CN101261497A - Industrial device crude terephthalic acid hydrofinishing reaction course optimizing operation method - Google Patents

Abstract

The invention relates to an optimal operation method of a hydrogenation refining reaction process of crude terephthalic acid by an industrial device, the method is based on a reaction dynamics model and a hydrogenation reactor model, applies a particle swarm optimization algorithm which is based on a phase angle to carry out the correction of the dynamics model and further applies the particle swarm optimization algorithm which is based on the phase angle to carry out the optimization of the process operation conditions on the basis of the model after the correction according to the practical industrial production target, thus achieving the purpose of carrying out accurate description of a chemical reaction process. The optimal operation method improves the precision of the models on the description of the chemical reaction process and provides the basis and foundation for the modification of the production process, the energy conservation and consumption reduction etc., and the method is applicable to the optimization of the hydrogenation reaction process of a variety of crude terephthalic acids, thus having wide adaptability.

Description

A kind of commercial plant crude terephthalic acid hydrofining reaction process optimization operation method

Technical field

The present invention relates to a kind of process optimization operation method, especially a kind of commercial plant crude terephthalic acid hydrofining reaction process optimization operation method.

Background technology

The course of reaction model investigation is the basis of carrying out technology, engineering development and optimization, and dynamics research is the basis of reaction engineering model investigation.The task of dynamics research is by investigating the chemical characteristic of course of reaction, quantitatively understand of the influence of conditions such as temperature of reaction, reactant concentration, catalyzer to course of reaction, be familiar with its rule and mechanism, set up kinetic model, thereby for the optimization of the design of industrial reactor, production operation condition, and the transformation of production technology etc. foundation and means are provided, therefore set up can the accurate description course of reaction kinetic model significant.

Pure terephthalic acid (Purified Terephthalic Acid is hereinafter to be referred as PTA) is the important source material of synthetic polyester fibers and plastics, is mainly used to the intermediate phthalic acid ethylene glycol of synthesizing polyester.Different PTA production technologies exists than big difference in the p xylene oxidation reaction process, but in crude terephthalic acid (Terephthalic Acid is hereinafter to be referred as TA) hydrogenation process the process route basically identical.

Fig. 1 is the process chart of crude terephthalic acid hydrofining reaction process formant in the AMOCO technology, TA, hydrogen and saturated vapour enter fixed bed type reactor in reactor head, flow through and be filled with the bed of Pd/C catalyzer, impurities is to carboxyl benzaldehyde (4-Carboxybenzaldehyde among the TA, be designated hereinafter simply as 4-CBA) mainly at high temperature, following and the hydrogen generation reduction reaction of high pressure, generate p-methylbenzoic acid (p-Toluic Acid, be designated hereinafter simply as PT acid), follow accessory substance to hydroxymethyl-benzoic acid (4-hydroxymethylbenzoic acid, be called for short 4-HMBA) and benzoic acid (Benzoic Acid is designated hereinafter simply as BA).Therefore hydrofining technology mainly is a reversed reaction principle of utilizing oxidation reaction, under High Temperature High Pressure, TA is dissolved in water, under the effect of Pd/C catalyzer, carries out hydrogenation reaction, make objectionable impurities such as the 4-CBA reduction among the TA, thereby water-washed away, make product reach the fibre-grade standard.

Studies show that crude terephthalic acid hydrofining reaction process is extremely complicated, has multiple subsidiary reaction, and main reaction is not to finish in a step yet.Because the complicacy of crude terephthalic acid hydrofining reaction, intermediate product and accessory substance are arranged in the reaction system, all components are all taken in, from analytic angle still be the Model Calculation angle all be impossible, be not applicable to also that up to the present the model of crude terephthalic acid hydrofining reaction process operation condition optimizing is extremely optimized operation method.

Summary of the invention

The invention provides a kind of commercial plant crude terephthalic acid hydrofining reaction process optimization operation method.The method is based on reaction Kinetics Model and hydrogenation reactor model, according to the actual industrial data, used particle swarm optimization algorithm based on the phasing degree, kinetic model is proofreaied and correct, and on model based after the correction, use particle swarm optimization algorithm once more based on the phasing degree, according to the actual industrial production target, process condition is optimized, chemical reaction process is carried out accurate description and realizes the commercial production energy saving purposes to reach.

