CN109408841A - Simulated Moving Bed Chromatography process simulation - Google Patents
Simulated Moving Bed Chromatography process simulation Download PDFInfo
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- CN109408841A CN109408841A CN201710805360.2A CN201710805360A CN109408841A CN 109408841 A CN109408841 A CN 109408841A CN 201710805360 A CN201710805360 A CN 201710805360A CN 109408841 A CN109408841 A CN 109408841A
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- 238000000034 method Methods 0.000 title claims abstract description 39
- 238000004587 chromatography analysis Methods 0.000 title claims abstract description 31
- 238000004088 simulation Methods 0.000 title claims abstract description 25
- 238000005457 optimization Methods 0.000 claims abstract description 13
- 238000004422 calculation algorithm Methods 0.000 claims abstract description 8
- 238000003860 storage Methods 0.000 claims abstract description 3
- 238000000926 separation method Methods 0.000 claims description 14
- 239000000203 mixture Substances 0.000 claims description 11
- 239000011347 resin Substances 0.000 claims description 10
- 229920005989 resin Polymers 0.000 claims description 10
- 239000000126 substance Substances 0.000 claims description 7
- 230000002068 genetic effect Effects 0.000 claims description 6
- 238000009826 distribution Methods 0.000 claims description 5
- 238000010828 elution Methods 0.000 claims description 5
- 238000004519 manufacturing process Methods 0.000 claims description 5
- 238000012800 visualization Methods 0.000 claims description 3
- 238000009792 diffusion process Methods 0.000 claims description 2
- 239000002904 solvent Substances 0.000 claims description 2
- 238000012549 training Methods 0.000 claims description 2
- KRKNYBCHXYNGOX-UHFFFAOYSA-N citric acid Chemical compound OC(=O)CC(O)(C(O)=O)CC(O)=O KRKNYBCHXYNGOX-UHFFFAOYSA-N 0.000 description 78
- 239000003480 eluent Substances 0.000 description 27
- WQZGKKKJIJFFOK-GASJEMHNSA-N Glucose Natural products OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O WQZGKKKJIJFFOK-GASJEMHNSA-N 0.000 description 20
- 239000008103 glucose Substances 0.000 description 19
- WQZGKKKJIJFFOK-VFUOTHLCSA-N beta-D-glucose Chemical compound OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O WQZGKKKJIJFFOK-VFUOTHLCSA-N 0.000 description 11
- 239000007788 liquid Substances 0.000 description 10
- 230000000694 effects Effects 0.000 description 7
- 238000002474 experimental method Methods 0.000 description 3
- 239000000945 filler Substances 0.000 description 3
- 239000000463 material Substances 0.000 description 3
- 239000012071 phase Substances 0.000 description 3
- 238000011084 recovery Methods 0.000 description 3
- 230000009183 running Effects 0.000 description 3
- IJRKANNOPXMZSG-SSPAHAAFSA-N 2-hydroxypropane-1,2,3-tricarboxylic acid;(2r,3s,4r,5r)-2,3,4,5,6-pentahydroxyhexanal Chemical compound OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O.OC(=O)CC(O)(C(O)=O)CC(O)=O IJRKANNOPXMZSG-SSPAHAAFSA-N 0.000 description 2
- QAOWNCQODCNURD-UHFFFAOYSA-N Sulfuric acid Chemical compound OS(O)(=O)=O QAOWNCQODCNURD-UHFFFAOYSA-N 0.000 description 2
- 238000005516 engineering process Methods 0.000 description 2
- 239000007791 liquid phase Substances 0.000 description 2
- 238000004237 preparative chromatography Methods 0.000 description 2
- 239000000243 solution Substances 0.000 description 2
- 238000007445 Chromatographic isolation Methods 0.000 description 1
- 235000005979 Citrus limon Nutrition 0.000 description 1
- 244000131522 Citrus pyriformis Species 0.000 description 1
- RFSUNEUAIZKAJO-ARQDHWQXSA-N Fructose Chemical compound OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O RFSUNEUAIZKAJO-ARQDHWQXSA-N 0.000 description 1
- 229930091371 Fructose Natural products 0.000 description 1
- 239000005715 Fructose Substances 0.000 description 1
- 230000005526 G1 to G0 transition Effects 0.000 description 1
- 244000131316 Panax pseudoginseng Species 0.000 description 1
- 235000005035 Panax pseudoginseng ssp. pseudoginseng Nutrition 0.000 description 1
- 235000003140 Panax quinquefolius Nutrition 0.000 description 1
- 235000009754 Vitis X bourquina Nutrition 0.000 description 1
