CN108038307A - One kind simulation desulfurizing agent movement locus method in molten iron - Google Patents
One kind simulation desulfurizing agent movement locus method in molten iron Download PDFInfo
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- CN108038307A CN108038307A CN201711309379.4A CN201711309379A CN108038307A CN 108038307 A CN108038307 A CN 108038307A CN 201711309379 A CN201711309379 A CN 201711309379A CN 108038307 A CN108038307 A CN 108038307A
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- desulfurizing agent
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- movement locus
- molten iron
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- G06F30/20—Design optimisation, verification or simulation
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- G—PHYSICS
- G06—COMPUTING; CALCULATING OR COUNTING
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- Refinement Of Pig-Iron, Manufacture Of Cast Iron, And Steel Manufacture Other Than In Revolving Furnaces (AREA)
Abstract
The invention discloses one kind to simulate desulfurizing agent movement locus method in molten iron, establishes three-dimensional system of coordinate in LAMMPS software modeling environments first, the size based on hot-metal bottle, establishes the simulation box of a cylindrical type；Multiple region is created in similation box, creates and molecule is created in region after completing, each region is then categorized into a group；The setting of relevant parameter is carried out by LAMMPS；The Molecular Dynamics Model finished writing is imported into LAMMPS softwares by Ubuntu, generates the micromodel of hot-metal bottle and desulfurizing agent；The stirring flow field parameter simulated as needed, corresponding stirring flow field parameter is inputted by fix orders in micromodel, corresponding analog result is obtained after operation, data processing is carried out to analog result by Matlab softwares, and visualization processing is carried out by VMD, obtain accordingly stirring desulfurizing agent movement locus in hot-metal bottle under flow field parameter.The present invention simulates desulfurizing agent movement locus in molten iron on macro-size from microcosmic, simple efficient.
Description
Technical field
The invention belongs to Desulphurization of Pig Iron field, is related to a kind of motion track research method of desulfurizing agent in molten iron,
Desulfurizing agent movement locus method in molten iron is simulated more particularly to one kind.
Background technology
Molten iron mechanical agitation desulfuration is that production high-quality steel especially specific use steel (such as aircraft carrier clamping plate steel) and height is attached
The process of value added steel (such as silicon steel) indispensability, and one of key technology of clean steel production process, have to improving steel-making quality
Highly important meaning, therefore in order to preferably realize the effect of desulfurizing iron, it will usually to desulfurizing agent before practical sulphur removal
Motion conditions in molten iron are simulated, and are found the size of desulfurization blender when meeting desulfurizing agent diffusion profile maximum and are turned
Speed.In the prior art, desulfurizing agent movement locus analogy method mainly has two methods of Fluent fluid simulations and image procossing.
Hot-metal bottle and blender, the three-dimensional mould of desulfurizing agent are mainly produced by 3 d modeling software with Fluent simulations
Type is then introduced into Ansys, and the movement of desulfurizing agent is obtained by inputting the parameter such as the rotating speed of molten iron blender and the attribute of molten iron
Track.
The method of image procossing is then to obtain final result by carrying out desulfurizing iron experiment, it is by manufacturing not
Various sizes of hot-metal bottle is simulated with the cylindrical transparent jar of size, various sizes of blender is then manufactured, finally exists
Molten iron is replaced with water, with desulfurizing agent is replaced with coloured little particle, is tested in the lab：Observation is in different rulers
Very little hot-metal bottle and blender spread condition of the desulfurizing agent in molten iron and are filmed with high speed camera at work, in the later stage
The area after desulfurizing agent is spread in water in photo is calculated than obtaining the spread condition of desulfurizing agent with image processing techniques.
The studies above method is all built upon on macro-size, and spread condition of the desulfurizing agent in molten iron can be carried out
Qualitative or quantitative analysis, due to being related to hot-metal bottle size, blender ruler when simulating movement locus of the desulfurizing agent in molten iron
Very little, all multivariables of agitator speed, need to re-establish threedimensional model or need to re-start reality when these variable changes
Test, process is sufficiently complex, therefore macro -examination method has a great impact the efficiency of simulation.Molecular dynamics can be ground in macroscopic view
Study carefully and one kind is established between microcosmic Simulation contact, the third science of new century in addition to theory analysis and Germicidal efficacy when being considered
Means.Using molecular dynamics as theoretical direction binding molecule dynamics software, also lack at present from the angle of microcosmic Simulation
Analyze the correlation technique of movement locus of the desulfurizing agent in molten iron.
