CN107096482B - A kind of modeling method and device of dynamic continuous stirred tank reactor - Google Patents
A kind of modeling method and device of dynamic continuous stirred tank reactor Download PDFInfo
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- B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
- B01J19/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
- B01J19/18—Stationary reactors having moving elements inside
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- B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
- B01J2219/00049—Controlling or regulating processes
- B01J2219/00051—Controlling the temperature
- B01J2219/00054—Controlling or regulating the heat exchange system
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- B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
- B01J2219/00049—Controlling or regulating processes
- B01J2219/00051—Controlling the temperature
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- B01J2219/00072—Mathematical modelling
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Abstract
The invention discloses the modeling methods and device of a kind of dynamic continuous stirred tank reactor, and wherein method includes: to obtain the stoichiometric relationship of initial temperature value, initial pressure value, the initial component of each reactive material and reactive material；Calculate the initial total mole number and initial molar enthalpy in reactor；Calculate the current reaction rate value of each reactive material；Calculate the total mole number after prefixed time interval；Calculate mole enthalpy after prefixed time interval；Calculate the component of each reactive material after prefixed time interval；The temperature value after prefixed time interval is calculated according to flash distillation algorithm；The reaction rate value of each reactive material after prefixed time interval is calculated according to the temperature value after prefixed time interval.By setting initial value, the component of total mole number in prefixed time interval post-reactor, mole enthalpy and each reactive material is calculated, calculating speed is fast and computational accuracy is high.
Description
Technical field
The present invention relates to process control field more particularly to a kind of modeling methods and dress of dynamic continuous stirred tank reactor
It sets.
Background technique
The design of reactor model has the design of reactor, the optimization of production operation condition and the improvement of technique important
It influences, therefore, the modeler model for establishing the dynamic continuous stirred tank reactor that can accurately calculate reaction rate is significant, existing
The modeling method of dynamic continuous stirred tank reactor has that calculating speed is slow, computational accuracy is not high.
Summary of the invention
For overcome the deficiencies in the prior art, the purpose of the present invention is to provide a kind of dynamic continuous stirred tank reactors
Modeling method and device can solve the problem that prior art calculating speed is slow, computational accuracy is not high.
The purpose of the present invention is implemented with the following technical solutions:
A kind of modeling method of dynamic continuous stirred tank reactor, comprising:
Obtain the molar flow magnitude of each feeding flow stock in reactor, the molar flow magnitude of each gas phase discharging, the discharging of each liquid phase
Molar flow magnitude, each feeding flow stock mole enthalpy, each liquid phase discharging mole enthalpy, each gas phase discharging mole enthalpy,
The mole fraction value of each component in reactor calorie value, liquid phase reactor effluent stream stock, in gas discharge stream stock each component molar fraction
The overall product value of the mole fraction value of each component, reactor in value, feeding flow stock；
Obtain the stoichiometry of initial temperature value, initial pressure value, the initial component of each reactive material and each reactive material
Relationship；
Initial total mole number and initial molar enthalpy in reactor are calculated according to flash distillation algorithm；
According to the initial temperature value and the stoichiometric relationship of each reactive material, working as each reactive material is calculated
Preceding reaction rate value；
Mole to be discharged according to the initial total mole number, the molar flow magnitude of each feeding flow stock, each gas phase
Flow value, the molar flow magnitude of each liquid phase discharging, the overall product value of the reactor, each reactive material it is current anti-
Rate value is answered to calculate the total mole number after prefixed time interval；
According to the initial total mole number, the initial molar enthalpy, each feeding flow stock molar flow magnitude, described
Molar flow magnitude, mole enthalpy of each feeding flow stock, institute that the molar flow magnitude of each gas phase discharging, each liquid phase discharge
It is default to state mole enthalpy of each liquid phase discharging, mole enthalpy of each gas phase discharging, the reactor calorie value, the process
Total mole number after time interval calculates mole enthalpy after prefixed time interval；
According to the initial total mole number, the initial component of each reactive material, each feeding flow stock molar flow
Magnitude, the molar flow magnitude of each gas phase discharging, the molar flow magnitude of each liquid phase discharging, in the liquid phase reactor effluent stream stock
The mole fraction value of each component in the mole fraction value of each component, the gas discharge stream stock, each component in the feeding flow stock
Mole fraction value, reactor overall product value calculate the component of each reactive material after prefixed time interval；
According to the total mole number after prefixed time interval, the molar enthalpy after prefixed time interval
It is worth, the calculation of each reactive material after prefixed time interval goes out the temperature value after prefixed time interval；
Each reactive material after prefixed time interval is calculated according to the temperature value after prefixed time interval
Reaction rate value.