A kind of commercial plant crude terephthalic acid hydrofining reaction process optimization operation method is characterized in that said method comprising the steps of:

1. gather the real-time and historical data of industrial reactor;

2. according to the TA charging, obtain the manual analysis value: TA concentration, the quality of the height of the content of 4-CBA, PT acid and beds, unit bed volume loading catalyst among the TA;

3. pure terephthalic acid's sample is gathered at the 5th grade of crystallizer place behind industrial reactor, analyze determine 4-CBA in the sample,

4-HMBA, PT acid and BA component concentration, and calculate the sampled value of reactor exit 4-CBA, 4-HMBA, PT acid and BA component concentration by material balance; Simultaneously, according to the different floor data of each sampling instant and the manual analysis value, calculate the predicted value of the corresponding 4-CBA of reactor exit, 4-HMBA, PT acid and BA component concentration by kinetic model and reactor model;

4. utilize population intelligent optimization algorithm based on the phasing degree, the dimension of particle is to the number in requisition for the model parameter of proofreading and correct, the value of corresponding each model parameter of the positional value of each dimension, the angle position of corresponding each model parameter in the phasing degree of each dimension, calculate the fitness of each particle in the population, the kinetic model parameter is proofreaied and correct, until reaching correction target;

5. utilize population intelligent optimization algorithm based on the phasing degree, the dimension of particle is to the number in requisition for the operating conditions parameter of optimizing, corresponding each the operating conditions parameter value of the positional value of each dimension, the angle position of corresponding each the process condition parameter in the phasing degree of each dimension, calculate the fitness of each particle, the operating conditions parameter is optimized, until reaching optimization aim.

Described step in 1. in real time and historical data be temperature of reaction, TA inlet amount, hydrogen feed amount, saturated vapour inlet amount.

The fitness of described step in 4. is meant the quadratic sum of the difference of predicted value that kinetic model goes out according to the calculation of parameter after proofreading and correct and sampled value, promptly $F_i=\underset{l=1}{\overset{\mathrm{num}}{\mathrm{\Σ}}}({(C_{4-\mathrm{CBA}}^{\mathrm{li}}-C_{4-\mathrm{CBA}}^l)}^2+{(C_{4-\mathrm{HMBA}}^{\mathrm{li}}-C_{4-\mathrm{HMBA}}^l)}^2+{(C_{\mathrm{PT}}^{\mathrm{li}}-C_{\mathrm{PT}}^l)}^2+{(C_{\mathrm{BA}}^{\mathrm{li}}-C_{\mathrm{BA}}^l)}^2),$ C _4-CBA ^Li, C _4-HMBA ^Li, C _PT ^LiAnd C _BA ^LiBe respectively the predicted value of 4-CBA, 4-HMBA, PT acid and BA component concentration, C _4-CBA ^l, C _4-HMBA ^l, C _PT ^lAnd C _BA ^lBe the sampled value of 4-CBA, 4-HMBA, PT acid and BA component concentration, i=1 ..., s, l=1 ..., num, num are the sample collection number, i=1 ..., s, s are the number of particles of population.

The correction target of described step in 4. is to proofread and correct cycle index or fitness corrected threshold.

The fitness of described step in 5. is meant the quadratic sum of the difference of predicted value that model goes out according to the operating conditions calculation of parameter after optimizing and optimization target values, promptly $F_i={(C_{4-\mathrm{CBA}}^i-C_{4-\mathrm{CBA}}^0)}^2,$ C _4-CBA ⁱBe the predicted value of 4-CBA component concentration, C _4-CBA ⁰Be the optimization target values of 4-CBA component concentration, i=1 ..., s, s are the number of particles of population.

The optimization aim of described step in 5. is to optimize cycle index or fitness is optimized threshold value.

The invention provides a kind of method of setting up the operation of commercial plant crude terephthalic acid hydrofining reaction process optimization, the method utilizes the colony intelligence optimized Algorithm that kinetic model is proofreaied and correct, and on model based after the correction, once more based on the population intelligent optimization algorithm at phasing degree, process condition is optimized, improved the precision of model to the chemical reaction process prescription, for the transformation of production technology, energy-saving and cost-reducing etc. provides basis and foundation, and the method is applicable to the optimization of all kinds of TA hydrogenation processes, and adaptability is widely arranged.

Description of drawings

Fig. 1 is the process chart of crude terephthalic acid hydrofining reaction process formant in the AMOCO technology.

Fig. 2 utilizes based on the phasing degree particle swarm optimization algorithm to carry out model optimization correction block diagram.

Fig. 3 utilizes based on the phasing degree particle swarm optimization algorithm to carry out operating conditions optimization block diagram.

The reference numeral explanation

Among Fig. 1, From 1JE101 represents to flow thigh from the TA slurry that heat exchanger network 1JE101 comes; 1FV2201 is the valve of corresponding pipeline; 1JD201 is a batch can in the middle of the TA slurry; 1JR202 is a hydrogenation reactor; H2 represents the hydrogen stream thigh; From 1HD918 represents the saturated steam flowing thigh of coming from 1HD918; 1JD301 represents 5 grades of tandem crystallizers to 1JD305, wherein the flash steam of 1JD301 generation is supplied with 1JE101B2, the flash steam that 1JD302 produces is supplied with 1JE101B1, the flash steam that 1JD303 produces is supplied with 1JE101A3, the flash steam that 1JD304 produces is supplied with 1JE101A2, the flash steam that 1JD305 produces is supplied with 1JE101A1, and unnecessary steam is supplied with exhaust scrubber 1JM301, sends into Pressure Centrifuges 1JM401 from the TA slurry that 1JD305 comes.