The content of the invention
It is an object of the invention to provide a kind of simulation side of brand-new desulfurizing agent movement locus in molten iron desulphurization stirring
Method, what the method can be fast and convenient when molten iron tank, molten iron agitator size, molten iron agitator speed change repaiies
Change model parameter.
Technical solution is used by order to realize the above method：
One kind simulation desulfurizing agent movement locus method in molten iron, it is characterised in that：It is soft that this method is based on molecular dynamics
Part LAMMPS establishes the micromodel of hot-metal bottle and desulfurizing agent, comprises the following steps：
Step 1：Three-dimensional system of coordinate is established in LAMMPS software modeling environments first, the size based on hot-metal bottle, to sit
Mark origin is basic point, and simulation box, the simulation box for establishing a cylindrical type represent hot-metal bottle model；
Step 2：Multiple spherical region, region mono- are created in the similation box based on step 1
A space geometry region, represents the initial position of desulfurizing agent, creates and molecule is created in region after completing, after the completion of establishment
Molecule in each region is the sorbent particle simulated, each region then is categorized into one
group；
Step 3：The setting of relevant parameter is carried out to the micromodel of hot-metal bottle and desulfurizing agent by LAMMPS, completes to divide
Subdynamics model writes setting；
Step 4：The Molecular Dynamics Model finished writing is imported into LAMMPS softwares by Ubuntu, hot-metal bottle is generated and takes off
The micromodel of sulphur agent；
Step 5：The stirring flow field parameter simulated as needed, is stirred accordingly in micromodel by fix orders input
Flow field parameter is mixed, corresponding analog result is obtained after operation and obtains lammpstrj files and log files；
Step 6：The log files obtained based on Matlab softwares to step 5 carry out data processing, and pass through VMD processing
Lammpstrj files, carry out visualization processing to the movement locus of desulfurizing agent, obtain accordingly stirring desulfurizing agent under flow field parameter and exist
Movement locus in hot-metal bottle.
As an improvement, in step 3, the parameter setting of micromodel is selected including intermolecular potential energy, dimension selection, if
Bond distance is put, periodic boundary condition, is ancestor's selection, sets step-length and step number, intermolecular field of force coefficient, lattice structure and meter
The setting of calculation method.
As an improvement, in step 5, the flow field parameter includes flow velocity, temperature and the liquid level of agitator size and molten iron
Height parameter.
As an improvement, the computational methods selection L-J gesture, L-J is used for describing two between neutral atom or molecule the most
Interaction model, formula is as follows：
ε is gesture well depth, reacts the power of two atoms or intermolecular adelphotaxy；σ is original when effect gesture is equal to 0
Sub or intermolecular distance, r be calculating process in atom or intermolecular distance, VLJFor L-J gesture.
As an improvement, modification hot-metal bottle size and stirring flow field parameter, obtain in different rulers according to step 1 to step 6
The micromodel of very little and stirring flow field parameter hot-metal bottle and desulfurizing agent, analyzes the situation in different sizes and stirring flow field parameter
Under, changing rule that desulfurizing agent is spread in molten iron.
The beneficial effects of the invention are as follows：
The present invention simulates desulfurizing agent movement locus in molten iron on macro-size, the life to high-quality steel from microcosmic
Production provides the simulation means of technological improvement, and the method that the present invention uses more really has reacted desulfurizing agent in iron underwater exercise
Mechanical property, pair needs to change parameter from the movement of different sizes and condition simulation, without modeling again, it is simple efficiently.
Brief description of the drawings
Fig. 1 is FB(flow block) of the present invention.
Embodiment
The present invention is illustrated below in conjunction with the accompanying drawings.
