conditions. The factors that affected the desulfurization efficiency were studied and the optimal reaction conditions were obtained. The results showed that the [Bmim]5[PMo11Co(H2O)O39] catalyst demonstrated the best catalytic activity, with sulfur-removal of 99.8%, 85%, and 63% for dibenzothiophene (DBT), 4,6-dimethyldibenzothiophene (4,6-DMDBT), and benzothiophene (BT), respectively, in the case of extraction combining with a oxidative desulfurization system under optimal reaction conditions (5 mL model oil (S content 500 ppm), n(catalyst) = 4 μmol, n(H2O2)/n(Substrate) = 5, T = 50 °C for 60 min with [Omim]BF4 (1 mL) as the extractant). The catalyst can be recycled at least 8 times, and still has stability and high catalytic activity for consecutive desulfurization. Probable reaction mechanisms have been proposed for catalytic oxidative/extractive desulfurization.

scholarly journals Process Development and Synthesis of Process-Related Impurities of an Efficient Scale-Up Preparation of 5,2′-Dibromo-2,4′,5′-Trihydroxy Diphenylmethanone as a New Acute Pyelonephritis Candidate Drug

Molecules ◽  
2020 ◽  
Vol 25 (3) ◽  
pp. 468
Author(s):  
Xiu E Feng ◽  
Ke Meng Cui ◽  
Qing Shan Li ◽  
Zi Cheng Wu ◽  
Fei Lei
Keyword(s):  
Acute Pyelonephritis ◽  
High Performance ◽  
Process Development ◽  
Scale Up ◽  
Preparation Process ◽  
Reaction Conditions ◽  
Related Impurities ◽  
Candidate Drug ◽  
Optimal Reaction ◽  
Impurity Profiles

Based on a foregoing gram-scale laboratory process, an efficient scale-up preparation process of 5,2′-dibromo-2,4′,5′-trihydroxydiphenylmethanone (LM49-API), a new acute pyelonephritis candidate drug, was developed and validated aiming to reduce by-products and achieve better impurity profiles. Meanwhile, the polymorph of LM49-API and process-related impurities were also investigated. Ultimately, the optimal reaction conditions were verified by evaluating the impurity profiles and their formation during the synthesis. Six process-related impurities were synthesized and identified, being useful for the quality control of LM49-API. Its finalized preparation process was further validated at 329–410 g scale-up production in 53.4–57.1% overall yield with 99.95–99.98% high-performance liquid chromatography (HPLC) purity, and it is currently viable for commercial production. LM49-API-imC and LM49-API-imX were identified as the main single impurities in LM49-API, with the content controlled to be less than 0.03%.

Bulk Polymerization of Styrene using Multifunctional Initiators in a Batch Reactor: A Comprehensive Mathematical Model

2016 ◽  
Vol 14 (1) ◽  
pp. 315-329 ◽  
Author(s):  
E. Berkenwald ◽  
M. L. Laganá ◽  
P. Acuña ◽  
G. Morales ◽  
D. Estenoz
Keyword(s):  
Mathematical Model ◽  
Molecular Weight ◽  
Batch Reactor ◽  
Kinetic Mechanism ◽  
Bulk Polymerization ◽  
Diethyl Ketone ◽  
Molecular Weight Distributions ◽  
Weight Distributions ◽  
Global Reaction ◽  
The Mathematical Model

AbstractA detailed, comprehensive mathematical model for bulk polymerization of styrene using multifunctional initiators – both linear and cyclic – in a batch reactor was developed. The model is based on a kinetic mechanism that considers thermal initiation and chemical initiation by sequential decomposition of labile groups, propagation, transfer to monomer, termination by combination and re-initiation reactions due to undecomposed labile groups. The model predicts the evolution of global reaction variables (e.g, concentration of reagents, products, radical species and labile groups) as well as the evolution of the detailed complete polymer molecular weight distributions, with polymer species characterized by chain length and number of undecomposed labile groups. The mathematical model was adjusted and validated using experimental data for various peroxide-type multifunctional initiators: diethyl ketone triperoxide (DEKTP, cyclic trifunctional), pinacolone diperoxide (PDP, cyclic bifunctional) and 1,1-bis(tert-butylperoxy)cyclohexane (L331, linear bifunctional). The model very adequately predicts polymerization rates and complete molecular weight distributions. The model is used to theoretically evaluate the influence of initiator structure and functionality as well as reaction conditions.

