CN109147872A - A kind of amplification prediction technique of chemical reaction consequence out of control - Google Patents
A kind of amplification prediction technique of chemical reaction consequence out of control Download PDFInfo
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- CN109147872A CN109147872A CN201710497711.8A CN201710497711A CN109147872A CN 109147872 A CN109147872 A CN 109147872A CN 201710497711 A CN201710497711 A CN 201710497711A CN 109147872 A CN109147872 A CN 109147872A
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Abstract
The invention discloses a kind of amplification prediction technique of chemical reaction consequence out of control, include the following steps: that (1) obtains the reactive kinetics parameters of runaway reaction by the other reaction process calorimetric data of laboratory level；(2) the runaway reaction characterisitic parameter under the rank is obtained by the reaction simulation device of lab scale rank；(3) the reaction simulation device according to step (2) establishes numerical simulator, and brings step (1) resulting reactive kinetics parameters into the model, calculates runaway reaction characterisitic parameter；(4) step (3) are calculated into parameters obtained and step (2) experiment parameters obtained comparison, thus corrected Calculation model；(5) runaway reaction that revised computation model is applied to commercial plant is predicted.The prediction technique is able to solve current commercial plant chemical process and reacts the simulation and forecasting problem of trigger condition out of control, runaway event and consequence out of control.
Description
Technical field
The present invention relates to chemical process security fields, in particular to the amplification prediction side of a kind of chemical reaction consequence out of control
Method.
Background technique
Due in chemical process, chemical conversion is transmitted along with quality, heat and momentum to be occurred, with the change of scale,
The transmitting of quality, heat, momentum all can generate variable gradient on space scale and time scale, this is attributed to " amplification effect
It answers ".The presence of enlarge-effect makes the characteristics such as Flow of Goods and Materials rule, mechanical efficiency and rate of heat transfer that essential change occur, small
The control condition and production law obtained under size reaction condition may deviate, thus cause to take thermal failure, build up of material,
The unusual service conditions such as hot localised points, this kind of unusual service condition are to cause chemical reaction that major reason out of control occurs.Thus, it is necessary to it opens
It sends out method a kind of and simulates the runaway reaction characteristic of this amplification process and predict runaway reaction consequence.
The amplification prediction technique of runaway chemical reactions process has following two categories at present:
One, amplifying method step by step, this method is directed to same chemical process, using laboratory level, hour rank, pilot scale rank
The method for improving reaction size step by step, reaction rule and amplification characteristic during investigation method.But for runaway reaction,
When size is more than lab scale rank, consequence out of control often includes violent temperature rise, pressure rises or even explosion, and consequence is that experimentation can not
Implement and receives.
Two, method for numerical simulation, it is more mature in Numerical heat transfer, flow process for CFD software at present, but chemical anti-
Aspect application should be calculated seldom, the reason is that the accuracy of the shortage of reactive kinetics parameters and its calculated result can not be tested
Card.
Summary of the invention
In order to solve the above technical problems, the present invention provides a kind of amplification prediction technique of chemical reaction consequence out of control, with
Reach solve current commercial plant chemical process react trigger condition out of control, runaway event and consequence out of control simulation and
The purpose of forecasting problem.
In order to achieve the above objectives, technical scheme is as follows:
A kind of amplification prediction technique of chemical reaction consequence out of control, includes the following steps:
(1) reactive kinetics parameters of runaway reaction are obtained by the other reaction process calorimetric data of laboratory level；
(2) the runaway reaction characterisitic parameter under the rank is obtained by the reaction simulation device of lab scale rank；
(3) the reaction simulation device according to step (2) establishes numerical simulator, and the resulting reaction of step (1) is dynamic
Mechanics parameter brings the model into, calculates runaway reaction characterisitic parameter；
(4) step (3) are calculated into parameters obtained and step (2) experiment parameters obtained comparison, thus corrected Calculation model；
(5) runaway reaction that revised computation model is applied to commercial plant is predicted.
In above scheme, the step (1) is specifically included for specific chemical process flow, carries out calorimetric experiment, is screened
Material that the reaction process may occur decomposes, secondary response and may cause reaction out of control, and according to exothermic heat of reaction speed
Rate obtains reactive kinetics parameters and reaction rate.
