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Optimization and Simulation of Reaction Process for Cyclohexanecarboxylic Acid Nitrosation

Author: Xia
Tutor: WuJian
School: Xiangtan University
Course: Chemical Engineering
Keywords: Cyclohexanecarboxylic Acid Nitrosation Reaction Kinetics Process Simulation Caprolactam
CLC: TQ236
Type: Master's thesis
Year: 2008
Downloads: 49
Quote: 1
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Abstract


Caprolactam（CPL） is one of the important petrochemicals for production of synthetic fibre and engineering plastic.Currently,there are three typical industrial techniques to manufactureε-caprolactam that are called cyclohexanone-hydroxylamine process,toluene process and photonitrosation process.All the processes consume an amount of oleum and form low valuable byproduct and bring a series of environment problem.To reduce the byproduct of toluene process and improve process yiled,this work proposes process simulation and optimization of cyclohexanecarboxylic acid nitrosation.This thesis involves the technices optimization and the kinectics of cyclohexanecarboxylic acid nitrosation,subsequently,the process simulation of cyclohexanecarboxylic acid nitrosation is studied by using process simulation software. To improve the technical of toluene process is not only of important significance in scientific research but also of great prospect in practical application.In the first part of the thesis,nitrosation reaction of cyclohexanecarboxylic acid is studied.Effect of proecess factors such as reaction time,feed time,the ratio of materiel, amount of CPL,solvent and heat removing method on the selectivity of caprolactam are discussed.The favorable conditions are as follows.The reaction time is 10 minutes as well as feed time is 6 minutes,the ratio of cyclohexanecarboxylic acid to nitrosyl sulfuric acid is 2.1～2.3 with initialized concentration of caprolactam is 20%～30%.With a possibility of controlling the reaction temperature,Both decrease of solvent and removing heat by external circulation are beneficial to the main reaction.Under the above conditions,the selectivity of caprolactam can reach 87%～90%,which is higher than the value of the currently industrial process（83%～85%）.In the second part of the thesis,a new reaction mechanism is proposed for the nitrosation of cyclohexanecarboxylic acid,which includes dehydration between molecules,nitrosation and rearrangement.Taking account of the simultaneous action of H+ and SO3 in nitrosation,the new mechanism gives reasonable explanation for the effective interaction of high concentration of SO3 and is good with the macro charater of stoichometric ratio in the reaction.Based on the analysis and simplification,a kinetic network is proposed with a main reation,a competitive-parallel reation and a competitive-consecutive reaction.The kinetic data are measured and the parameters are estimated by using a real number coding genetic algorithm. On the base of the obtained reaction kinetics,industrial lactamization reactor is simulated by the prosess simulation software by using the SINA’s process design value and industrial data.With feasible thermodynamics mothods,the industrial reaction equipment and improved equipment ate simulated respectively.The effect of operation parameter of lactamization reactor on the reaction are discussed and the characteristic information are analyzed.It is valuable and helpful for optimizing operation and reducing byproduction.

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CLC: > Industrial Technology > Chemical Industry > Basic Organic Chemistry Industry > The production of carbon - ring compounds,alicyclic compounds > Nitrogen-containing compounds of the alicyclic
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