CN112699618A - Numerical simulation method for in-situ leaching process of ionic rare earth ore - Google Patents
Numerical simulation method for in-situ leaching process of ionic rare earth ore Download PDFInfo
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Abstract
The invention provides a numerical simulation method for an in-situ ore leaching process of an ionic rare earth ore, which is used for simulating the numerical value of a chemical reaction of the in-situ ore leaching process of the rare earth ore based on computational fluid dynamics numerical simulation, and can conveniently, efficiently, truly and objectively reflect the change process of each physical field accompanied by the chemical reaction generated in the rare earth leaching process, thereby providing an effective reference path for the improvement and optimization of the conventional rare earth ore leaching technology; on the basis, a series of parameter variable researches can be carried out, so that valuable basis is provided for improving the leaching rate of rare earth, improving the resource utilization rate and reducing the environmental risk.
Description
Technical Field
The invention relates to the technical field of computer numerical simulation, in particular to a numerical simulation method for an in-situ leaching process of ionic rare earth ore.
Background
Mineral resources belong to nonrenewable resources, ionic rare earth ore in China is rich in various rare earth elements, has complete varieties and rare world, and is more valuable mineral resources in China. At present, the development and utilization of ionic rare earth ore enter a new stage, on one hand, along with the promotion of the industrialization process of high technology, new materials and new energy in the world, the demand of various countries on rare earth resources is increased day by day, especially, the demand and the daily increase of medium and heavy rare earth elements become strategic resources of various countries, and thus, the supply and demand contradiction of rare earth raw materials is increased day by day. On the other hand, along with the long-time extensive exploitation of the ionic rare earth ore resources, the leaching rate of the rare earth ions of the current ionic rare earth raw ore is only 55-70%, that is, about 40% of the rare earth ions remain underground after one in-situ ore leaching is finished, so that a low-grade, difficult-to-leach and high-discreteness rare earth ore deposit is formed, the difficulty of in-situ exploitation is increased sharply, and the method increasingly becomes an obstacle for restricting the sustainable development of the rare earth industry. How to extract the residual underground rare earth to the maximum extent in situ is a strategic requirement for prolonging the service life of mines, maintaining the stable yield of the rare earth in China and relieving the contradiction between supply and demand in China, is the focus of people's attention, and has become an important subject with theoretical research and practical engineering application prospects. In order to fundamentally solve the problems of limited capability of in-situ mining residual rare earth and potential safety environment hazards, a basic theoretical system and key technical research of in-situ leaching and recovering the residual rare earth of the ionic rare earth ore are urgently needed to be developed, and the capability of in-situ mining the residual rare earth is strongly improved through a new theory and a new method.
The leaching research of the ion type rare earth ore is mainly based on physical experiments, the physical experiments have the advantages of good intuition, generally real and reliable experimental results and the like, but the defects of long period, difficulty in describing the essential rule of the leaching process and the like exist. In recent years, with the development of computer technology, Computational Fluid Dynamics (CFD) is becoming another means of research by researchers. Computational Fluid Dynamics (CFD) is an analysis of systems involving fluid motion and associated physical phenomena, such as heat and mass transfer processes, by computer numerical calculations and graphical displays. The basic idea of CFD can be summarized as: the original fields of continuous physical quantity in time domain and space domain, such as speed field and pressure field, are replaced by a set of variable values on a series of finite discrete points, an algebraic equation set about the relation between field variables on the discrete points is established through a certain principle and mode, and then the algebraic equation set is solved to obtain the approximate value of the field variables. CFD can be viewed as a numerical simulation of flow under the control of basic flow equations (mass conservation equation, momentum conservation equation, energy conservation equation). Through the numerical simulation, the distribution of basic physical quantities (such as speed, pressure, temperature, concentration and the like) at various positions in a flow field and the change of the physical quantities along with time can be obtained, and the vortex distribution characteristic, the cavitation characteristic, the desulfurization area and the like can be determined. Other relevant physical quantities, such as torque, hydraulic loss, efficiency, etc., of the rotary fluid machine can also be calculated accordingly. The CFD method well combines the advantages of an experimental measurement method and a theoretical analysis method, simplifies the real flow field process, is convenient for solving field parameters, can ensure the accuracy of the solved result, and has a series of advantages of small occupied area of experimental equipment, simple requirement