Among Fig. 2, t is for proofreading and correct cycle index, k ₁For 4-CBA arrives 4-HMBA reaction rate constants, k ₂Be the rate constant of 4-HMBA to the PT acid reaction, k ₃For 4-CBA arrives the BA reaction rate constants, 4-CBA is k to the BA reaction rate constants ₃, n ₁, n ₂, n ₃, n ₄, n ₅The order of reaction for correspondence.

Among Fig. 3, t is for optimizing cycle index, and T is a temperature of reaction, and H is a hydrogen flowing quantity.

Embodiment

The present invention is further described below in conjunction with drawings and Examples.

For crude terephthalic acid hydrofining reaction process, adopt the lumped reaction kinetic model usually, promptly only consider important intermediate component and final reacting product, simple relatively reaction kinetics network is proposed.

The laboratory study achievement shows, in crude terephthalic acid hydrofining reaction process, two parallel reactions of main existence, the one, the main reaction of tandem hydrogenation, the one, decarbonylation subsidiary reaction, its reaction network is shown in following response path, in the main reaction, 4-CBA and hydrogen generate intermediate product 4-HMBA under the Pd/C catalyst action, 4-HMBA and hydrogen generate final product PT acid under the Pd/C catalyst action.In the decarbonylation subsidiary reaction, 4-CBA generates BA and CO under the Pd/C catalyst action.Wherein 4-CBA is k to the 4-HMBA reaction rate constants ₁, 4-HMBA is k to the rate constant of PT acid reaction ₂, 4-CBA is k to the BA reaction rate constants ₃

Make the concentration of 4-CBA, 4-HMBA, PT acid, BA, hydrogen be respectively C respectively _4-CBA, C _4-HMBA, C _PT, C _BAWith

, it is as follows then can to set up kinetics equation:

The main reaction of tandem hydrogenation:

$\left\{\begin{array}{c}{r}_{4-\mathrm{CBA}1}=-\frac{{\mathrm{dc}}_{4-\mathrm{CBA}}}{\mathrm{dt}}=k_1{e}^{-\frac{E_1}{\mathrm{RT}}}{C}_{4-\mathrm{CBA}}^{n_1}{C}_{H_2}^{n_2}\\ r_{4-\mathrm{HMBA}}=\frac{{\mathrm{dc}}_{4-\mathrm{HMBA}}}{\mathrm{dt}}=k_1{e}^{-\frac{E_1}{\mathrm{RT}}}{C}_{4-\mathrm{CBA}}^{n_1}{C}_{H_2}^{n_2}-k_2{e}^{-\frac{E_2}{\mathrm{RT}}}{C}_{4-\mathrm{HMBA}}^{n_3}{C}_{H_2}^{n_4}\\ r_{\mathrm{PT}}=\frac{{\mathrm{dc}}_{\mathrm{PT}}}{\mathrm{dt}}=k_2{e}^{-\frac{E_2}{\mathrm{RT}}}{C}_{4-\mathrm{HMBA}}^{n_3}{C}_{H_2}^{n_4}\end{array}\right.---\left(1\right),$

The decarbonylation subsidiary reaction:

$\left\{\begin{array}{c}{r}_{4-\mathrm{CBA}2}=-\frac{{\mathrm{dc}}_{4-\mathrm{CBA}}}{\mathrm{dt}}=k_3{e}^{-\frac{E_3}{\mathrm{RT}}}{C}_{4-\mathrm{CBA}}^{n_5}\\ r_{\mathrm{BA}}=\frac{{\mathrm{dc}}_{\mathrm{BA}}}{\mathrm{dt}}=k_3{e}^{-\frac{E_3}{\mathrm{RT}}}{C}_{4-\mathrm{CBA}}^{n_5}\end{array}\right.---\left(2\right),$

R wherein _4-CBA1, r _4-HMBA, r _PTBe the reaction rate of each component of main reaction, r _4-CBA2, r _BABe the reaction rate of each component of subsidiary reaction, n ₁, n ₂, n ₃, n ₄, n ₅Be the order of reaction of correspondence, E ₁, E ₂, E ₃Energy of activation for the correspondence reaction.System of equations (1) and (2) are and comprise undetermined parameter k ₁, k ₂, k ₃And n ₁, n ₂, n ₃, n ₄, n ₅And E ₁, E ₂, E ₃Crude terephthalic acid hydrofining reaction kinetic model.