It should be noted that provided in the present invention definition English be subject to the present invention definition, do not provide definition according to
Common meaning understanding, the LAMMP i.e. molecular dynamics software that the present invention uses；Simulation box represent hot-metal bottle model,
Abbreviation hot-metal bottle；Region defines a space geometry region, is the space containing desulfurizing agent initial position defined in this method
Region；The atom included in the region regions of definition is defined as a group by group, is made for applying to the atom in region
Firmly；Fix is an order of LAMMPS softwares, which can apply constraint to one group of atom；VMD is that a molecule is visual
Change program, for the micromodel for generating hot-metal bottle and desulfurizing agent to be carried out visualization processing；Lammpstrj files contain various
The output file of coordinate data；Log files are syslog file；Matlab is the business that MathWorks companies of the U.S. produce
Mathematical software, for the advanced techniques computational language of algorithm development, data visualization, data analysis and numerical computations and interaction
Formula environment.
As shown in Figure 1, a kind of simulation desulfurizing agent movement locus method in molten iron, this method are based on molecular dynamics software
LAMMPS establishes the micromodel of hot-metal bottle and desulfurizing agent, comprises the following steps：
Step 1：Three-dimensional system of coordinate is established in LAMMPS software modeling environments first, the size based on hot-metal bottle, to sit
It is basic point to mark origin (0,0,0), and simulation box, the simulation box for establishing a cylindrical type represent hot-metal bottle mould
Type；
Step 2：Multiple spherical region, region mono- are created in the similation box based on step 1
A space geometry region, represents the initial position of desulfurizing agent, creates and molecule is created in region after completing, after the completion of establishment
Molecule in each region is the sorbent particle simulated, each region then is categorized into one
group；
Step 3：The setting of relevant parameter is carried out to the micromodel of hot-metal bottle and desulfurizing agent by LAMMPS；
Step 4：The Molecular Dynamics Model finished writing is imported into LAMMPS softwares by Ubuntu, hot-metal bottle is generated and takes off
The micromodel of sulphur agent；
Step 5：The stirring flow field parameter simulated as needed, is stirred accordingly in micromodel by fix orders input
Flow field parameter is mixed, corresponding analog result is obtained after operation and obtains lammpstrj files and log files, the flow field parameter
Flow velocity, temperature and liquid level parameter including agitator size and molten iron；
Step 6：The log files obtained based on Matlab softwares to step 5 carry out data processing, and pass through VMD processing
Lammpstrj files, carry out visualization processing to the movement locus of desulfurizing agent, obtain accordingly stirring desulfurizing agent under flow field parameter and exist
Movement locus in hot-metal bottle.
Step 7：Hot-metal bottle and desulfurizing agent size are changed, is obtained according to step 1 to step 6 in different sizes and stirring
The hot-metal bottle of flow field parameter and the micromodel of desulfurizing agent, are analyzed in the case of different sizes and stirring flow field parameter, desulfurization
The changing rule that agent is spread in molten iron.
The parameter setting of micromodel is selected including intermolecular potential energy, and dimension selection, sets bond distance, periodic boundary bar
Part, is ancestor's selection, sets step-length and step number, intermolecular field of force coefficient, the setting of lattice structure and computational methods.
The computational methods select L-J gesture, and L-J is used for describing two interactions between neutral atom or molecule the most
Model, formula are as follows：
ε is gesture well depth, reacts the power of two atoms or intermolecular adelphotaxy；σ is original when effect gesture is equal to 0
Sub or intermolecular distance, r be calculating process in atom or intermolecular distance, VLJFor L-J gesture.