on experimental conditions, short experimental period, less occupied funds, more accurate result and the like compared with the traditional experimental method. By means of computational fluid mechanics numerical simulation, changes of a seepage field and a concentration field in the rare earth leaching process and main factors influencing leaching efficiency can be accurately obtained, and theoretical basis is provided for improving the leaching efficiency of the ionic rare earth ore and reducing environmental risk pressure. The rare earth leaching involves a series of complex reaction processes such as mass diffusion and heterogeneous chemical reaction. In the leaching process, the size of ore particles, the concentration of leaching solution, the flow rate of the leaching solution and the like have obvious influence on the leaching process. The key to the research of the ore leaching process lies in the establishment of a numerical model, and the accuracy of the establishment of the numerical model directly influences whether the real flow field motion state can be reflected or not. In recent years, researchers have conducted some research on ionic rare earth ores by using numerical simulation techniques. The Ning Zhao et al establishes an in-situ leaching model by using a numerical simulation method, simulates the leaching process, but does not consider chemical reaction. Wu Tui et al established a rare earth leaching process model by using an LBM method, the model can simulate the transfer process of solutes in the rare earth leaching process, but does not take the influence of chemical reaction on the transfer process into consideration, and the model occupies larger computing resources and is not suitable for being applied to engineering problems. The rare earth leaching process is a complex multi-phase flow multi-physical field process, and relates to mass transfer, component migration and space structure change caused by chemical reaction.
Disclosure of Invention
Based on the above, in order to solve the problem that the complex processes of multiphase flow and mass transfer, component migration, space structure change and the like in the rare earth leaching process are difficult to truly reflect in the prior art, the invention provides a numerical simulation method for the in-situ leaching process of the ionic rare earth ore, which has the following specific technical scheme:
a numerical simulation method for an in-situ leaching process of ionic rare earth ore is used for simulating the numerical value of a chemical reaction of the in-situ leaching process of the rare earth ore based on computational fluid dynamics numerical simulation, and comprises the following steps of:
(1) establishing a geometric model of the rare earth ore leaching process according to the rare earth ore structural form, dividing liquid-phase and solid-phase calculation areas through CAE pretreatment software, and performing grid division on the calculation areas;
(2) determining a basic governing equation according to the meshing, the basic governing equation comprising: a continuity equation, a momentum equation, an energy equation and a component equation are established, and a component transport model and an Euler model are established;
(3) defining materials and material attributes of the fixed rare earth ore and the leaching agent before reaction and the fixed rare earth ore and the rare earth solution ions after reaction;
(4) two mixed phases were created: liquid phase and solid phase, wherein the leaching agent and the reacted rare earth solution ions are defined as the liquid phase, the rare earth ore before reaction and the rare earth ore after reaction are defined as the solid phase, and the density, specific heat, viscosity and mass diffusion coefficient of the mixed phase are defined;
(5) defining a liquid phase as a primary phase and a solid phase as a secondary phase, establishing a particle flow model of the solid phase, and setting the particle diameter, the particle viscosity and the particle stacking coefficient;
(6) defining interphase interactions including a drag model and a collision coefficient;
(7) defining a multiphase reaction, specifically comprising a multiphase chemical reaction equation, a rate equation and a kinetic equation, and compiling by fluent UDF compiling software;
(8) defining import and export boundary conditions;
(9) initial conditions are defined: flow rate of leaching agent and filling fraction of rare earth ore;
(10) discretizing the basic control equation in the step (2), and closing and solving by adopting the boundary conditions and the initial conditions defined in the step (8) and the step (9);
(11) initializing the whole calculation region, setting time step length, repeatedly iterating an algebraic equation set in the calculation region until the rare earth leaching reaction is nearly complete and the conservation law is satisfied, completing numerical simulation of the rare earth leaching reaction process, setting automatic storage, and storing the calculation result once every other certain time step length for subsequent result analysis;
(12) and (5) post-processing the calculation result to complete numerical simulation.
In the scheme, the method can conveniently, efficiently, truly and objectively reflect the change process of each physical field accompanying the chemical reaction generated in the rare earth leaching process, thereby providing an effective reference path for the improvement and optimization of the existing rare earth leaching technology; on the basis, a series of parameter variable researches can be carried out, so that valuable basis is provided for improving the leaching rate of rare earth, improving the resource utilization rate and reducing the environmental risk.