- 235000012333 Vitis X labruscana Nutrition 0.000 description 1
- 240000006365 Vitis vinifera Species 0.000 description 1
- 235000014787 Vitis vinifera Nutrition 0.000 description 1
- 239000002253 acid Substances 0.000 description 1
- 238000013528 artificial neural network Methods 0.000 description 1
- 230000009286 beneficial effect Effects 0.000 description 1
- 238000004364 calculation method Methods 0.000 description 1
- 238000001311 chemical methods and process Methods 0.000 description 1
- 238000013375 chromatographic separation Methods 0.000 description 1
- 238000010924 continuous production Methods 0.000 description 1
- 238000007796 conventional method Methods 0.000 description 1
- 230000001419 dependent effect Effects 0.000 description 1
- 238000010586 diagram Methods 0.000 description 1
- 238000010790 dilution Methods 0.000 description 1
- 239000012895 dilution Substances 0.000 description 1
- 201000006549 dyspepsia Diseases 0.000 description 1
- 235000008434 ginseng Nutrition 0.000 description 1
- 238000009776 industrial production Methods 0.000 description 1
- 238000002955 isolation Methods 0.000 description 1
- 238000005259 measurement Methods 0.000 description 1
- 238000003032 molecular docking Methods 0.000 description 1
- 238000011017 operating method Methods 0.000 description 1
- 230000000704 physical effect Effects 0.000 description 1
- 229920005862 polyol Polymers 0.000 description 1
- 150000003077 polyols Chemical class 0.000 description 1
- 238000001179 sorption measurement Methods 0.000 description 1
- 238000010998 test method Methods 0.000 description 1
- 238000005406 washing Methods 0.000 description 1
Classifications
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- G—PHYSICS
- G06—COMPUTING; CALCULATING OR COUNTING
- G06F—ELECTRIC DIGITAL DATA PROCESSING
- G06F30/00—Computer-aided design [CAD]
- G06F30/20—Design optimisation, verification or simulation
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- Engineering & Computer Science (AREA)
- Physics & Mathematics (AREA)
- Theoretical Computer Science (AREA)
- Computer Hardware Design (AREA)
- Evolutionary Computation (AREA)
- Geometry (AREA)
- General Engineering & Computer Science (AREA)
- General Physics & Mathematics (AREA)
- Treatment Of Liquids With Adsorbents In General (AREA)
Abstract
The present invention relates to a kind of Simulated Moving Bed Chromatography process simulations, the analogue system is made of the Matlab instruction set of system parameter file, output destination file and the link system parameter file and the output destination file, the system parameter file and the output destination file are with the storage of Excel format, the Matlab instruction set includes read module, emulation module and output module, and the read module is used to read whole parameters in the system parameter file；The emulation module application many algorithms calculate according to the parameter and generate the Simulated Moving Bed Chromatography processes result；The result is stored in the output destination file by the output module.System of the invention has friendly interface, and easily operated advantage efficiently, quickly and accurately can carry out simulation optimization to Simulated Moving Bed Chromatography process, accelerate the development efficiency of Simulated Moving Bed Chromatography technical process.
Description
Technical field
The present invention relates to a kind of Chemical Processes Simulation systems of optimization, specifically, are related to a kind of Simulated Moving Bed Chromatography
Process simulation.
Background technique
Simulation moving bed (simulated moving bed, SMB) chromatographic technique is developed on the basis of moving bed
The novel modernization isolation technics come has the characteristics that continuous production, saving material consumption, separative efficiency are high, being widely used in
And biological-pharmacy.For example, the application example earliest as Simulation moving bed uses simulation during production of sugar polyol
The chromatographic isolation that moving bed technique prepares the separating-purifying efficiency of fructose and glucose than general industry is higher by 40%.