By semicontinuous batch still experiment in different temperature points, can record differential responses each concentration of component the during time, just can simulate the parameter of above-mentioned laboratory apparent kinetics equation again with mathematical method by the variation relation of concentration and time, its value is as follows: k ₁=9.25, k ₂=6.23, k ₃=305.6, n ₁=0.892, n ₂=0.36, n ₃=0.52, n ₄=0.12, n ₅=0.23, E ₁=19.23kJ/mol, E ₂=27.21kJ/mol, E ₃=52.5kJ/mol.

Because breadboard semicontinuous batch still and industrial crude terephthalic acid (TPA) hydrofining fixed bed vertical reactor have certain difference, so the data that obtain of the semicontinuous batch still experimental observation of chamber are tried to achieve kinetic model and reactor model has very big difference by experiment.But experiment and reaction activity in the industrial reaction process are identical, and order of reaction variation is not too large.Consider that laboratory main reaction and subsidiary reaction are separately to test, and in model tuning, set E ₁, E ₂, E ₃Constant, only need to optimize k ₁, k ₂, k ₃And n ₁, n ₂, n ₃, n ₄, n ₅For setting up the model of hydrogenation reactor, reactor is done following model hypothesis: gas phase and liquid phase evenly distribute at the reactor beds layer cross section; The height of reactor can be eliminated the influence of axial backmixing for the conversion ratio that is arrived; Flow velocity keeps constant in the process of bed of flowing through; No radial gradient; Reactor is done in steady state operation; Keep isothermal in the course of reaction.Like this, the actual industrial hydrogenation reactor can be reduced to the laminar flow model shown in the following formula (3):

$\left\{\begin{array}{c}u\frac{{\mathrm{dC}}_{H2}}{\mathrm{dz}}={\mathrm{\ρ}}_b{r}_{H2}\\ u\frac{{\mathrm{dC}}_{4-\mathrm{CBA}}}{\mathrm{dz}}={\mathrm{\ρ}}_b{r}_{4-\mathrm{CBA}}\\ u\frac{{\mathrm{dC}}_{4-\mathrm{HMBA}}}{\mathrm{dz}}={\mathrm{\ρ}}_b{r}_{4-\mathrm{HMBA}}\\ u\frac{{\mathrm{dC}}_{\mathrm{PT}}}{\mathrm{dz}}={\mathrm{\ρ}}_b{r}_{\mathrm{PT}}\\ u\frac{{\mathrm{dC}}_{\mathrm{BA}}}{\mathrm{dz}}={\mathrm{\ρ}}_b{r}_{\mathrm{BA}}\end{array}\right.---\left(3\right).$

Wherein u is a flow velocity, r _H2=r _4-CBA1, r _4-CBA=r _4-CBA1+ r _4-CBA2, ρ _bBe quality with unit bed volume loading catalyst etc., z is the catalyst bed layer height.

Population intelligent optimization algorithm based on the phasing degree is simply introduced, is theed contents are as follows:

In the population intelligent optimization algorithm based on the phasing degree, the increment at phasing degree has replaced speed, and particle position is then obtained by mapping function by the phasing degree, and it can be represented with the formula of following vector form:

$\mathrm{\Δ}{\stackrel{\→}{\mathrm{\θ}}}_i(t+1)=\mathrm{\ω}*\mathrm{\Δ}{\stackrel{\→}{\mathrm{\θ}}}_i\left(t\right)+c_1*{\stackrel{\→}{r}}_i\left(t\right)*({\stackrel{\→}{\mathrm{\θ}}}_{\mathrm{ib}}\left(t\right)-{\stackrel{\→}{\mathrm{\θ}}}_i\left(t\right))+c_2*{\stackrel{\→}{r}}_2\left(t\right)*({\stackrel{\→}{\mathrm{\θ}}}_g\left(t\right)-{\stackrel{\→}{\mathrm{\θ}}}_i\left(t\right))---\left(4\right),$

${\stackrel{\→}{\mathrm{\θ}}}_i(t+1)={\stackrel{\→}{\mathrm{\θ}}}_i\left(t\right)+\mathrm{\Δ}{\stackrel{\→}{\mathrm{\θ}}}_i(t+1)---\left(5\right),$

${\stackrel{\→}{x}}_i\left(t\right)=\frac{{\stackrel{\→}{x}}_{\max }-{\stackrel{\→}{x}}_{\min }}{2}\sin \left({\stackrel{\→}{\mathrm{\θ}}}_i\right)+\frac{{\stackrel{\→}{x}}_{\max }+{\stackrel{\→}{x}}_{\min }}{2}---\left(6\right),$

$F_i\left(t\right)=\mathrm{fitnessvalue}\left({\stackrel{\→}{x}}_i\left(t\right)\right)---\left(7\right),$

Wherein

Component ${\mathrm{\θ}}_{\mathrm{ij}}\∈[-\frac{\mathrm{\π}}{2},\frac{\mathrm{\π}}{2}],$

Component ${\mathrm{\Δ\θ}}_{\mathrm{ij}}\∈[-\frac{\mathrm{\π}}{2},\frac{\mathrm{\π}}{2}],$

Component x _Ij(t) ∈ [x _Minj, x _Maxj], be the optimizing scope that each ties up parameter.Work as θ _IjWith Δ θ _IjWhen being beyond the boundary, they are limited in boundary value, i=1 ..., s, j=1 ..., n.