Claims (5)
1. one kind simulation desulfurizing agent movement locus method in molten iron, it is characterised in that：This method is based on molecular dynamics software
LAMMPS establishes the micromodel of hot-metal bottle and desulfurizing agent, comprises the following steps：
Step 1：Three-dimensional system of coordinate is established in LAMMPS software modeling environments first, the size based on hot-metal bottle is former with coordinate
Point is basic point, establishes the simulation box of a cylindrical type, and simulation box represent hot-metal bottle model；
Step 2：Multiple spherical region are created in the similation box based on step 1, region is a sky
Between geometric areas, represent the initial position of desulfurizing agent, create and molecule is created in region after completing, it is each after the completion of establishment
Molecule in a region is the sorbent particle simulated, each region then is categorized into a group；
Step 3：The setting of relevant parameter is carried out to the micromodel of hot-metal bottle and desulfurizing agent by LAMMPS, completes Molecule Motion
Mechanical model writes setting；
Step 4：The Molecular Dynamics Model finished writing is imported into LAMMPS softwares by Ubuntu, generates hot-metal bottle and desulfurizing agent
Micromodel；
Step 5：The stirring flow field parameter simulated as needed, corresponding stirring stream is inputted in micromodel by fix orders
Field parameters, obtain corresponding analog result and obtain lammpstrj files and log files after operation；
Step 6：The log files obtained based on Matlab softwares to step 5 carry out data processing, and pass through VMD processing
Lammpstrj files, carry out visualization processing to the movement locus of desulfurizing agent, obtain accordingly stirring desulfurizing agent under flow field parameter and exist
Movement locus in hot-metal bottle.
A kind of 2. simulation desulfurizing agent movement locus method in molten iron as claimed in claim 1, it is characterised in that：Step 3
In, the parameter setting of micromodel is selected including intermolecular potential energy, and dimension selection, sets bond distance, periodic boundary condition, is
Ancestor's selection, sets step-length and step number, intermolecular field of force coefficient, the setting of lattice structure and computational methods.
A kind of 3. simulation desulfurizing agent movement locus method in molten iron as claimed in claim 2, it is characterised in that：Step 5
In, the flow field parameter includes agitator size and flow velocity, temperature and the liquid level parameter of molten iron.
A kind of 4. simulation desulfurizing agent movement locus method in molten iron as claimed in claim 3, it is characterised in that：The calculating
Method choice L-J gesture, L-J are used for describing two interaction models between neutral atom or molecule the most, and formula is as follows：
<mrow>
<msub>
<mi>V</mi>
<mrow>
<mi>L</mi>
<mi>J</mi>
</mrow>
</msub>
<mo>=</mo>
<mn>4</mn>
<mi>&epsiv;</mi>
<mo>&lsqb;</mo>
<msup>
<mrow>
<mo>(</mo>
<mfrac>
<mi>&sigma;</mi>
<mi>r</mi>
</mfrac>
<mo>)</mo>
</mrow>
<mn>12</mn>
</msup>
<mo>-</mo>
<msup>
<mrow>
<mo>(</mo>
<mfrac>
<mi>&sigma;</mi>
<mi>r</mi>
</mfrac>
<mo>)</mo>
</mrow>
<mn>6</mn>
</msup>
<mo>&rsqb;</mo>
</mrow>
ε is gesture well depth, reacts the power of two atoms or intermolecular adelphotaxy；σ be effect gesture be equal to 0 when atom or
Intermolecular distance, r be calculating process in atom or intermolecular distance, VLJFor L-J gesture.
5. a kind of simulation desulfurizing agent movement locus method in molten iron as described in Claims 1-4 any one, its feature exist
In：Hot-metal bottle size and stirring flow field parameter are changed, is obtained according to step 1 to step 6 in different sizes and stirring flow field ginseng
Several hot-metal bottles and the micromodel of desulfurizing agent, are analyzed in the case of different sizes and stirring flow field parameter, desulfurizing agent is in iron
The changing rule spread in water.
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| CN201711309379.4A CN108038307B (en) | 2017-12-11 | 2017-12-11 | Method for simulating movement locus of desulfurizer in molten iron |
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Cited By (2)
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| CN110516366A (en) * | 2019-08-28 | 2019-11-29 | 北京工业大学 | A kind of modeling method based on random bead micro-mixer in ultra performance liquid chromatography analysis |
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| CN109554513A (en) * | 2018-11-30 | 2019-04-02 | 中冶南方工程技术有限公司 | The method for obtaining molten iron spraying desulfurization spraying desulfurizing agent diameter of conveying pipe |
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| CN110516366A (en) * | 2019-08-28 | 2019-11-29 | 北京工业大学 | A kind of modeling method based on random bead micro-mixer in ultra performance liquid chromatography analysis |
| CN110516366B (en) * | 2019-08-28 | 2023-04-07 | 北京工业大学 | Modeling method based on random microbead micromixer in ultra-high performance liquid chromatography analysis |
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