The effect separated using Simulated Moving Bed Chromatography technology is dependent on the operation of continuous system, the space of column system
Reciprocation (such as macroscopic property and kinetics of the substance to be separated in filler of structure, filler and material to be separated system
Matter).That is, the optimization of Simulated Moving Bed Chromatography technique needs while considering the physical property condition of quasi- separation system, production dress
The device parameter and operating procedure set.Since input parameter is more, and each parameter may have nonlinear association, it is difficult to intuitively
Final separating effect is deduced from input parameter, or carrys out operation conditions optimization accordingly.
The conventional method that Simulated Moving Bed Chromatography technique optimizes is groped by a large amount of experiment, is taken time and effort, and
The result of acquisition is not necessarily optimal.Academia it has been reported that optimized by modeling, for example, by using genetic algorithm and
The algorithm that neural network combines obtains ideal operating condition, and (the soft sensor modeling emulation of Li Ling etc., Simulated Moving-Bed Parex Process are ground
Study carefully, computer and applied chemistry, 2014,31 (11): 1298-1302).However, these are for experiment operator, model
It is excessively complicated with calculating process, it is difficult to understand and master and be adjusted.It is therefore desirable to develop a kind of user friendly and be easy to grasp
The analogue system of work.
Summary of the invention
The present invention provides a kind of Simulated Moving Bed Chromatography process simulation of globality, and the analogue system is joined by system
The Matlab instruction set group of number file, output destination file and the link system parameter file and the output destination file
At；
Wherein, the system parameter file and the output destination file are with the storage of Excel format, the system parameter text
Part includes the behaviour of basic column parameter, the thermodynamic parameter of separation mixture, the kinetic parameter of separation mixture and mobile bed apparatus
Make boundary；Wherein, the output destination file includes Optimum Operation time and each area's flow velocity；
Wherein, the Matlab instruction set includes read module, emulation module and output module, and the read module is used for
Read whole parameters in the system parameter file；The emulation module application Chromatography Models formula, Chromatography Models discretization
Method, ordi-nary differential equation solving method, Simulation moving bed operation logic and genetic algorithm optimization method, according to the parameter meter
It calculates and generates the Simulated Moving Bed Chromatography processes result；The result is stored in the output result text by the output module
Part.
Optimization Simulation system provided by the invention solves module and figure using model solution module, the optimal solution in Matlab
Shape module, and carrier is output and input using Excel file as data, Simulated Moving Bed Chromatography separation process.Of the invention
System has the following beneficial effects: that user interface is friendly, is easy to input, and is convenient for display optimization result.By way of modeling into
Row optimization can efficiently, quickly and accurately emulate Simulated Moving Bed Chromatography process, improve Simulated Moving Bed Chromatography
The exploitation and optimization efficiency of technical process.By system of the invention, non-specialized-technical personnel can fast and accurately be searched out
Optimal technological parameter simultaneously is used to instruct industrial production.In addition, system of the invention can be used for carrying out technique and production to employee
Training on operation.
Detailed description of the invention
Fig. 1 is Simulated Moving-Bed Parex Process analogue system schematic diagram of the invention.
Fig. 2 shows according to embodiment of the present invention, the table of system parameter Excel file.
Fig. 3 is shown according to embodiment of the present invention, exports the table of result Excel file.
Fig. 4 shows a preferred embodiment according to the present invention, stablizes in about 11 hours system runnings of simulation charging
Afterwards, the distribution map of citric acid and concentration of glucose in each chromatographic column liquid phase of output is calculated by matlab.
Specific embodiment
The present invention that the following is further explained with reference to the attached drawings.It should be understood that the present invention is not limited to represented by the following drawings
Example.
As shown in Figure 1, in the system of the present invention, it would be desirable to the system parameter text of the parameter input Excel format of adjustment
In part, parameter is read with Matlab and carries out the Modeling Calculation of simulated moving bed technology separating effect using these parameters, is calculated
As a result still with the output of Excel format, thus by the more background program of indigestion or debugging for experiment operator
It is separated with user interface, with advantage that is easily operated and using.