S: population quantity;

N: particle dimension;

c ₁, c ₂: accelerator coefficient;

ω: inertia weight;

${\stackrel{\→}{r}}_1\left(t\right)~U\left(\mathrm{0,1}\right);$

${\stackrel{\→}{r}}_2\left(t\right)~U\left(\mathrm{0,1}\right);$

N-dimensional vector, t is the position of particle i constantly;

N-dimensional vector, each dimension values correspondence The maximal value that each dimension component may be obtained;

N-dimensional vector, each dimension values correspondence

The minimum value that each dimension component may be obtained;

T is the phase place of particle i constantly;

T is the increment of the phase place of particle i constantly;

T is the historical optimal value of the phase place of particle i constantly;

T is the phase place of global optimum's particle constantly;

F _i(t): t is the fitness value of particle i constantly;

F _Ib(t): t is the historical optimum fitness value of particle i constantly;

F _g(t): t is the fitness value of global optimum's particle constantly.

A kind of method of setting up the operation of commercial plant crude terephthalic acid hydrofining reaction process optimization, used particle swarm optimization algorithm based on the phasing degree, crude terephthalic acid hydrofining reaction process is carried out corrected model parameter, and on model based after the correction, according to the actual industrial production target, the particle swarm optimization algorithm of using once more based on the phasing degree is optimized process condition, and its concrete implementation step is as follows:

1. gather the real-time and historical data of industrial reactor, comprise temperature of reaction, TA inlet amount, hydrogen feed, saturated vapour charging.

2. according to the TA charging, obtain the content of 4-CBA, PT acid among manual analysis value TA concentration, the TA and the height of beds, the quality of unit bed volume loading catalyst.

3. the 5th grade of crystallizer gathered the PTA sample behind industrial crude terephthalic acid (TPA) hydrofining reactor, carry out manual analysis, determine 4-CBA, 4-HMBA, PT acid and BA components contents, calculate industrial reactor exit 4-CBA according to material balance then, 4-HMBA, the real content C of PT acid and BA component _4-CBA ^l, C _4-HMBA ^l, C _PT ^l, C _BA ^l, l=1 ..., the sampled value of num, value 100 in the present embodiment; Simultaneously, according to kinetic model and reactor model, promptly formula (1), (2) and (3) reach floor datas different when respectively sampling, and calculate reactor exit 4-CBA, 4-HMBA, PT acid and BA component concentration C _4-CBA ^Li, C _4-HMBA ^Li, C _PT ^LiAnd C _BA ^LiPredicted value, i=1 ..., s, l=1 ..., num, in the present embodiment, the population number of population is set at s=40.

4. utilize the population intelligent optimization algorithm based on the phasing degree, the dimension of each particle is to the number in requisition for the model parameter of proofreading and correct, and in the present embodiment, the parameter that needs to proofread and correct has k ₁, k ₂, k ₃And n ₁, n ₂, n ₃, n ₄, n ₅, therefore, in the particle cluster algorithm, particle dimension n=8, each dimension is represented k respectively ₁, k ₂, k ₃And n ₁, n ₂, n ₃, n ₄, n ₅And provide k according to laboratory data ₁, k ₂, k ₃And n ₁, n ₂, n ₃, n ₄, n ₅The optimizing scope be k ₁∈ [0,25], k ₂∈ [0,15], k ₃∈ [0,500], n ₁∈ [0.6,1], n ₂∈ [0,0.4], n ₃∈ [0.3,1], n ₄∈ [0,0.2], n ₅∈ [0,0.5].Calculate the fitness of each particle in the population then, the kinetic model parameter is proofreaied and correct, until reaching correction target, fitness function is set among the present invention:

$F_i\left(t\right)=\underset{l=1}{\overset{\mathrm{num}}{\mathrm{\Σ}}}({(C_{4-\mathrm{CBA}}^{\mathrm{li}}-C_{4-\mathrm{CBA}}^l)}^2+{(C_{4-\mathrm{HMBA}}^{\mathrm{li}}-C_{4-\mathrm{HMBA}}^l)}^2+{(C_{\mathrm{PT}}^{\mathrm{li}}-C_{\mathrm{PT}}^l)}^2+{(C_{\mathrm{BA}}^{\mathrm{li}}-C_{\mathrm{BA}}^l)}^2)---\left(8\right),$

