scholarly journals Simulation of Enzymatic Production of Amoxicillin

2021 ◽  
Author(s):  
Zafar Uddin Khan
Keyword(s):  
Kinetic Model ◽  
Industrial Process ◽  
Enzyme Concentration ◽  
Penicillin G ◽  
Chemical Route ◽  
Enzymatic Production ◽  
Runge Kutta Method ◽  
Gel Beads ◽  
Simulation Results ◽  
Toxic Organic Solvents

This project report is an attempt to find better conditions and reaction parameters for the potential commercialization of the enzymatic production of amoxicillin. A kinetic model from the literature was used to describe a reaction between p-hydroxyphenylglycine methyl ester (PHPGME) and 6-aminopenicillanic acid (6-APA) that is catalyzed by penicillin G acylase immobilized onto glyoxyl-agarose gel beads. A C++ computer program was developed using the Fourth Order Runge-Kutta method to simulate higher substrate and enzyme concentration during the reaction. For model validation, simulation results were compared with experimental data from the literature and fractional errors. This simulation model predicted 24% yield of amoxicillin at high substrate concentration (50mM of 6-APA; 300mM of PHPGME). It also predicted that increasing the enzyme concentration by four fold could produce a similar amoxicillin yield four times faster. The simulation results obtained in this work could be used in the future to aid in optimization and in further modifications of the kinetic model to predict even better yields. This enzymatic process could therefore become an industrial process to substitute the existing chemical route, which contains toxic organic solvents.

scholarly journals Simulation of Enzymatic Production of Amoxicillin

2021 ◽  
Author(s):  
Zafar Uddin Khan
Keyword(s):  
Kinetic Model ◽  
Industrial Process ◽  
Enzyme Concentration ◽  
Penicillin G ◽  
Chemical Route ◽  
Enzymatic Production ◽  
Runge Kutta Method ◽  
Gel Beads ◽  
Simulation Results ◽  
Toxic Organic Solvents

This project report is an attempt to find better conditions and reaction parameters for the potential commercialization of the enzymatic production of amoxicillin. A kinetic model from the literature was used to describe a reaction between p-hydroxyphenylglycine methyl ester (PHPGME) and 6-aminopenicillanic acid (6-APA) that is catalyzed by penicillin G acylase immobilized onto glyoxyl-agarose gel beads. A C++ computer program was developed using the Fourth Order Runge-Kutta method to simulate higher substrate and enzyme concentration during the reaction. For model validation, simulation results were compared with experimental data from the literature and fractional errors. This simulation model predicted 24% yield of amoxicillin at high substrate concentration (50mM of 6-APA; 300mM of PHPGME). It also predicted that increasing the enzyme concentration by four fold could produce a similar amoxicillin yield four times faster. The simulation results obtained in this work could be used in the future to aid in optimization and in further modifications of the kinetic model to predict even better yields. This enzymatic process could therefore become an industrial process to substitute the existing chemical route, which contains toxic organic solvents.

scholarly journals Fermentation Process Modeling with Levenberg-Marquardt Algorithm and Runge-Kutta Method on Ethanol Production bySaccharomyces cerevisiae

2014 ◽  
Vol 2014 ◽  
pp. 1-10 ◽  
Author(s):  
Dengfeng Liu ◽  
Ling Xu ◽  
Weili Xiong ◽  
Hong-Tao Zhang ◽  
Chi-Chung Lin ◽  
...  
Keyword(s):  
Kinetic Model ◽  
Industrial Process ◽  
Rice Wine ◽  
Chinese Rice Wine ◽  
Kinetics Parameters ◽  
Runge Kutta Method ◽  
Marquardt Algorithm ◽  
Influence Of Temperature On ◽  
Brewing Process ◽  
Ssf Process

The core of the Chinese rice wine making is a typical simultaneous saccharification and fermentation (SSF) process. In order to control and optimize the SSF process of Chinese rice wine brewing, it is necessary to construct kinetic model and study the influence of temperature on the Chinese rice wine brewing process. An unstructured kinetic model containing 12 kinetics parameters was developed and used to describe the changing of kinetic parameters in Chinese rice wine fermentation at 22, 26, and 30°C. The effects of substrate and product inhibitions were included in the model, and four variable, including biomass, ethanol, sugar and substrate were considered. TheR-square values for the model are all above 0.95 revealing that the model prediction values could match experimental data very well. Our model conceivably contributes significantly to the improvement of the industrial process for the production of Chinese rice wine.

scholarly journals ANALYSIS OF THE CURRENT STATE OF RESEARCHES OF THE DEPOSITION OF ASPHALT-RESINOUS SUBSTANCES, PARAFFIN, AND MODELING METHODS. REVIEW PART II: WAX DEPOSITION

2021 ◽  
pp. 13-23
Author(s):  
M.R. Manafov ◽  
◽  
G.S. Aliyev ◽  
A.I. Rustamova ◽  
V.I. Kerimli ◽  
...  
Keyword(s):  
Experimental Data ◽  
Kinetic Model ◽  
Deposition Process ◽  
Real Field ◽  
Wax Deposition ◽  
Scaling Effect ◽  
Modeling Methods ◽  
Current State ◽  
Simulation Results ◽  
Reliable Interpretation