In the present invention, system parameter file includes basic column parameter, the thermodynamic parameter of separation mixture, separation mixture
The operational boundaries of kinetic parameter and mobile bed apparatus.Basic column parameter includes sector number, the chromatographic column quantity of each section, column
Long and internal diameter.The thermodynamics and kinetics parameter of separation mixture includes the concentration of each component to be separated, each component in elution phase
Diffusion coefficient and mass tranfer coefficient, each section elution time.Moving bed operational boundaries parameter includes mobile bed system maximum work
Make pressure and maximum functional flow velocity.These basic parameters can be obtained from multiple channel well known in the art.For example, basic column ginseng
Number, the thermodynamic parameter of separation mixture, separation mixture kinetic parameter etc. can by by document (H.Schmidt-Traub,
M.Schulte and A.Seidel-Morgenstern.Preparative Chromatography,Second
Edition.2012, Wiley-VCH, Germany, 215-307) report test method in obtain；The operation of mobile bed apparatus
The information such as boundary can provide acquisition by device manufacturer.Fig. 2 shows in the implementation separated to citric acid and glucose
In mode, the system parameter file that is inputted.
Preferably, the parameter further includes the figure of the filename for exporting Excel file, gauge outfit, and/or motion graphics file
The information such as note, reference axis, with convenient to use.
In the present invention, the Matlab instruction set includes read module, emulation module and output module.Wherein, described
Read module and output module realize the input (system parameter file) and output (output of backstage matlab file and user terminal
Destination file) docking.Read module stores each corresponding parameter in system parameter file in a manner of variable, and is supplied to
Emulation module.Emulation module application Chromatography Models formula, Chromatography Models discretization method, ordi-nary differential equation solving method, simulation
Moving bed operation logic and genetic algorithm optimization method calculate according to the parameter and generate the Simulated Moving Bed Chromatography process
As a result；The result is stored in the output destination file by the output module.
Specifically, reading the parameter in system parameter file first, Chromatography Models formula, Chromatography Models discretization are utilized
Method, ordi-nary differential equation solving method, in Simulation moving bed operation logic counting system each component real-time concentration, and be based on
" Vector triangle " selects reasonable operating point.Calculated result is compared with practical operation result and to pass through genetic algorithm excellent
Change boundary condition and primary condition.Fig. 2 shows what glucose-citric acid mixed system boundary condition and primary condition were optimized
System parameter is (for example, SSMB calculates the selection of the step-length of time, the finite element number, model that chromatographic column radial direction divides
Deng).The Chromatography Models formula, Chromatography Models discretization method, ordi-nary differential equation solving method, Simulation moving bed operation logic
And the principle and method of " Vector triangle " refer to document (Marco Mazzotti, Giuseppe Storti and
Massimo Morbidelli.Optimal operation of simulated moving bed units for
nonlinear chromatographic separations.Journal of Chromatography A.1997,769:3-
24).Genetic algorithm refers to document (Bijan Medi, Monzure-Khoda Kazi and Mohammad
Amanullah.Nonlinear direct inverse method:a shortcut method for simultaneous
calibration and isotherm determination.Adsorption.2013,19:1007-1018)。
In a preferred embodiment, when emulation module is run, given time interval will in the moment system it is each
The spatial distribution of the concentration of substance carries out visualization and shows.Preferably, the result of homogeneous operation is not exported simultaneously with newly-built file
It is automatic to name, it will not repeat to cover between different output.
Embodiment
The embodiment of property as an example, the present invention, which provides, utilizes Simulated Moving Bed Chromatography process simulation of the invention
System optimizes the separation of citric acid-glucose mixed system.The parameter of analog simulation refers to Fig. 2.