Further, the geometric model of the leaching process of the rare earth ore in the step (1) is based on the real industrial component composition of the rare earth ore, the composition of the geometric model comprises kaolin and rare earth ions, and the chemical formula of the geometric model can be represented as follows: [2SiO 2. Al2O 3.3H 2O ] 3-. RE3+, wherein RE is a general name of rare earth elements.
Further, in the step (1), a block structured grid is adopted to perform grid division on the calculation region of the geometric model.
Further, the multiphase chemical reaction equation in step (7) is reversible ion exchange reaction, which is specifically expressed as:
the kinetic equation is the change relation of the rare earth leaching rate along with time, and is specifically expressed as follows:
in the formula, alpha is the rare earth leaching rate and is expressed as:
where ε is the amount of rare earth reacted in the test0As an initial amount of rare earth, c0Is the initial concentration of the leaching agent magnesium nitrate, R is the universal gas constant, T is the ambient temperature, T is the temperature of the environmentThe reaction time is given in min.
Further, the boundary conditions in step (8) are: the wall surface is a fluid-solid coupling boundary; the lixiviant is the velocity inlet boundary and the outlet is the pressure outlet boundary.
Further, the initial conditions in step (9) are: the leaching agent flowed in from the inlet at a velocity of 0.005m/s, and the filling fraction of the rare earth ore was set to 0.6.
Further, in the step (10), a finite volume method is adopted to discretize the basic control equation in the step (2), a first-order windward format and a SIMPLE speed-pressure coupling algorithm are adopted in the calculation process, and a STANDARD format is adopted in a pressure interpolation format.
Further, the time step in step (11) is set to 0.001 second.
Further, the saving mechanism in step (11) is: at intervals, the physical quantities in each space in the entire computational domain, including density, temperature, pressure, velocity, kinetic energy, mass fraction and volume fraction of each component, are saved.
Drawings
The invention will be further understood from the following description in conjunction with the accompanying drawings. The components in the figures are not necessarily to scale, emphasis instead being placed upon illustrating the principles of the embodiments. Like reference numerals designate corresponding parts throughout the different views.
FIG. 1 is a block diagram illustrating a numerical simulation method for an in-situ leaching process of an ionic rare earth ore according to an embodiment of the present invention;
FIG. 2 is a schematic diagram of a geometric model calculation area grid of an in-situ leaching process numerical simulation method for ionic rare earth ore according to an embodiment of the present invention;
Detailed Description
In order to make the objects, technical solutions and advantages of the present invention more apparent, the present invention is further described in detail below with reference to embodiments thereof. It should be understood that the detailed description and specific examples, while indicating the scope of the invention, are intended for purposes of illustration only and are not intended to limit the scope of the invention.
It will be understood that when an element is referred to as being "secured to" another element, it can be directly on the other element or intervening elements may also be present. When an element is referred to as being "connected" to another element, it can be directly connected to the other element or intervening elements may also be present. The terms "vertical," "horizontal," "left," "right," and the like as used herein are for illustrative purposes only and do not represent the only embodiments.
Unless defined otherwise, all technical and scientific terms used herein have the same meaning as commonly understood by one of ordinary skill in the art to which this invention belongs. The terminology used herein in the description of the invention is for the purpose of describing particular embodiments only and is not intended to be limiting of the invention. As used herein, the term "and/or" includes any and all combinations of one or more of the associated listed items.
The terms "first" and "second" used herein do not denote any particular order or quantity, but rather are used to distinguish one element from another.