Idiographic flow may further comprise the steps as shown in Figure 2:

A. initialization one contains the population of s n dimension particle, i.e. phasing degree

Initialization simultaneously

Promptly Get

Within random number;

B.t=1 utilizes formula (6) to calculate

Be t=1 k constantly ₁, k ₂, k ₃And n ₁, n ₂, n ₃, n ₄, n ₅, k ₁, k ₂, k ₃And n ₁, n ₂, n ₃, n ₄, n ₅Substitution formula (1), (2) and (3), and, try to achieve this C constantly such as temperature of reaction, feed rate etc. according to the service data of actual condition _4-CBA ^Li, C _4-HMBA ^Li, C _PT ^Li, C _BA ^Li, l=1 ..., num, i=1 ..., s, i.e. the prediction initial value of each component.And utilize formula (8) to calculate the fitness value F of each particle _i(1), i=1 ..., s, and F _i(1) composes to F _Ib(1),

Tax is given

MinF _i(1) composes to F _g(1), minF _i(1) Dui Ying phase place compose to

T=t+1;

C. for all particles, i.e. i=1 ..., s does following operation: utilize formula (4) to upgrade And restriction

Each component value at interval [Δ θ _Min, Δ θ _Max] in, in the present embodiment, W=0.7 in the formula (4), C ₁=C ₂=1.6;

D. for all particles, i.e. i=1 ..., s does following operation: utilize formula (5) to upgrade

And restriction

Each component value at interval [θ _Min, θ _Max] in;

E. for all particles, i.e. i=1 ..., s does following operation: utilize formula (6) to upgrade Be t k constantly ₁, k ₂, k ₃And n ₁, n ₂, n ₃, n ₄, n ₅, k ₁, k ₂, k ₃And n ₁, n ₂, n ₃, n ₄, n ₅Substitution formula (1), (2) and (3), and, try to achieve this C constantly such as temperature of reaction, feed rate etc. according to the service data of actual condition _4-CBA ^Li, C _4-HMBA ^Li, C _PT ^Li, C _BA ^LiPredicted value, l=1 ..., num, i=1 ..., s;

F. for all particles, i.e. i=1 ..., s does following operation: utilize formula (8), calculate F _i(t); G. for all particles, i.e. i=1 ..., s does following operation: if F _i(t)＜F _Ib(t-1), F then _Ib(t)=F _i(t), ${\stackrel{\→}{\mathrm{\θ}}}_{\mathrm{ib}}\left(t\right)={\stackrel{\→}{\mathrm{\θ}}}_i\left(t\right);$ Otherwise: F _Ib(t)=F _Ib(t-1), ${\stackrel{\→}{\mathrm{\θ}}}_{\mathrm{ib}}\left(t\right)={\stackrel{\→}{\mathrm{\θ}}}_{\mathrm{ib}}(t-1),$ Change the i step;

H. for all particles, i.e. i=1 ..., s does following operation: if F _i(t)＜F _g(t-1), F then _g(t)=F _i(t), ${\stackrel{\→}{\mathrm{\θ}}}_g\left(t\right)={\stackrel{\→}{\mathrm{\θ}}}_i\left(t\right);$ Otherwise: F _g(t)=F _g(t-1), ${\stackrel{\→}{\mathrm{\θ}}}_g\left(t\right)={\stackrel{\→}{\mathrm{\θ}}}_g(t-1);$

I. make t=t+1, get back to the c step, up to satisfying stopping criterion for iteration, whether promptly above default maximum correction cycle index or less than default fitness corrected threshold, each dimension of global optimum's particle is promptly represented and is needed the optimum parameters value at this moment.

According to the actual condition data, utilize said method, model parameter is proofreaied and correct, k is arranged ₁=1.124, k ₂=0.358, k ₃=109, n ₁=0.96, n ₂=0.23, n ₃=0.5, n ₄=0.1, n ₅=0.24.

5. utilize population intelligent optimization algorithm based on the phasing degree, the dimension of each particle is to the number in requisition for the operating conditions parameter of optimizing, among this embodiment, the operating conditions of need optimizing respond temperature and hydrogen flowing quantity, therefore, particle dimension n=2, each dimension is represented temperature of reaction T ℃ and hydrogen flowing quantity Hkg/hr respectively.And according to actual process, the optimizing scope of determining parameter is T ∈ [280,283], H ∈ [11,15], and the population number of population can be set at s=40.

Because the PTA final products are mainly examined the content of 4-CBA, so fitness function is set at:

$F_i\left(t\right)={(C_{4-\mathrm{CBA}}^i-C_{4-\mathrm{CBA}}^0)}^2---\left(9\right),$

C wherein _4-CBA ⁱBe the content of model output 4CBA, unit is mol/hr, C _4-CBA ⁰For optimization aim setting value unit is mol/hr.