Preferably, described according to the initial temperature value and the stoichiometric relationship of each reactive material, it calculates each
The current reaction rate value of reactive material includes:
According to formula k=A*exp (- E/R*T) * TBCalculate reaction rate R；
The current reaction of each reactive material is calculated according to the stoichiometric relationship of reaction rate R and each reactive material
Rate value, wherein k, A, E, B are constant, and T is initial temperature value, RiFor the reaction rate of i-th of reactive material, i arrives for i=1
NC, NC are the number of reactive material in reactor.
Preferably, described according to the initial total mole number, the molar flow magnitude of each feeding flow stock, each gas phase
The molar flow magnitude of discharging, the molar flow magnitude of each liquid phase discharging, the overall product value of the reactor, each reactant
The current reaction rate value of matter calculates the total mole number after prefixed time interval and includes:
According to formula Mt+Δt=Mt+Δt*(∑Fin-Fv-Fl+V*ΣRi) calculate always rubbing after prefixed time interval
That number, wherein Δ t is prefixed time interval, MtFor initial total mole number, FinFor molar flow magnitude, the F of each feeding flow stockvFor
Molar flow magnitude, the F of each gas phase discharginglIt is the overall product value of reactor, R for molar flow magnitude, the V of each liquid phase dischargingiIt is each anti-
Answer the current reaction rate value of substance, Mt+ΔtFor the total mole number after prefixed time interval.
Preferably, it is described according to the initial total mole number, the initial molar enthalpy, each feeding flow stock mole
Flow value, the molar flow magnitude of each gas phase discharging, the molar flow magnitude of each liquid phase discharging, each feeding flow stock
Mole enthalpy, mole enthalpy of each liquid phase discharging, mole enthalpy of each gas phase discharging, the reactor calorie value,
The total mole number after prefixed time interval calculates mole enthalpy after prefixed time interval
According to formula
Calculate mole enthalpy after prefixed time interval, wherein HtFor initial molar enthalpy, HinFor each feeding flow stock
Mole enthalpy, HlMole enthalpy, H for the discharging of each liquid phasevIt is reactor calorie value for mole enthalpy, the Q of each gas phase discharging,
Ht+ΔtFor mole enthalpy after prefixed time interval.
Preferably, described according to the initial total mole number, the initial component of each reactive material, each feeding flow
The molar flow magnitude of stock, the molar flow magnitude of each gas phase discharging, the molar flow magnitude of each liquid phase discharging, the liquid phase
The mole fraction value of each component in reactor effluent stream stock, the mole fraction value of each component, the feeding flow in the gas discharge stream stock
The mole fraction value of each component, the overall product value of reactor calculate each reactive material after prefixed time interval in stock
Component includes:
According to formula
Calculate the component of each reactive material after prefixed time interval, wherein Ci(t)For i-th reactive material
Initial component, Ci(l)For the mole fraction value of each component in liquid phase reactor effluent stream stock, Ci(v)It rubs for each component in gas discharge stream stock
That fractional value is Ci(in)The mole fraction value of each component, C in feeding flow stocki(t+Δt)It is each anti-after prefixed time interval
Answer the component of substance.