In simulation separation system, the filler of chromatographic column is that resin is commercialized in the DDCI2# purchased from the big chemical industry in Zibo east.Material
The initial concentration of citric acid and glucose is 500g/L and 30g/L respectively in liquid, and eluent is 2 (w/v) % dilution heat of sulfuric acid.Root
According to basic operation logic (H.Schmidt-Traub, M.Schulte the and A.Seidel- of Simulation moving bed
Morgenstern.Preparative Chromatography,Second Edition.2012,Wiley-VCH,
Germany.190-203.), Simulation moving bed is generally divided into four functional areas, and functional areas distribution is to realize stationary phase and stream
It moves the reverse movement of phase and periodically switches, so that the column of fixed bit number can periodically realize different sectoring functions.The first step,
After citric acid and glucose are realized by flowing and with resin effect and to be separated, No. 4 column inlet feeding liquids in Section III area,
No. 1 column inlet in I area discharges the eluent containing citric acid into eluent, while from the outlet of the column of I area 1, and from the
The column outlet of the area III 5 discharges the eluent containing glucose, the knot when the eluent of No. 5 column outlets release starts to be mixed into citric acid
The beam first step, into second step.Second step, after citric acid and glucose are realized by flowing and with resin effect and to be separated,
No. 5 column inlet feeding liquids in Section III area, I area No. 2 column inlets into eluent, while from the outlet of No. 2 columns in I area
The eluent containing citric acid is discharged, and discharges the eluent containing glucose from the column outlet of Section III area 6, is discharged in No. 6 column outlets
Eluent terminate second step when starting to be mixed into citric acid, into third step.Third step passes through flowing in citric acid and glucose
And acted on resin and after realizing and separating, No. 6 column inlet feeding liquids in Section III area, I area No. 3 column inlets into elution
Liquid, while the eluent containing citric acid is discharged from the outlet of the column of I area 3, and contain grape from the column outlet release of Section III area 1
The eluent of sugar terminates third step when the eluent of No. 1 column outlet release starts to be mixed into citric acid, into the 4th step.4th
Step, No. 1 column inlet charging after citric acid and glucose are realized by flowing and with resin effect and to be separated, in Section III area
Liquid, I area No. 4 column inlets into eluent, while from the outlet of the column of I area 4 discharge the eluent containing citric acid, and from
The column outlet of Section III area 2 discharges the eluent containing glucose, when the eluent of No. 2 column outlets release starts to be mixed into citric acid
Terminate the 4th step, into the 5th step.5th step passes through flowing in citric acid and glucose and separates with resin effect realization
Afterwards, in No. 2 column inlet feeding liquids in Section III area, I area No. 5 column inlets into eluent, while going out from the column of I area 5
Eluent of the mouth release containing citric acid, and the eluent containing glucose is discharged from the column outlet of Section III area 3, it is released in No. 3 column outlets
The eluent put terminates the 5th step when starting to be mixed into citric acid, into the 6th step.6th step passes through stream in citric acid and glucose
It is dynamic and acted on resin and after realizing and separating, No. 3 column inlet feeding liquids in Section III area, in No. 6 column inlets in I area into washing
De- liquid, while the eluent containing citric acid is discharged from the outlet of the column of I area 6, and contain Portugal from the column outlet release of Section III area 4
The eluent of grape sugar terminates the 6th step when the eluent of No. 4 column outlets release starts to be mixed into citric acid, is again introduced into first
Step.It is circuited sequentially by 1-6 step.After the system is run about 11 hours, state when reaching stable, wherein " stable state " is
The concentration value of the eluent of the citric acid or glucose that refer to the column of same position number as the outlet end of same functional areas and released
Deviation is less than 0.02%.
Fig. 4 show simulation charging about 11 hours, system running stablize after, Section III area 4 column inlet feeding liquid, in I
The column inlet of area 1 goes out into eluent, from eluent of the outlet release containing citric acid of the column of I area 1, from No. 5 columns in Section III area
When mouth discharges the eluent containing glucose, the distribution of citric acid and concentration of glucose in each chromatographic column liquid phase.
After system reaches stable state, result is exported, the project of output includes based in aforementioned " Vector triangle "
The concentration and yield of each each substance of column outlet under the M1-M4 value of definition, the corresponding operating condition of difference M1-M4 value, and
The product purity and yield, resin service efficiency and solvent consumption reached when stable state separates under optimal conditions.Fig. 3 is shown in system
In optimization process, under different operating conditions, the concentration of citric acid and glucose, lemon in extract liquor after system running is stablized
The purity and the rate of recovery, mobile phase consumption and resin service efficiency of acid and glucose.Preferably, the result that homogeneous is not run
It is exported with newly-built file and is named automatically, will not repeat to cover between different output.