Function Area Layout Method of Underground Distribution Center

2011 ◽  
Vol 48-49 ◽  
pp. 547-550
Author(s):  
Cheng Lin Ma ◽  
Hai Jun Mao
Keyword(s):  
Mathematical Model ◽  
Programming Model ◽  
Exact Algorithm ◽  
Distribution Center ◽  
Mixed Integer ◽  
Simulation Platform ◽  
Logistics System ◽  
Layout Planning ◽  
Simulation And Optimization ◽  
The Mathematical Model

Function area layout of underground distribution center is an important part of urban underground distribution center planning so that it would indirectly affect the building and development of underground distribution center and even the whole urban underground logistics system. Based on Automod simulation platform, the function area layout planning method was built in order to avoid underground operation invalidation because of the illogical function area layout. First by analyzing relative operation of underground distribution center, multi-objective 0-1 mixed integer programming model of function area layout was built based on two indexes of relativity and transit cost among function areas. Then the heuristic algorithm or exact algorithm was used to solve the mathematical model mathematical model and find out the layout scheme after quantifying the indicators. Finally the final layout was gained by simulation and optimization of Automod simulation platform. There was an example for proving the feasibility of the method. The results showed that the method was available to analyze the function area layout impact and it was very important for decision-making of building the underground distribution center.

A feedback temperature control in a chemical reactor with high inertia of its cooling system

1984 ◽  
Vol 49 (7) ◽  
pp. 1642-1652 ◽  
Author(s):  
Josef Horák ◽  
František Jiráček ◽  
Libuše Ježová
Keyword(s):  
Mathematical Model ◽  
Temperature Control ◽  
Cooling System ◽  
Batch Reactor ◽  
Time Derivative ◽  
Exothermic Reaction ◽  
Chemical Reactor ◽  
The One ◽  
The Mathematical Model ◽  
The Given

In this work we compare simple algorithms for the one-off feedback temperature control of the reaction mixture in a batch reactor during an exothermic reaction. The aim of the control was to maintain the temperature of the mixture within the given range, and simultaneously, to minimize the number of the regulator switchings. The temperature control of the mixture was being performed at conditions when working states of the reactor in an open regulation loop are unstable and when the response of the cooler to regulation is slow. The following control algorithms were compared: P - regulator, PD - regulator and algorithms based on a prediction mathematical model including its adaptive variant. The results indicate that the algorithms based on the mathematical model are more efficient. However, the precision of the control can be diminished due to error in the time derivative of the temperature of the reaction mixture which forms the input to the prediction model. The adaptive variant of the algorithms was advantageous in cases when it was necessary to make up for significant errors in initial estimates of parameters of the prediction mathematical model.

Second-order isothermal reaction in a semi-batch reactor: modeling, exact analytical solution, and experimental verification

2019 ◽  
Vol 4 (11) ◽  
pp. 2011-2020
Author(s):  
Mana Kord ◽  
Ali Nematollahzadeh ◽  
Behruz Mirzayi
Keyword(s):  
Mathematical Model ◽  
Analytical Solution ◽  
Flow Rate ◽  
Experimental Verification ◽  
Exact Analytical Solution ◽  
Batch Reactor ◽  
Second Order ◽  
Reaction Conditions ◽  
Reactor Modeling ◽  
Isothermal Reaction

Mathematical model of a semi-batch reactor (SBR) can be employed for tuning the concentration or flow rate of the external-feed of reactants, to control the reaction conditions and product properties.

scholarly journals The Synthesis of Mannose-6-Phosphate Using Polyphosphate-Dependent Mannose Kinase

Catalysts ◽  
2019 ◽  
Vol 9 (3) ◽  
pp. 250
Author(s):  
Wenlong Zhu ◽  
Miaomiao Gao ◽  
Biqiang Chen ◽  
Tianwei Tan ◽  
Hui Cao ◽  
...  
Keyword(s):  
Scale Up ◽  
Enzymatic Reaction ◽  
Synthesis Method ◽  
Cost Effective ◽  
Industrial Applications ◽  
Key Factors ◽  
Reaction Conditions ◽  
Mannose 6 Phosphate ◽  
Arthrobacter Species ◽  
Optimal Reaction

Mannose-6-phosphate (M6P) is involved in many metabolic pathways in life, and it has important applications in the treatment of diseases. This study explored a cost-effective enzyme catalytic synthesis method of M6P, using polyphosphate-dependent mannose kinase from Arthrobacter species. This synthesis uses polyphosphate to replace expensive ATP, and it is greener and safer than chemical synthesis. This study investigated the effects of key factors such as metal ions, temperature, and substrate addition on this enzymatic reaction, and improved the conversion efficiency. We moreover take advantage of the response surface method to explore the best catalytic conditions synthetically. The conversion was 99.17% successful under the optimal reaction conditions. After a series of optimizations, we carried out a 200 mL scale-up experiment, which proved that the method has good prospects for industrial applications.

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