The invention further relates to a kind of model building devices of dynamic continuous stirred tank reactor characterized by comprising first obtains
Modulus block, second obtain module, the first computing module, the second computing module, third computing module, the 4th computing module, the 5th
Computing module, the 6th computing module and the 7th computing module；
Described first obtains module, and for obtaining the molar flow magnitude of each feeding flow stock in reactor, each gas phase discharges
Molar flow magnitude, each liquid phase discharging molar flow magnitude, each feeding flow stock mole enthalpy, each liquid phase discharging mole enthalpy,
Mole enthalpy of each gas phase discharging, reactor calorie value, in liquid phase reactor effluent stream stock each component mole fraction value, gas discharge stream
The mole fraction value of each component in stock, in feeding flow stock the mole fraction value of each component, reactor overall product value；
It is described second obtain module, for obtain initial temperature value, initial pressure value, each reactive material initial component and
The stoichiometric relationship of each reactive material；
First computing module, for calculating initial total mole number in reactor according to flash distillation algorithm and initially rubbing
That enthalpy；
Second computing module, for according to the initial temperature value and the stoichiometry of each reactive material pass
System, calculates the current reaction rate value of each reactive material；
The third computing module, for according to the molar flow magnitude of the initial total mole number, each feeding flow stock,
The molar flow magnitude of each gas phase discharging, the molar flow magnitude of each liquid phase discharging, the overall product value of the reactor, institute
The current reaction rate value for stating each reactive material calculates the total mole number after prefixed time interval；
4th computing module, for according to the initial total mole number, the initial molar enthalpy, each charging
Flow the molar flow magnitude of stock, the molar flow magnitude of each gas phase discharging, each liquid phase discharging molar flow magnitude, described each
Mole enthalpy of feeding flow stock, mole enthalpy of each liquid phase discharging, mole enthalpy of each gas phase discharging, the reaction
Device calorie value, the total mole number after prefixed time interval calculate mole enthalpy after prefixed time interval；
5th computing module, for according to the initial total mole number, the initial component of each reactive material, institute
State the molar flow that the molar flow magnitude of each feeding flow stock, the molar flow magnitude of each gas phase discharging, each liquid phase discharge
Value, the mole fraction value of each component in the liquid phase reactor effluent stream stock, the mole fraction value of each component in the gas discharge stream stock,
The mole fraction value of each component, the overall product value of reactor calculate each after prefixed time interval in the feeding flow stock
The component of reactive material；
6th computing module, for pre- according to the total mole number after prefixed time interval, the process
If the calculation of mole enthalpy, each reactive material after prefixed time interval after time interval goes out by default
Temperature value after time interval；
7th computing module, for being calculated according to the temperature value after prefixed time interval by default
The reaction rate value of each reactive material after time interval.
Preferably, second computing module, is also used to according to formula
K=A*exp (- E/R*T) * TBCalculate reaction rate R；
The current reaction of each reactive material is calculated according to the stoichiometric relationship of reaction rate R and each reactive material
Rate value, wherein k, A, E, B are constant, and T is initial temperature value, RiFor the reaction rate of i-th of reactive material, i arrives for i=1
NC, NC are the number of reactive material in reactor.
Preferably, the third computing module, is also used to according to formula
Mt+Δt=Mt+Δt*(∑Fin-Fv-Fl+V*ΣRi) total mole number after prefixed time interval is calculated,
In, Δ t is prefixed time interval, MtFor initial total mole number, FinFor molar flow magnitude, the F of each feeding flow stockvGo out for each gas phase
Molar flow magnitude, the F of materiallIt is the overall product value of reactor, R for molar flow magnitude, the V of each liquid phase dischargingiFor each reactive material
Current reaction rate value, Mt+ΔtFor the total mole number after prefixed time interval.
Preferably, the 4th computing module, is also used to according to formula
Calculate mole enthalpy after prefixed time interval, wherein HtFor initial molar enthalpy, HinFor each feeding flow stock
Mole enthalpy, HlMole enthalpy, H for the discharging of each liquid phasevIt is reactor calorie value for mole enthalpy, the Q of each gas phase discharging,
Ht+ΔtFor mole enthalpy after prefixed time interval.