The numerical simulation method for the in-situ leaching process of the ionic rare earth ore in one embodiment of the invention is implemented by using FLUENT UDF custom programming on the basis of the existing mathematical physical model of large-scale computational fluid dynamics software FLUENT, so as to realize the numerical simulation of the chemical reaction in the leaching process of the rare earth ore, and comprises the following steps of:
(1) establishing a geometric model of the rare earth ore leaching process according to the rare earth ore structure form, dividing a liquid phase calculation region and a solid phase calculation region through CAE pretreatment software ICEM CFD, and performing grid division on the calculation region;
(2) determining a basic governing equation according to the meshing, the basic governing equation comprising: a continuity equation, a momentum equation, an energy equation and a component equation are established, and a component transport model and an Euler model are established;
(3) defining materials and material attributes of the fixed rare earth ore and the leaching agent before reaction and the fixed rare earth ore and the rare earth solution ions after reaction;
(4) two mixed phases were created: liquid phase and solid phase, wherein the leaching agent and the reacted rare earth solution ions are defined as the liquid phase, the rare earth ore before reaction and the rare earth ore after reaction are defined as the solid phase, and the density, specific heat, viscosity and mass diffusion coefficient of the mixed phase are defined; the properties of the mixed phase are all actual experimental measurement values;
(5) defining a liquid phase as a primary phase and a solid phase as a secondary phase, establishing a particle flow model of the solid phase, and setting the particle diameter, the particle viscosity and the particle stacking coefficient; wherein the particle diameter is set to 0.001m, and the particle viscosity is set to 1e-5kg·m-1·s-1Particle packing factor 0.63;
(6) defining interphase interactions including a drag model and a collision coefficient; wherein the drag model is defined as a syamlal-object model, and the collision coefficient is 0.9;
(7) defining a multiphase reaction, specifically comprising a multiphase chemical reaction equation, a rate equation and a kinetic equation, and compiling by fluent UDF compiling software;
(8) defining import and export boundary conditions;
(9) initial conditions are defined: flow rate of leaching agent and filling fraction of rare earth ore;
(10) discretizing the basic control equation in the step (2), and closing and solving by adopting the boundary conditions and the initial conditions defined in the step (8) and the step (9);
(11) initializing the whole calculation region, setting time step length, repeatedly iterating an algebraic equation set in the calculation region until the rare earth leaching reaction is nearly complete and the conservation law is satisfied, completing numerical simulation of the rare earth leaching reaction process, setting automatic storage, and storing the calculation result once every other certain time step length for subsequent result analysis;
(12) and (5) post-processing the calculation result to complete numerical simulation.
In the scheme, according to the characteristics of the real leaching process of the rare earth ore, the FLUENT UDF self-defined programming is applied on the basis of the existing mathematical physical model of large-scale computational fluid dynamics software FLUENT, so that the numerical simulation of the chemical reaction in the leaching process of the rare earth ore is realized.
The CFD model applied by the invention can more efficiently and conveniently realize the numerical simulation of the chemical reaction in the ore leaching process of the rare earth ore, post-process the calculation result and visually, vividly and realistically know the change condition of each physical quantity in the ore leaching process. Through verification, the change rule of information such as leaching rate in the ore leaching process obtained by the method is basically consistent with the goodness of fit of field experiment data, the reliability is high, and important theoretical significance is provided for explaining the essential rule of rare earth in-situ leaching;
after the model is verified, a series of parameter variable researches can be carried out on the basis, so that valuable basis is provided for improving the rare earth leaching rate, improving the resource utilization rate and reducing the environmental risk.
In one embodiment, the geometric model of the leaching process of the rare earth ore in the step (1) is based on the real industrial composition of the rare earth ore, the composition of which comprises kaolin and rare earth ions, and the chemical formula of which can be expressed as: [2SiO22·Al2O3·3H2O]3-·RE3+Wherein RE represents a rare earth element.
In one embodiment, as shown in fig. 2, the computational region of the geometric model is gridded by using a block structured grid in step (1), wherein the middle black frame region is the rare earth ore filling region.