In further technical solution, the reactive kinetics parameters include activation energy, pre-exponential factor and the order of reaction.
In above scheme, the step (2) is specifically included the process flow on larger sized reaction simulation device
Runaway reaction simulated experiment is carried out, which is generally 1-5L rank, available corresponding runaway reaction characterisitic parameter.
In above scheme, the step (3) specifically include according to the structure of the reaction simulation device of step (2) and size into
Row numerical simulation, establishing numerical simulator includes geometrical model, grid dividing, and determining flow model, heat transfer model, object
Matter Transport Model, and it is embedded in numerical simulator by the reactive kinetics parameters that UDF programming module obtains step (1), lead to
It crosses and runaway reaction characterisitic parameter is calculated.
In above scheme, the step (4), which specifically includes, calculates parameters obtained and step (2) experiment gained for step (3)
Parameter comparison verifies the accuracy of analogue data, and makes corresponding Modifying model according to error, by the process repeatedly into
Row, finally obtains the computation model for being suitble to the reaction system.
In above scheme, the step (5), which specifically includes, is applied to commercial plant rank for the computation model after optimization
Simulation calculates, by changing reaction temperature, reaction pressure, material concentration, heat condition, mechanical transport condition being taken to investigate runaway reaction
Initiation conditions, while can investigate the stress variation of each equipment in runaway event, flowing variation, change of temperature field situation, thus
Runaway reaction consequence is predicted.
Through the above technical solutions, the beneficial effect of the amplification prediction technique of chemical reaction consequence out of control provided by the invention
It is Binding experiment and method for numerical simulation, the intrinsic kinetics (reaction of runaway reaction is obtained by other test of laboratory level
Process mass transfer and heat transfer influence to ignore), and bring the dynamics data into numerical simulator and calculate, acquired results
It is compared with experimental result is modeled, verifies its accuracy and be subject to Modifying model, it is other that the model is finally applied to technical grade
Prediction, the shortcomings that this method effectively overcomes existing two classes method, can Accurate Prediction chemical reaction consequence out of control, convenient for operation
Personnel cope in time, provide safety guarantee to experimental implementation.
Specific embodiment
The technical scheme in the embodiments of the invention will be clearly and completely described below.
The present invention provides a kind of amplification prediction technique of chemical reaction consequence out of control, this method can be with Accurate Prediction chemical industry
Runaway reaction consequence.
Specific embodiment is as follows:
A kind of amplification prediction technique of chemical reaction consequence out of control, includes the following steps:
(1) it is directed to specific chemical process flow, carries out calorimetric experiment, screens the material point that the reaction process may occur
Solution and may cause reaction out of control at secondary response, and obtain reactive kinetics parameters (including work according to exothermic heat of reaction rate
Change energy and pre-exponential factor) and reaction rate.
(2) process flow is carried out to runaway reaction simulated experiment, the size on larger sized reaction simulation device
Rank is generally 1-5L rank, available corresponding runaway reaction characterisitic parameter.
(3) numerical simulation is carried out according to the structure of the reaction simulation device of step (2) and size, establishes numerical simulator
Including geometrical model, grid dividing, and determine flow model, heat transfer model, mass transport model, and mould is programmed by UDF
The reactive kinetics parameters that block obtains step (1) are embedded in numerical simulator, and runaway reaction characterisitic parameter is obtained by calculation.
(4) step (3) are calculated into parameters obtained and step (2) experiment parameters obtained comparison, verifies the accurate of analogue data
Property, and corresponding Modifying model is made according to error, by being repeated for the process, finally obtains and be suitble to the reaction system
Computation model.
(5) simulation that the computation model after optimization is applied to commercial plant rank is calculated, by change reaction temperature, instead
It answers pressure, material concentration, heat condition, mechanical transport condition is taken to investigate the initiation conditions of runaway reaction, while mistake out of control can be investigated
The stress variation of each equipment, flowing variation, change of temperature field situation in journey, to predict runaway reaction consequence.
The foregoing description of the disclosed embodiments enables those skilled in the art to implement or use the present invention.
Various modifications to these embodiments will be readily apparent to those skilled in the art, as defined herein
General Principle can be realized in other embodiments without departing from the spirit or scope of the present invention.Therefore, of the invention
It is not intended to be limited to the embodiments shown herein, and is to fit to and the principles and novel features disclosed herein phase one
The widest scope of cause.