Preferably, the 5th computing module, is also used to according to formula
Calculate the component of each reactive material after prefixed time interval, wherein Ci(t)For i-th reactive material
Initial component, Ci(l)For the mole fraction value of each component in liquid phase reactor effluent stream stock, Ci(v)It rubs for each component in gas discharge stream stock
That fractional value is Ci(in)The mole fraction value of each component, C in feeding flow stocki(t+Δt)It is each anti-after prefixed time interval
Answer the component of substance.
Compared with prior art, the beneficial effects of the present invention are: by set initial value, after calculating prefixed time interval
The component of total mole number, mole enthalpy and each reactive material in reactor, calculating speed is fast and computational accuracy is high.
Detailed description of the invention
Fig. 1 is the modeling method flow chart of dynamic continuous stirred tank reactor provided in an embodiment of the present invention；
Fig. 2 is the model building device schematic diagram of dynamic continuous stirred tank reactor provided in an embodiment of the present invention.
Specific embodiment
In order to make the objectives, technical solutions, and advantages of the present invention clearer, with reference to the accompanying drawings and embodiments, right
The present invention is further elaborated.It should be appreciated that the specific embodiments described herein are merely illustrative of the present invention, and
It is not used in the restriction present invention.
As shown in Figure 1, the modeling method of dynamic continuous stirred tank reactor provided in an embodiment of the present invention, comprising:
Step S101: the molar flow magnitude, each of the molar flow magnitude of each feeding flow stock in reactor, the discharging of each gas phase is obtained
What the molar flow magnitude of liquid phase discharging, mole enthalpy of each feeding flow stock, mole enthalpy of each liquid phase discharging, each gas phase discharged rubs
Your enthalpy, reactor calorie value, the mole fraction value of each component in liquid phase reactor effluent stream stock, each component rubs in gas discharge stream stock
The overall product value of the mole fraction value of each component, reactor in that fractional value, feeding flow stock.
Specifically, reactor model is used cooperatively with other models, above-mentioned variable calculated from other models obtain or according to
The characteristic of reactive material itself obtains.
Step S102: initial temperature value, initial pressure value, the initial component of each reactive material and each reactive material are obtained
Stoichiometric relationship.
Step S103: initial total mole number and initial molar enthalpy in reactor are calculated according to flash distillation algorithm.
Specifically, initial pressure and total mole number initial value can be set, by flash calculation, reactor is carried out initial
Change, obtains initial total mole number and initial molar enthalpy.The flash calculation is the prior art, and details are not described herein.
Step S104: it according to the initial temperature value and the stoichiometric relationship of each reactive material, calculates each anti-
Answer the current reaction rate value of substance.
Specifically, according to formula k=A*exp (- E/R*T) * TBCalculate reaction rate R；
The current reaction of each reactive material is calculated according to the stoichiometric relationship of reaction rate R and each reactive material
Rate value, wherein k, A, E, B are constant, can choose standard value, can also reset, T is initial temperature value, RiIt is i-th
The reaction rate of a reactive material, i are i=1 to NC, and NC is the number of reactive material in reactor.It is anti-with aA+bB=cC+dD
For answering, the stoichiometric coefficient of each reactive material of a, b, c, d,
Step S105: gone out according to the initial total mole number, the molar flow magnitude of each feeding flow stock, each gas phase
The molar flow magnitude of material, the molar flow magnitude of each liquid phase discharging, the overall product value of the reactor, each reactive material
Current reaction rate value calculate the total mole number after prefixed time interval.
Specifically, according to formula Mt+Δt=Mt+Δt*(∑Fin-Fv-Fl+V*ΣRi) calculate by prefixed time interval
Total mole number afterwards, wherein Δ t is prefixed time interval, MtFor initial total mole number, FinFor the molar flow of each feeding flow stock
Value, FvMolar flow magnitude, F for the discharging of each gas phaselFor each liquid phase discharging molar flow magnitude, the overall product value that V is reactor,
RiFor the current reaction rate value of each reactive material, Mt+ΔtFor the total mole number after prefixed time interval.