In one embodiment, the governing equation in step (2) includes:
continuity equation:
the momentum equation:
energy equation:
component conservation equation:
in the formula: λ is liquid phase heat conductivity coefficient, cpThe specific heat of the liquid phase is shown, and rho is the density of the liquid phase, which are all actual values measured in industry; u. ofiAnd ujLiquid phase velocities in the i and j directions, respectively, p is pressure, pressure is defined for the system, mu is kinetic viscosity coefficient caused by thermal movement of molecules, YkIs the mass fraction of component k, Sm，Sh，SkRespectively, the liquid phase quality, material composition and energy increase rate (source) caused by rare earth ore, Rk,rIs the generation/decomposition rate of component k in reaction r, and D is the diffusion coefficient, where:
in the formula: k is a radical off,rReaction constants for reaction r, v "k,rAnd v'k,rThe equivalent coefficients of the product and the reactant, C, respectivelyj,rIs the molar concentration of the components j in the reaction r [ (. eta. ])j,rIs the forward reaction rate index (in this example, the rate index of the reactants), η ″, of component j in reaction r "j,rIs the reverse reaction rate index (in this example, the rate index of the product) of component j in reaction r, wherein,
in the formula, ArIs a pre-exponential factor, ErR is the universal gas constant for activation energy;
in one embodiment, the materials and material properties in step (3); the material comprises: [2SiO22·Al2O3·3H2O]RE、Mg(NO3)2、[2SiO2·Al2O3·3H2O]2Mg3And RE (NO)3)3Wherein RE represents a rare earth element trivalent positive ion, and the material properties include density, specific heat, viscosity, and,The initial values of the molar mass and the standard activation energy of each material attribute are actual industrial measured values;
in one embodiment, the multiphase chemical reaction equation in step (7) is reversible ion exchange reaction, which is specifically expressed as:
the kinetic equation is the change relation of the rare earth leaching rate along with time, and is specifically expressed as follows:
in the formula, alpha is the rare earth leaching rate and is expressed as:
where ε is the amount of rare earth reacted in the test0As an initial amount of rare earth, c0The initial concentration of the leaching agent magnesium nitrate, R is the universal gas constant, T is the ambient temperature, and T is the reaction time in min.
In one embodiment, the boundary conditions in step (8) are: the wall surface is a fluid-solid coupling boundary; the lixiviant is the velocity inlet boundary and the outlet is the pressure outlet boundary.
In one embodiment, the initial conditions in step (9) are: the leaching agent flowed in from the inlet at a velocity of 0.005m/s, and the filling fraction of the rare earth ore was set to 0.6.
In one embodiment, the basic governing equation in the step (2) is discretized by using a finite volume method in the step (10), a first-order windward format and a SIMPLE speed-pressure coupling algorithm are adopted in the calculation process, and a STANDARD format is adopted in a pressure interpolation format.
As shown in fig. 1, in one embodiment, the solving process in step (10) is as follows: inputting calculation parameters, starting time period, initializing a flow field, judging a model and boundary conditions, judging whether a calculation result is converged or not through mineral leaching solution-ore action chemical dynamics calculation, if not, jumping back to the steps of judging the model and the boundary conditions for recalculation, if so, starting time judgment, if the time is over, outputting a result, and if not, jumping back to the step of mineral leaching solution-ore action chemical dynamics calculation for recalculation.
In one embodiment, the time step in step (11) is set to 0.001 seconds.
In one embodiment, the saving mechanism in step (11) is: at intervals, the physical quantities in each space in the entire computational domain, including density, temperature, pressure, velocity, kinetic energy, mass fraction and volume fraction of each component, are saved.
In one embodiment, the particle diameter in the step (5) is changed to be in a range of 0.001 m-0.008 m.
In one embodiment, the inflow speed of the leaching agent in the step (9) is changed to be in a range of 0.005 m/s-0.018 m/s.
In one embodiment, the initial concentration of the leaching agent in the step (7) is changed to be in a range of 0.1 mol/L-0.8 mol/L.
The technical features of the embodiments described above may be arbitrarily combined, and for the sake of brevity, all possible combinations of the technical features in the embodiments described above are not described, but should be considered as being within the scope of the present specification as long as there is no contradiction between the combinations of the technical features.
The above-mentioned embodiments only express several embodiments of the present invention, and the description thereof is more specific and detailed, but not construed as limiting the scope of the invention. It should be noted that, for a person skilled in the art, several variations and modifications can be made without departing from the inventive concept, which falls within the scope of the present invention. Therefore, the protection scope of the present patent shall be subject to the appended claims.