The mechanism of paraffin formation in transport pipes is briefly discussed. A kinetic model of the formation and wax deposition from oil is proposed. Comparison of the model with the available experimental data gave satisfactory results. The review considers software tools for modeling the wax deposition process. It is noted that the simulation results are not always applicable to real field cases. For a more reliable interpretation, the scaling effect must be taken into account. In the work various technologies for wax removal are considered

scholarly journals A Simple Pseudo-Homogeneous Reversible Kinetic Model for the Esterification of Different Fatty Acids with Methanol in the Presence of Amberlyst-15

Energies ◽  
2018 ◽  
Vol 11 (7) ◽  
pp. 1843 ◽  
Author(s):  
Mauro Banchero ◽  
Giuseppe Gozzelino
Keyword(s):  
Fatty Acids ◽  
Kinetic Model ◽  
Niobium Oxide ◽  
Catalytic Mechanism ◽  
Saturated Fatty Acids ◽  
Industrial Process ◽  
Main Reaction ◽  
Kinetic Behavior ◽  
Amberlyst 15 ◽  
Biodiesel Synthesis

Fatty acid esterification with alcohols is a crucial step in biodiesel synthesis. Biodiesel consists of long-chain alkyl esters that derive from the transesterification or hydro-esterification of the triglycerides that are contained in vegetable oils. In the first route, the esterification of the free fatty acids is an important pretreatment of the feed; in the second, it is the main reaction of the industrial process. Knowledge of appropriate kinetic models for the catalytic esterification of fatty acids with alcohols is critical in the design of biodiesel synthesis processes. In this work, the kinetic behavior of the reversible esterification of lauric, myristic, palmitic and stearic acid, which are the most common saturated fatty acids that are contained in triglyceride feedstocks for biodiesel, with methanol at different temperatures (70–150 °C) and molar ratios of the reactants (1:1–1:2–1:5) was investigated in a batch laboratory basket reactor both in the presence and absence of Amberlyst-15 as the catalyst. Results obtained with Amberlyst-15 were fitted through a ready-to-use pseudo-homogeneous reversible model suitable for process design. The kinetic model was compared with that obtained in a previous work with niobium oxide as the catalyst. With respect to the results that were obtained with niobium oxide, the influence of the chain length of the acid on the kinetic behavior was strongly reduced in the presence of Amberlyst-15. This phenomenon was ascribed to a different catalytic mechanism.

scholarly journals Dynamics of the mobile platform with four wheel drive

2019 ◽  
Vol 254 ◽  
pp. 03006
Author(s):  
Anna Jaskot ◽  
Bogdan Posiadała
Keyword(s):  
Theoretical Model ◽  
Mobile Platform ◽  
Kutta Method ◽  
Friction Forces ◽  
Runge Kutta Method ◽  
Wheel Drive ◽  
Motion Parameters ◽  
Simulation Results ◽  
Four Wheel Drive ◽  
Unsteady Conditions

The dynamics problem of motion of the mobile platform with four wheel drive under the unsteady conditions have been formulated and analysed. The mobile platform prototype have been equipped with four independently driven and steered electric drive units.The theoretical model have been formed for the proposed design concept of the platform. The relations between friction forces in longitudinal and transverse directions in reference to the active forces have been considered. The analysis of the motion parameters for different configurations of the wheel positions has been included. The formulated initial problem has been numerically solved by using the Runge-Kutta method of the fourth order. The sample simulation results for different configurations of the platform elements during its motion have been included and the conclusions have been formulated.

Simulation on Coal Devolatilization Combined a Multi-Step Kinetic Model with Chemkin Software

2012 ◽  
Vol 608-609 ◽  
pp. 1375-1382
Author(s):  
Rui Zhang ◽  
Qin Hui Wang ◽  
Zhong Yang Luo ◽  
Meng Xiang Fang
Keyword(s):  
Experimental Data ◽  
Kinetic Model ◽  
Intermediate Product ◽  
Coal Combustion ◽  
Model Complexity ◽  
Coal Pyrolysis ◽  
Simple Application ◽  
Calculation Results ◽  
Simulation Results ◽  
Good Agreement

As the first step in coal combustion and gasification, coal devolatilization has significant effect on reaction process. Previous coal devolatilization models have some disadvantages, such as poor flexibility, model complexity, and requirement of characterization parameters. Recently, Sommariva et al. have proposed a multi-step kinetic model of coal devolatilization. This model avoids the disadvantages mentioned above and can predict elemental composition of tar and char. In this paper, the mechanism of this model has been revised for simple application to Chemkin. Revision method is that some reactions are split into more reactions by using one pseudo-intermediate-product to replace several final products. Simulation results show that calculation results from revised mechanism compare quite well with that from original mechanism and have good agreement with experimental data. The revised mechanism is accurate and can be applied to Chemkin very easily, which gives it wide application to simulation of coal pyrolysis, gasification and combustion.