Step S106: according to the initial total mole number, the initial molar enthalpy, each feeding flow stock molar flow
Magnitude, the molar flow magnitude of each gas phase discharging, the molar flow magnitude of each liquid phase discharging, each feeding flow stock rub
Mole enthalpy, the reactor calorie value, institute that enthalpy, mole enthalpy of each liquid phase discharging, each gas phase discharge
It states the total mole number after prefixed time interval and calculates mole enthalpy after prefixed time interval.
Specifically, according to formula
Calculate mole enthalpy after prefixed time interval, wherein HtFor initial molar enthalpy, HinFor each feeding flow stock
Mole enthalpy, HlMole enthalpy, H for the discharging of each liquid phasevIt is reactor calorie value for mole enthalpy, the Q of each gas phase discharging,
Ht+ΔtFor mole enthalpy after prefixed time interval.
Step S107: according to the initial total mole number, the initial component of each reactive material, each feeding flow stock
Molar flow magnitude, the molar flow magnitude of each gas phase discharging, the molar flow magnitude of each liquid phase discharging, the liquid phase go out
The mole fraction value of each component in stream stock, in the gas discharge stream stock each component mole fraction value, the feeding flow stock
The mole fraction value of middle each component, the overall product value of reactor calculate the group of each reactive material after prefixed time interval
Point.
Specifically, according to formula
Calculate the component of each reactive material after prefixed time interval, wherein Ci(t)For i-th reactive material
Initial component, Ci(l)For the mole fraction value of each component in liquid phase reactor effluent stream stock, Ci(v)It rubs for each component in gas discharge stream stock
That fractional value is Ci(in)The mole fraction value of each component, C in feeding flow stocki(t+Δt)It is each anti-after prefixed time interval
Answer the component of substance.
Step S108: according to the total mole number after prefixed time interval, described after prefixed time interval
Mole enthalpy, each reactive material after prefixed time interval calculation go out after prefixed time interval
Temperature value.
Specifically, calculating the temperature value after prefixed time interval using flash distillation algorithm.
Step S109: it is calculated according to the temperature value after prefixed time interval each after prefixed time interval
The reaction rate value of reactive material.
Specifically, the calculation method of reaction rate is identical as step S104, according to reactive material each after prefixed time interval
Reaction rate value, recalculate the total mole number after next prefixed time interval, mole enthalpy and each reactant
The component of matter, constantly computes repeatedly, and reactor dynamic characteristic is simulated and analyzed, to optimize production.
The modeling method of dynamic continuous stirred tank reactor provided in an embodiment of the present invention is by setting initial value, when presetting
Between be spaced in by reaction rate dynamic calculate reactor in total mole number, mole enthalpy and each reactive material component, count
Calculation speed is fast and computational accuracy is high.