Claims (9)
1. A numerical simulation method for an in-situ leaching process of ionic rare earth ore is characterized by comprising the following steps: the simulation method is used for simulating the chemical reaction value of the rare earth in-situ ore leaching process based on computational fluid dynamics numerical simulation, and comprises the following steps of:
(1) establishing a geometric model of the rare earth ore leaching process according to the rare earth ore structural form, dividing liquid-phase and solid-phase calculation areas through CAE pretreatment software, and performing grid division on the calculation areas;
(2) determining a basic governing equation according to the meshing, the basic governing equation comprising: a continuity equation, a momentum equation, an energy equation and a component equation are established, and a component transport model and an Euler model are established;
(3) defining material attributes of the fixed rare earth ore and the leaching agent before reaction and the fixed rare earth ore and the rare earth solution ions after reaction;
(4) two mixed phases were created: liquid phase and solid phase, wherein the leaching agent and the reacted rare earth solution ions are defined as the liquid phase, the rare earth ore before reaction and the rare earth ore after reaction are defined as the solid phase, and the density, specific heat, viscosity and mass diffusion coefficient of the mixed phase are defined;
(5) defining a liquid phase as a primary phase and a solid phase as a secondary phase, establishing a particle flow model of the solid phase, and setting the particle diameter, the particle viscosity and the particle stacking coefficient;
(6) defining interphase interactions including a drag model and a collision coefficient;
(7) defining a multiphase reaction, specifically comprising a multiphase chemical reaction equation, a rate equation and a kinetic equation, and compiling by fluent UDF compiling software;
(8) defining import and export boundary conditions;
(9) initial conditions are defined: flow rate of leaching agent and filling fraction of rare earth ore;
(10) discretizing the basic control equation in the step (2), and closing and solving by adopting the boundary conditions and the initial conditions defined in the step (8) and the step (9);
(11) initializing the whole calculation region, setting time step length, repeatedly iterating an algebraic equation set in the calculation region until the rare earth leaching reaction is nearly complete and the conservation law is satisfied, completing numerical simulation of the rare earth leaching reaction process, setting automatic storage, and storing the calculation result once every other certain time step length for subsequent result analysis;
(12) and (5) post-processing the calculation result to complete numerical simulation.
2. The numerical simulation method for the in-situ leaching process of the ionic rare earth ore according to claim 1, wherein the numerical simulation method comprises the following steps: the geometric model of the leaching process of the rare earth ore in the step (1) is based on the real industrial component composition of the rare earth ore, the composition of the geometric model comprises kaolin and rare earth ions, and the chemical molecular formula of the geometric model can be expressed as follows: [2SiO 2. Al2O 3. 3H2O ] 3. RE3 +.
3. The numerical simulation method for the in-situ leaching process of the ionic rare earth ore according to claim 1, wherein the numerical simulation method comprises the following steps: and (2) carrying out meshing on the calculation area of the geometric model by adopting a block structured grid in the step (1).
4. The method for simulating the in-situ leaching process numerical value of the ionic rare earth ore according to claim 1, wherein the heterogeneous chemical reaction equation in the step (7) is reversible ion exchange reaction, and is specifically represented as:
the kinetic equation is the change relation of the rare earth leaching rate along with time, and is specifically expressed as follows:
5. the numerical simulation method for the in-situ leaching process of the ionic rare earth ore according to claim 1, wherein the boundary conditions in the step (8) are as follows: the wall surface is a fluid-solid coupling boundary; the lixiviant is the velocity inlet boundary and the outlet is the pressure outlet boundary.
6. The numerical simulation method for the in-situ leaching process of the ionic rare earth ore according to claim 1, wherein the initial conditions in the step (9) are as follows: the leaching agent flowed in from the inlet at a velocity of 0.005m/s, and the filling fraction of the rare earth ore was set to 0.6.
7. The numerical simulation method for the in-situ leaching process of the ionic rare earth ore according to claim 1, wherein in the step (10), a finite volume method is adopted to discretize the basic control equation in the step (2), a first-order windward format and a SIMPLE velocity-pressure coupling algorithm are adopted in the calculation process, and a STANDARD format is adopted in a pressure interpolation format.
8. The method for simulating the in-situ leaching process of the ionic rare earth ore according to claim 1, wherein the time step in the step (11) is set to 0.001 second.
9. The numerical simulation method for the in-situ leaching process of the ionic rare earth ore according to claim 1, wherein the storage mechanism in the step (11) is as follows: at intervals, the physical quantities in each space in the entire computational domain, including density, temperature, pressure, velocity, kinetic energy, mass fraction and volume fraction of each component, are saved.
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| CN113553787A (en) * | 2021-07-22 | 2021-10-26 | 江西理工大学 | Numerical simulation method for stirring leaching process of ionic rare earth ore |
| CN117808266A (en) * | 2024-01-02 | 2024-04-02 | 中国恩菲工程技术有限公司 | Intelligent mine management and control system of ionic rare earth |
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