Numerical analysis of hemivariational inequalities in contact mechanics

Acta Numerica ◽  
2019 ◽  
Vol 28 ◽  
pp. 175-286 ◽  
Author(s):  
Weimin Han ◽  
Mircea Sofonea
Keyword(s):  
Numerical Analysis ◽  
Mathematical Models ◽  
Contact Mechanics ◽  
Numerical Solutions ◽  
Deformable Body ◽  
Industrial Process ◽  
Contact Problems ◽  
Hemivariational Inequalities ◽  
Uniqueness Results ◽  
Simulation Results

Contact phenomena arise in a variety of industrial process and engineering applications. For this reason, contact mechanics has attracted substantial attention from research communities. Mathematical problems from contact mechanics have been studied extensively for over half a century. Effort was initially focused on variational inequality formulations, and in the past ten years considerable effort has been devoted to contact problems in the form of hemivariational inequalities. This article surveys recent development in studies of hemivariational inequalities arising in contact mechanics. We focus on contact problems with elastic and viscoelastic materials, in the framework of linearized strain theory, with a particular emphasis on their numerical analysis. We begin by introducing three representative mathematical models which describe the contact between a deformable body in contact with a foundation, in static, history-dependent and dynamic cases. In weak formulations, the models we consider lead to various forms of hemivariational inequalities in which the unknown is either the displacement or the velocity field. Based on these examples, we introduce and study three abstract hemivariational inequalities for which we present existence and uniqueness results, together with convergence analysis and error estimates for numerical solutions. The results on the abstract hemivariational inequalities are general and can be applied to the study of a variety of problems in contact mechanics; in particular, they are applied to the three representative mathematical models. We present numerical simulation results giving numerical evidence on the theoretically predicted optimal convergence order; we also provide mechanical interpretations of simulation results.

Dynamic Analysis Helicopter Flight Simulator

2014 ◽  
Vol 543-547 ◽  
pp. 1305-1308
Author(s):  
Xiao Feng Liu ◽  
Jing Wei Yu ◽  
Hai Tao Wang ◽  
Zhao Wen Fang
Keyword(s):  
Kinetic Model ◽  
Dynamic Analysis ◽  
Simulation Analysis ◽  
Structural Characteristics ◽  
Reference Value ◽  
Simulation System ◽  
Flight Simulator ◽  
Dynamics Model ◽  
Helicopter Flight ◽  
Simulation Results

For helicopter structural characteristics, this article focuses on the helicopter to take off, hover and other state aerodynamic analysis, the establishment of the fuselage-landing gear dynamics model; while the helicopter simulator simulation system are described, and the kinetic model was built simulation analysis, simulation results and the actual flight conditions consistent, indicating that the model is correct, there is a certain reference value.

Microstructure Development of an Electroplating Coated Nickel-Base SC Superalloy in Oxidation Processes—Simulation Results

2021 ◽  
Author(s):  
Kang Yuan ◽  
Zhaoran Zheng
Keyword(s):  
Kinetic Model ◽  
Single Crystal ◽  
Diffusion Zone ◽  
Microstructure Development ◽  
Diffusion Kinetic ◽  
Oxidation Processes ◽  
Secondary Reaction Zone ◽  
Tcp Phases ◽  
Simulation Results ◽  
Nickel Base

Abstract In this paper; a diffusion kinetic model was applied to simulate the microstructure development in a MCrAlY-superalloy system at high temperatures. Both simulation and experimental results showed that γ+γ’ microstructure was obtained in the coatings due to Al depletion after oxidation. With the help of the modelling; the mechanism of the formation of the diffusion zones in the single crystal (SC) superalloy can be also analyzed. The results revealed that the inward diffusion of Al from coating affected the depth of secondary reaction zone (SRZ) with the precipitation of TCP phases while the depth of inter-diffusion zone (IDZ) was decided by the inward diffusion of Cr.

The least-time optimization for abnormity control of a complex industrial process

2018 ◽  
Vol 41 (5) ◽  
pp. 1468-1476
Author(s):  
Hui Li ◽  
Fuli Wang ◽  
Hongru Li ◽  
Xu Wang
Keyword(s):  
Control Problem ◽  
Control Strategy ◽  
Optimization Problem ◽  
External Environment ◽  
Industrial Process ◽  
Economic Loss ◽  
Industrial Processes ◽  
Mechanical Constraints ◽  
Time Optimization ◽  
Simulation Results

Modern complex industrial processes are prone to errors because of interactions between humans, the external environment and the equipment. When the abnormity degree of a system increases, the system can generate failures or even accidents, which result in serious economic loss or even personal casualties. Therefore, it is necessary to take effective measures to remove the abnormity as soon as possible. This problem can be described as the least-time optimization problem. This paper analyses an abnormity by summarizing and comparing related concepts in the researched results. Based on these concepts, a control strategy for the abnormity in a complex industrial process is proposed by analysing the experience of operators on site. Taking the abnormity in the thickening process of gold hydrometallurgy as an example, this paper explores how the abnormity control problem can be transformed into the least-time optimization problem. Technical and mechanical constraints are described. Simulation results indicate that the proposed strategy can assist the operators to regulate the control variables and recover the abnormity as soon as possible. This produces better performance than the existing regulations on site.

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