Calculate the fitness of each particle, kinetic model operating conditions parameter is optimized, until reaching optimization aim, idiographic flow may further comprise the steps as described in Figure 3:

A. initialization one contains the population of s n dimension particle, i.e. phasing degree

Initialization simultaneously

Promptly

Get

Within random number;

B.t=1 utilizes formula (6) to calculate

Be t=1 T and H constantly, T and H substitution formula (1), (2) and (3), and according to TA concentration, other technological parameters such as TA feed rate are tried to achieve this C constantly _4-CBAPredicted value.And utilize formula (9) to calculate fitness value F _i(1), and F _i(1) composes to F _Ib(1),

Tax is given

MinF _i(1) composes to F _g(1), minF _i(1) Dui Ying phase place compose to

T=t+1;

C. for all particles, i.e. i=1 ..., s does following operation: utilize formula (4) to upgrade

And restriction

At interval [Δ θ _Min, Δ θ _Max] in;

D. for all particles, i.e. i=1 ..., s does following operation: utilize formula (5) to upgrade And restriction

At interval [θ _Min, θ _Max] in;

E. for all particles, i.e. i=1 ..., s does following operation: utilize formula (6) to upgrade

Be t=1 T and H constantly, T and H substitution formula (1), (2) and (3), and according to TA concentration, other technological parameters such as TA feed rate are tried to achieve this C constantly _4-CBA ⁱ

F. for all particles, i.e. i=1 ..., s does following operation: utilize formula (9) to calculate F _i(t);

G. for all particles, i.e. i=1 ..., s does following operation: if F _i(t)＜F _Ib(t-1), F then _Ib(t)=F _i(t), ${\stackrel{\→}{\mathrm{\θ}}}_{\mathrm{ib}}\left(t\right)={\stackrel{\→}{\mathrm{\θ}}}_i\left(t\right);$ Otherwise: F _Ib(t)=F _Ib(t-1), ${\stackrel{\→}{\mathrm{\θ}}}_{\mathrm{ib}}\left(t\right)={\stackrel{\→}{\mathrm{\θ}}}_{\mathrm{ib}}(t-1)$ Change the i step;

H. for all particles, i.e. i=1 ..., s does following operation: if F _i(t)＜F _g(t-1), F then _g(t)=F _i(t), ${\stackrel{\→}{\mathrm{\θ}}}_g\left(t\right)={\stackrel{\→}{\mathrm{\θ}}}_i\left(t\right);$ Otherwise: F _g(t)=F _g(t-1), ${\stackrel{\→}{\mathrm{\θ}}}_g\left(t\right)={\stackrel{\→}{\mathrm{\θ}}}_g(t-1);$

I. and make t=t+1, get back to the c step, up to satisfying stopping criterion for iteration, promptly whether optimize threshold value greater than default optimization cycle index or less than default fitness, the i.e. representative of each dimension of global optimum's particle needs the optimum parameters value.

According to a certain actual condition, the TA charging is 150m ³/ hr, we consider that TA concentration is 26.5%, 27%, 27.5%, and containing 4-CBA among the TA is 0.265%wt, and PT acid is 330ppmw, the optimization aim setting value $C_{4-\mathrm{CBA}}^0=5\mathrm{mol}/\mathrm{hr}$ The time, the result of optimized Algorithm.

TA concentration is 26.5% o'clock, and temperature of reaction is 281.5 ℃, and hydrogen flowing quantity is 11.187kg/hr, and the reactor exit The model calculation is C _4-CBA, C _4-HMBA, C _PT, C _BAContent is respectively 5.000mol/hr, 170.538mol/hr, 549.091mol/hr, 108.799mol/hr.

TA concentration is 27% o'clock, and temperature of reaction is 282.1 ℃, and hydrogen flowing quantity is 11.941kg/hr, and the reactor exit The model calculation is C _4-CBA, C _4-HMBA, C _PT, C _BAContent is respectively 5.000mol/hr, 172.154mol/hr, 562.636mol/hr, 108.868mol/hr.

TA concentration is 27.5% o'clock, and temperature of reaction is 282.6 ℃, and hydrogen flowing quantity is 12.968kg/hr, and the reactor exit The model calculation is C _4-CBA, C _4-HMBA, C _PT, C _BAContent is respectively 5.000mol/hr, 173.535mol/hr, 586.853mol/hr, 108.475mol/hr.

Only for the preferred embodiment of invention, be not to be used for limiting practical range of the present invention in sum.Be that all equivalences of doing according to the content of the present patent application claim change and modification, all should be technology category of the present invention.