The embodiment of the present invention also provides a kind of model building device of dynamic continuous stirred tank reactor, as shown in Fig. 2, device packet
It includes:
First, which obtains module 11, second, obtains module 12, the first computing module 13, the second computing module 14, third calculating
Module 15, the 4th computing module 16, the 5th computing module 17, the 6th computing module 18 and the 7th computing module 19；
First obtain module 11, for obtain the molar flow magnitude of each feeding flow stock in reactor, each gas phase discharging rub
Your flow value, the molar flow magnitude of each liquid phase discharging, mole enthalpy of each feeding flow stock, the discharging of each liquid phase mole enthalpy, each
Mole enthalpy of gas phase discharging, reactor calorie value, in liquid phase reactor effluent stream stock each component mole fraction value, gas discharge stream stock
The overall product value of the mole fraction value of each component, reactor in the mole fraction value of middle each component, feeding flow stock；
Second obtains module 12, for obtaining initial temperature value, initial pressure value, the initial component of each reactive material and each
The stoichiometric relationship of reactive material；
First computing module 13, for calculating initial total mole number and initial molar in reactor according to flash distillation algorithm
Enthalpy；
Second computing module 14, for the stoichiometric relationship according to the initial temperature value and each reactive material,
Calculate the current reaction rate value of each reactive material；
Third computing module 15, for according to the initial total mole number, the molar flow magnitude of each feeding flow stock, institute
State the overall product value, described of the molar flow magnitude of each gas phase discharging, the molar flow magnitude of each liquid phase discharging, the reactor
The current reaction rate value of each reactive material calculates the total mole number after prefixed time interval；
4th computing module 16, for according to the initial total mole number, the initial molar enthalpy, each feeding flow
The molar flow magnitude of stock, the molar flow magnitude of each gas phase discharging, each liquid phase discharging molar flow magnitude, it is described respectively into
Mole enthalpy, the reactor that mole enthalpy of stream stock, mole enthalpy of each liquid phase discharging, each gas phase discharge
Calorie value, the total mole number after prefixed time interval calculate mole enthalpy after prefixed time interval；
5th computing module 17, for according to the initial component of the initial total mole number, each reactive material, described
The molar flow magnitude of molar flow magnitude, each liquid phase discharging that the molar flow magnitude of each feeding flow stock, each gas phase discharge,
The mole fraction value of each component in the liquid phase reactor effluent stream stock, the mole fraction value of each component, institute in the gas discharge stream stock
State the mole fraction value of each component in feeding flow stock, the overall product value of reactor calculate it is each anti-after prefixed time interval
Answer the component of substance；
6th computing module 18, for default according to the total mole number after prefixed time interval, the process
When the calculation of mole enthalpy, each reactive material after prefixed time interval after time interval goes out by presetting
Between be spaced after temperature value；
7th computing module 19, when for being calculated according to the temperature value after prefixed time interval by presetting
Between be spaced after each reactive material reaction rate value.
Preferably, the second computing module 14, is also used to according to formula
K=A*exp (- E/R*T) * TBCalculate reaction rate R；
The current reaction of each reactive material is calculated according to the stoichiometric relationship of reaction rate R and each reactive material
Rate value, wherein k, A, E, B are constant, and T is initial temperature value, RiFor the reaction rate of i-th of reactive material, i arrives for i=1
NC, NC are the number of reactive material in reactor.
Preferably, third computing module 15, is also used to according to formula
Mt+Δt=Mt+Δt*(∑Fin-Fv-Fl+V*ΣRi) total mole number after prefixed time interval is calculated,
In, Δ t is prefixed time interval, MtFor initial total mole number, FinFor molar flow magnitude, the F of each feeding flow stockvGo out for each gas phase
Molar flow magnitude, the F of materiallIt is the overall product value of reactor, R for molar flow magnitude, the V of each liquid phase dischargingiFor each reactive material
Current reaction rate value, Mt+ΔtFor the total mole number after prefixed time interval.
Preferably, the 4th computing module 16 is also used to according to formula
Calculate mole enthalpy after prefixed time interval, wherein HtFor initial molar enthalpy, HinFor each feeding flow stock
Mole enthalpy, HlMole enthalpy, H for the discharging of each liquid phasevIt is reactor calorie value for mole enthalpy, the Q of each gas phase discharging,
Ht+ΔtFor mole enthalpy after prefixed time interval.
Preferably, the 5th computing module 17, is also used to according to formula
Calculate the component of each reactive material after prefixed time interval, wherein Ci(t)For i-th reactive material
Initial component, Ci(l)For the mole fraction value of each component in liquid phase reactor effluent stream stock, Ci(v)It rubs for each component in gas discharge stream stock
That fractional value is Ci(in)The mole fraction value of each component, C in feeding flow stocki(t+Δt)It is each anti-after prefixed time interval
Answer the component of substance.