The theoretical optimized parameter provided using optimization Simulation system of the invention is carried out the result that actual measurement obtains and should
The citric acid that modeling obtains calculates the rate of recovery and the residual sugar rate of recovery is consistent.
Claims (10)
1. a kind of Simulated Moving Bed Chromatography process simulation, which is characterized in that the analogue system is by system parameter file, defeated
The Matlab instruction set composition of destination file and the link system parameter file and the output destination file out, in which:
The system parameter file and the output destination file are with the storage of Excel format, wherein the system parameter file packet
Include the operation side of basic column parameter, the thermodynamic parameter of separation mixture, the kinetic parameter of separation mixture and mobile bed apparatus
Boundary；The output destination file includes Optimum Operation time and each area's flow velocity；
The Matlab instruction set includes read module, emulation module and output module, wherein the read module is for reading
Whole parameters in the system parameter file；The emulation module application Chromatography Models formula, Chromatography Models discretization method,
Ordi-nary differential equation solving method, Simulation moving bed operation logic and genetic algorithm optimization method are calculated according to the parameter and are given birth to
At the Simulated Moving Bed Chromatography processes result；The result is stored in the output destination file by the output module.
2. analogue system as described in claim 1, wherein in the system parameter file, the basic column parameter packet
Include chromatographic column quantity, column length and the internal diameter of sector number, each section；Wherein, the thermodynamic parameter and dynamics of the separation mixture
Parameter includes the elution of the diffusion coefficient and mass tranfer coefficient, each section of the concentration of each component to be separated, each component in elution phase
Time；Wherein, the moving bed operational boundaries parameter includes mobile bed system maximum working pressure (MWP) and maximum functional flow velocity.
3. analogue system as claimed in claim 1 or 2, wherein the system parameter further includes the file for exporting destination file
Name, gauge outfit.
4. analogue system as claimed in any one of claims 1-3, the emulation module is based on " Vector triangle " selection and closes
The operating point of reason.
5. such as analogue system of any of claims 1-4, wherein the emulation module at runtime, given
The spatial distribution of the concentration of each substance in the moment system is carried out visualization and shown by time interval.
6. analogue system as claimed in claim 5, wherein the visualization is shown as showing substance to be separated in a graphic format
Real-time concentration, it is preferable that the caption and coordinate axis information of the dynamical output file are recorded in the system parameter file.
7. such as analogue system of any of claims 1-6, wherein the output destination file in each run with
Newly-built file is exported and is named automatically, does not repeat to cover between different output.
8. including M1-M4 value and the M1- in the output file such as analogue system of any of claims 1-7
Reach when stable state separates under the concentration of each each substance of column outlet and yield and optimal conditions when the corresponding stable state of M4 value
Product purity and yield, resin service efficiency and solvent consumption.
9. such as application of the analogue system of any of claims 1-8 in terms of chemistry and biological-pharmacy production.
10. as analogue system of any of claims 1-8 chemistry and during biological-pharmacy to employee into
Application in terms of row technique and production operation training.
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Citations (3)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN104573143A (en) * | 2013-10-12 | 2015-04-29 | 苏州热工研究院有限公司 | Pipe network simulation system and hydraulic calculation method |
| CN105631060A (en) * | 2014-10-29 | 2016-06-01 | 广州汽车集团股份有限公司 | Static load analysis data processing method for automobile chassis suspension system |
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2017
- 2017-09-08 CN CN201710805360.2A patent/CN109408841A/en active Pending
Patent Citations (3)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN104573143A (en) * | 2013-10-12 | 2015-04-29 | 苏州热工研究院有限公司 | Pipe network simulation system and hydraulic calculation method |
| CN106794390A (en) * | 2014-06-06 | 2017-05-31 | 佐治亚科技研究公司 | For the method for operation simulation moving-burden bed reactor |
| CN105631060A (en) * | 2014-10-29 | 2016-06-01 | 广州汽车集团股份有限公司 | Static load analysis data processing method for automobile chassis suspension system |
Non-Patent Citations (1)
| Title |
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| 郭小晓: "模拟移动床色谱过程分析与系统优化", 《中国优秀硕士学位论文全文数据库工程科技Ⅰ辑》 * |
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Application publication date: 20190301 |