Claims (6)

1. commercial plant crude terephthalic acid hydrofining reaction process optimization operation method is characterized in that said method comprising the steps of:

1. gather the real-time and historical data of industrial reactor;

2. according to the crude terephthalic acid charging, obtain the manual analysis value: crude terephthalic acid concentration, in the crude terephthalic acid to the content of carboxyl benzaldehyde, p-methylbenzoic acid and the height of beds, the quality of unit bed volume loading catalyst;

3. the 5th grade of crystallizer place behind industrial reactor, gather pure terephthalic acid's sample, analyze to determine in the sample to carboxyl benzaldehyde, to hydroxymethyl-benzoic acid, p-methylbenzoic acid and benzoic acid component concentration, and calculate reactor exit to carboxyl benzaldehyde, to the sampled value of hydroxymethyl-benzoic acid, p-methylbenzoic acid and benzoic acid component concentration by material balance; Simultaneously, according to the different floor data of each sampling instant and the manual analysis value, by kinetic model and reactor model calculate reactor exit accordingly to carboxyl benzaldehyde, to hydroxymethyl-benzoic acid, p-methylbenzoic acid and and the predicted value of benzoic acid component concentration;

4. utilize population intelligent optimization algorithm based on the phasing degree, the dimension of particle is to the number in requisition for the model parameter of proofreading and correct, the value of corresponding each model parameter of the positional value of each dimension, the angle position of corresponding each model parameter in the phasing degree of each dimension, calculate the fitness of each particle in the population, the kinetic model parameter is proofreaied and correct, until reaching correction target;

5. utilize population intelligent optimization algorithm based on the phasing degree, the dimension of particle is to the number in requisition for the operating conditions parameter of optimizing, corresponding each the operating conditions parameter value of the positional value of each dimension, the angle position of corresponding each the process condition parameter in the phasing degree of each dimension, calculate the fitness of each particle, the operating conditions parameter is optimized, until reaching optimization aim.

2. a kind of commercial plant crude terephthalic acid hydrofining reaction process optimization operation method according to claim 1 is characterized in that: described step in 1. in real time and historical data be temperature of reaction, crude terephthalic acid inlet amount, hydrogen feed amount, saturated vapour inlet amount.

3. a kind of commercial plant crude terephthalic acid hydrofining reaction process optimization operation method according to claim 1, it is characterized in that: the fitness of described step in 4., be meant the quadratic sum of the difference of predicted value that kinetic model goes out according to the calculation of parameter after proofreading and correct and sampled value, promptly $F_i=\underset{l=1}{\overset{\mathrm{num}}{\mathrm{\Σ}}}({(C_{4-\mathrm{CBA}}^{\mathrm{li}}-C_{4-\mathrm{CBA}}^l)}^2+{(C_{4-\mathrm{HMBA}}^{\mathrm{li}}-C_{4-\mathrm{HMBA}}^l)}^2+{(C_{\mathrm{PT}}^{\mathrm{li}}-C_{\mathrm{PT}}^l)}^2+{(C_{\mathrm{BA}}^{\mathrm{li}}-C_{\mathrm{BA}}^l)}^2),$ C _4-CBA ^Li, C _4-HMBA ^Li, C _PT ^LiAnd C _BA ^LiBe respectively to carboxyl benzaldehyde, to hydroxymethyl-benzoic acid, p-methylbenzoic acid and and the predicted value of benzoic acid component concentration, C _4-CBA ^l, C _4-HMBA ^l, C _PT ^lAnd C _BA ^lFor to carboxyl benzaldehyde, to the sampled value of hydroxymethyl-benzoic acid, p-methylbenzoic acid and benzoic acid component concentration, i=1 ..., s, l=1 ..., num, num are the sample collection number, i=1 ..., s, s are the number of particles of population.

4. a kind of commercial plant crude terephthalic acid hydrofining reaction process optimization operation method according to claim 1 is characterized in that: the correction target of described step in 4. is to proofread and correct cycle index or fitness corrected threshold.

5. a kind of commercial plant crude terephthalic acid hydrofining reaction process optimization operation method according to claim 1, it is characterized in that: the fitness of described step in 5., be meant the quadratic sum of the difference of predicted value that model goes out according to the operating conditions calculation of parameter after optimizing and optimization target values, promptly $F_i={(C_{4-\mathrm{CBA}}^i-C_{4-\mathrm{CBA}}^0)}^2,$ C _4-CBA ⁱBe the predicted value to the carboxyl benzaldehyde component concentration, C _4-CBA ⁰Be optimization target values to the carboxyl benzaldehyde component concentration, i=1 ..., s, s are the number of particles of population.

6. a kind of commercial plant crude terephthalic acid hydrofining reaction process optimization operation method according to claim 1 is characterized in that: the optimization aim of described step in 5. is to optimize cycle index or fitness is optimized threshold value.

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