The method in device and previous embodiment in the present embodiment be based on the same inventive concept under two aspect,
Front is described in detail method implementation process, so those skilled in the art can be according to foregoing description clearly
The structure and implementation process of the device in the present embodiment are solved, in order to illustrate the succinct of book, details are not described herein again.
For convenience of description, it is divided into various modules when description apparatus above with function to describe respectively.Certainly, implementing this
The function of each module can be realized in the same or multiple software and or hardware when invention.
As seen through the above description of the embodiments, those skilled in the art can be understood that the present invention can
It realizes by means of software and necessary general hardware platform.Based on this understanding, technical solution of the present invention essence
On in other words the part that contributes to existing technology can be embodied in the form of software products, the computer software product
It can store in storage medium, such as ROM/RAM, magnetic disk, CD, including some instructions are used so that a computer equipment
(can be personal computer, server or the network equipment etc.) executes the certain of each embodiment or embodiment of the invention
Method described in part.
The modeling method and device of dynamic continuous stirred tank reactor provided by the invention are calculated by setting initial value
The component of total mole number, mole enthalpy and each reactive material in prefixed time interval post-reactor, calculating speed is fast and calculates
Precision is high.
It will be apparent to those skilled in the art that can make various other according to the above description of the technical scheme and ideas
Corresponding change and deformation, and all these changes and deformation all should belong to the protection scope of the claims in the present invention
Within.
Claims (2)
1. a kind of modeling method of dynamic continuous stirred tank reactor characterized by comprising
What the molar flow magnitude of each feeding flow stock, the molar flow magnitude of each gas phase discharging, each liquid phase discharged in acquisition reactor rubs
That flow value, mole enthalpy of each feeding flow stock, mole enthalpy of each liquid phase discharging, mole enthalpy of each gas phase discharging, reaction
The mole fraction value of each component in device calorie value, liquid phase reactor effluent stream stock, the mole fraction value of each component in gas discharge stream stock, into
The overall product value of the mole fraction value of each component, reactor in stream stock；
Obtain the stoichiometric relationship of initial temperature value, initial pressure value, the initial component of each reactive material and each reactive material；
Initial total mole number and initial molar enthalpy in reactor are calculated according to flash distillation algorithm；
According to formula k=A*exp (- E/R*T) * TBCalculate reaction rate R；According to reaction rate R and each reactive material
Stoichiometric relationship calculates the current reaction rate value of each reactive material, wherein k, A, E, B are constant, and T is initial temperature
Value；
According to formula Mt+Δt=Mt+Δt*(∑Fin-Fv-Fl+V*ΣRi) calculate the total moles after prefixed time interval
Number, wherein Δ t is prefixed time interval, MtFor initial total mole number, FinFor molar flow magnitude, the F of each feeding flow stockvIt is each
Molar flow magnitude, the F of gas phase discharginglIt is the overall product value of reactor, R for molar flow magnitude, the V of each liquid phase dischargingiFor each reaction
The current reaction rate value of substance, Mt+ΔtFor the total mole number after prefixed time interval；
According to formula
Calculate mole enthalpy after prefixed time interval, wherein HtFor initial molar enthalpy, HinFor each feeding flow stock
Mole enthalpy, HlMole enthalpy, H for the discharging of each liquid phasevIt is reactor calorie value for mole enthalpy, the Q of each gas phase discharging,
Ht+ΔtFor mole enthalpy after prefixed time interval；
According to formula
Calculate the component of each reactive material after prefixed time interval, wherein Ci(t)For the initial of i-th reactive material
Component, Ci(l)For the mole fraction value of each component in liquid phase reactor effluent stream stock, Ci(v)For in gas discharge stream stock each component mole point
Numerical value is Ci(in)The mole fraction value of each component, C in feeding flow stocki(t+Δt)For each reactant after prefixed time interval
The component of matter；
According to the total mole number after prefixed time interval, mole enthalpy after prefixed time interval, institute
The calculation for stating each reactive material after prefixed time interval goes out the temperature value after prefixed time interval；
The anti-of after prefixed time interval each reactive material is calculated according to the temperature value after prefixed time interval
Answer rate value.