Claims (7)
1. a kind of amplification prediction technique of chemical reaction consequence out of control, which comprises the steps of:
(1) reactive kinetics parameters of runaway reaction are obtained by the other reaction process calorimetric data of laboratory level；
(2) the runaway reaction characterisitic parameter under the rank is obtained by the reaction simulation device of lab scale rank；
(3) the reaction simulation device according to step (2) establishes numerical simulator, and by step (1) resulting kinetics
Parameter brings the model into, calculates runaway reaction characterisitic parameter；
(4) step (3) are calculated into parameters obtained and step (2) experiment parameters obtained comparison, thus corrected Calculation model；
(5) runaway reaction that revised computation model is applied to commercial plant is predicted.
2. a kind of amplification prediction technique of chemical reaction consequence out of control according to claim 1, which is characterized in that the step
Suddenly (1) is specifically included for specific chemical process flow, carries out calorimetric experiment, screens the material point that the reaction process may occur
Solution secondary response and may cause reaction out of control, and obtain reactive kinetics parameters and reaction according to exothermic heat of reaction rate
Rate.
3. a kind of amplification prediction technique of chemical reaction consequence out of control according to claim 2, which is characterized in that described anti-
Answering kinetic parameter includes activation energy, pre-exponential factor and the order of reaction.
4. a kind of amplification prediction technique of chemical reaction consequence out of control according to claim 2, which is characterized in that the step
Suddenly (2) are specifically included carries out the process flow runaway reaction simulated experiment, the ruler on larger sized reaction simulation device
Very little rank is generally 1-5L rank, available corresponding runaway reaction characterisitic parameter.
5. a kind of amplification prediction technique of chemical reaction consequence out of control according to claim 1, which is characterized in that the step
Suddenly (3), which are specifically included, carries out numerical simulation according to the structure and size of the reaction simulation device of step (2), establishes numerical simulation mould
Type includes geometrical model, grid dividing, and determining flow model, heat transfer model, mass transport model, and passes through UDF and program
The reactive kinetics parameters that module obtains step (1) are embedded in numerical simulator, and runaway reaction characteristic ginseng is obtained by calculation
Number.
6. a kind of amplification prediction technique of chemical reaction consequence out of control according to claim 1, which is characterized in that the step
Suddenly (4), which are specifically included, calculates parameters obtained and step (2) experiment parameters obtained comparison for step (3), verifies the standard of analogue data
True property, and corresponding Modifying model is made according to error, by being repeated for the process, finally obtains and be suitble to the reaction system
Computation model.
7. a kind of amplification prediction technique of chemical reaction consequence out of control according to claim 1, which is characterized in that the step
Suddenly (5) specifically include by the computation model after optimization be applied to commercial plant rank simulation calculate, by change reaction temperature,
Reaction pressure, material concentration take heat condition, mechanical transport condition to investigate the initiation conditions of runaway reaction, while can investigate out of control
The stress variation of each equipment, flowing variation, change of temperature field situation in the process, to predict runaway reaction consequence.
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Cited By (1)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN113724794A (en) * | 2020-05-25 | 2021-11-30 | 中国石油化工股份有限公司 | Method and system for monitoring and early warning out of control of chemical reaction |
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| US7381836B2 (en) * | 2004-09-02 | 2008-06-03 | Eastman Chemical Company | Optimized liquid-phase oxidation |
| CN102393313A (en) * | 2011-10-18 | 2012-03-28 | 中国石油化工股份有限公司 | Temperature pressure tracking method of simulation device in petrifaction device in emergency discharge process |
| AU2014403368A1 (en) * | 2014-08-10 | 2017-03-23 | Pk Clean Technologies, Inc. | Converting polymer-containing materials to petroleum products |
| CN106599508A (en) * | 2016-12-26 | 2017-04-26 | 中华人民共和国上海出入境检验检疫局 | Lithium ion battery thermal runway prediction method in mobile phone operating |
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| CN113724794A (en) * | 2020-05-25 | 2021-11-30 | 中国石油化工股份有限公司 | Method and system for monitoring and early warning out of control of chemical reaction |
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