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管式化学反应有限元仿真(环氧丙烷 (A) 与水 (B) 反应生成丙二醇 (C))
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2022-05-27
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该模型描述一种管式反应器,其中环氧丙烷 (A) 与水 (B) 反应生成丙二醇 (C): A + B -> C 由于水是溶剂,并且大量存在,因此反应动力学可以描述为关于环氧丙烷的一级反应 R = k*C_A 或者,也可以根据下式实现二级反应 R = kf*C_A*C_B - kr*C_C 该反应为放热反应,其中使用冷却套使反应器降温。反应器采用二维轴对称结构进行建模,仿真结果表明了径向和轴向的组分和温度变化。 comsol仿真文件下载链接:https://download.csdn.net/download/yjw0911/85470059
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2 | TUBULAR REACTOR
About the Tubular Reactor Application
With this application, students in chemical engineering can model a nonideal tubular
reactor, including radial and axial variations in temperature and composition, as well as
investigate the impact of different operating conditions. The process described is the
exothermic reaction of propylene oxide with water to form propylene glycol.
The application also exemplifies how teachers can build tailored interfaces for problems
that challeng
e the students’ imaginations. The model and exercise are originally described
in Scott Fogler’s Elements of Chemical Reaction Engineering (Ref. 1).
The mathematical model consists of an energy balance and a material balance described in
an axisymmetric coordinate system. The students can change the activation energy of the
reaction, the thermal conductivity, and the heat of reaction in the reactor, see Figure 1.
The resulting solution gives the axial and radial conversion as well as temperature profiles
in the reac
tor. For some data, the results from the simulation are not obvious, which means
that the interpretation of the model results also becomes a problem-solving exercise.
Change input parameters
Visualize the results
Compute the solution
Generate a simulation report
Open documentation
Reset to defaults
Reactor description
Status information
Play sound and send
email when the
computation is ready
Figure 1: The application’s user interface including the description of the main steps.
3 | TUBULAR REACTOR
The main steps in the use of the application are the following:
• Enter the input parameters, which are the activation energy, the thermal conductivity of
the reactor solution, and the heat of reaction. The students may also reset the input
parameters to their default values by selecting
Reset.
• Click the Compute button to run the simulation with the given input.
• Click the different
Results tabs to visualize the temperature and conversion field plots.
Also cross-section plots of the temperature and conversion profiles are available in their
respective tabs.
• Click the
Report button to generate a report for a simulation including the input data
and the corresponding results.
• Click the
Help button to read the documentation about the application.
Note that you can have the app play a sound when the simulation has finished by selecting
the Play sound check box under When Solved. In that section you can also send an email
when the computation is ready by selecting the
Email report to check box and entering an
email address in the corresponding text field. If needed, click the
Email Settings button to
open the Outgoing Server (SMTP) dialog box. With the preference settings, the app will use
either the email preferences set in COMSOL Multiphysics when using the
Test Application
feature or the preferences in COMSOL Server if the app is run on COMSOL Server. Select
the
Override preferences check box to specify a host and port, connection security, a
username and password, and a from email address. Those settings are saved in the app.
This sends a report with the settings and the computed results. The functionality can be
used by students to send the results to a supervisor. For computations that take a longer
time to compute, this functionality may be of great use. For example, you can start a
simulation and leave the office, or laboratory, and then get the full report from the app
when the computation is done, which you can access on the road or wherever you have
access to your mail.
4 | TUBULAR REACTOR
The Embedded Model
The process described by the embedded model is an exothermic reaction of propylene
oxide and water that forms propylene glycol. This reaction takes place in a tubular reactor
equipped with a cooling jacket in order to avoid explosion.
Figure 2: Sketch of the reactor geometry with the cooling jacket.
The reaction takes place in the liquid phase and in the presence of a solvent. The density
of the
reactor solution is therefore assumed to vary to a negligible extent, despite variations
in composition and temperature. Under these assumptions, it is possible to define a fully
developed velocity profile along the radius of the reactor.
MODEL DEFINITION
The reaction is a reversible conversion of species A, B, and C in liquid.
A is the notation for propylene oxide, B water, and C propylene glycol. The reaction
kinetics is 1st order in regard to the concentration of A, assuming that water is available to
such a large excess that its concentration is constant. Further, assuming identical transport
properties for the propylene oxide and propylene glycol, and that these species are present
in a dilute water solution, makes it possible to approximate the concentration of propylene
glycol, species C from the concentration of propylene oxide, species A, and the
stoichiometry of the reaction.
AB+ C⇔
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