2. a kind of model building device of dynamic continuous stirred tank reactor characterized by comprising the first acquisition module, second are obtained
Modulus block, the first computing module, the second computing module, third computing module, the 4th computing module, the 5th computing module, the 6th
Computing module and the 7th computing module；
Described first obtains module, for obtaining mole of the molar flow magnitude of each feeding flow stock in reactor, the discharging of each gas phase
Mole enthalpy, each gas that flow value, the molar flow magnitude of each liquid phase discharging, mole enthalpy of each feeding flow stock, each liquid phase discharge
Mutually mole enthalpy, reactor calorie value of discharging, the mole fraction value of each component in liquid phase reactor effluent stream stock, in gas discharge stream stock
The overall product value of the mole fraction value of each component, reactor in the mole fraction value of each component, feeding flow stock；
Described second obtains module, for obtaining initial temperature value, initial pressure value, the initial component of each reactive material and each anti-
Answer the stoichiometric relationship of substance；
First computing module, for calculating initial total mole number and initial molar enthalpy in reactor according to flash distillation algorithm
Value；
Second computing module, for according to formula k=A*exp (- E/R*T) * TBCalculate reaction rate R；According to reaction speed
The stoichiometric relationship of rate R and each reactive material calculates the current reaction rate value of each reactive material, wherein k, A, E,
B is constant, and T is initial temperature value；
The third computing module, for according to formula Mt+Δt=Mt+Δt*(∑Fin-Fv-Fl+V*ΣRi) calculate by pre-
If the total mole number after time interval, wherein Δ t is prefixed time interval, MtFor initial total mole number, FinFor each feeding flow stock
Molar flow magnitude, FvMolar flow magnitude, F for the discharging of each gas phaselIt is reactor for molar flow magnitude, the V of each liquid phase discharging
Overall product value, RiFor the current reaction rate value of each reactive material, Mt+ΔtFor the total mole number after prefixed time interval；
4th computing module, for according to formula
Calculate mole enthalpy after prefixed time interval, wherein HtFor initial molar enthalpy, HinFor each feeding flow stock
Mole enthalpy, HlMole enthalpy, H for the discharging of each liquid phasevIt is reactor calorie value for mole enthalpy, the Q of each gas phase discharging,
Ht+ΔtFor mole enthalpy after prefixed time interval；
5th computing module, for according to formula
Calculate the component of each reactive material after prefixed time interval, wherein Ci(t)For the initial of i-th reactive material
Component, Ci(l)For the mole fraction value of each component in liquid phase reactor effluent stream stock, Ci(v)For in gas discharge stream stock each component mole point
Numerical value is Ci(in)The mole fraction value of each component, C in feeding flow stocki(t+Δt)For each reactant after prefixed time interval
The component of matter；
6th computing module, when for being preset according to the total mole number after prefixed time interval, the process
Between be spaced after mole enthalpy, each reactive material after prefixed time interval calculation go out to pass through preset time
Temperature value behind interval；
7th computing module, for being calculated according to the temperature value after prefixed time interval by preset time
The reaction rate value of each reactive material behind interval.
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| CN1798777A (en) * | 2003-05-30 | 2006-07-05 | 联合碳化化学及塑料技术公司 | Gas phase polymerization and method of controlling same |
| CN104298864A (en) * | 2014-09-30 | 2015-01-21 | 杭州电子科技大学 | Dynamic modeling method for syngas one-step dimethyl ether preparation |
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| WO2001054808A1 (en) * | 2000-01-28 | 2001-08-02 | Borealis Technology Oy | Feeding of liquid to a reactor |
| CN1798777A (en) * | 2003-05-30 | 2006-07-05 | 联合碳化化学及塑料技术公司 | Gas phase polymerization and method of controlling same |
| CN104298864A (en) * | 2014-09-30 | 2015-01-21 | 杭州电子科技大学 | Dynamic modeling method for syngas one-step dimethyl ether preparation |
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