Solid nanopore molecule via hole simulation method based on COMSOL

Abstract

The invention relates to a solid nanopore molecule via hole simulation method based on COMSOL. The method comprises the following steps: determining nanopore simulation geometric parameters and nanopore related physical parameters; on the basis of the nanopore simulation geometric parameters and the nanopore related physical parameters, utilizing a Nernst-Planck equation and a Poisson equation to simulate an environment in the nanopore, and constructing a control model of molecular motion; on the basis of the molecular motion control model, constructing a nanopore molecular via hole model; and performing simulation calculation on the nanopore molecule via hole model, and analyzing a simulation result. Scientific basis is provided for optimization of nanopore detection, the structure and the size of the model can be adjusted according to actual requirements, effective simulation of nanopore molecule via holes is achieved through multi-physical field simulation, the problem that accurate simulation is difficult in a traditional method is solved, a two-dimensional model is used for approximately simulating a three-dimensional nanopore model, and the method is suitable for large-scale popularization and application. And experiment fitting and model debugging are facilitated.

Description

Technical Field

[0001] The invention relates to the technical field of multi-physical field coupling simulation, and in particular to a solid-state nanopore molecular via simulation method based on COMSOL. Background Art

[0002] As an emerging molecular detection technology, nanopore technology has been widely used in biomedicine, environmental monitoring, food safety and other fields. Nanopores use electric fields to guide molecules or ions to pass through nanoscale channels, and high-sensitivity detection of single molecules can be achieved by detecting the through-hole signal. With the development of nanomaterials and micro-nano processing technologies, nanopore sensors have shown great potential in detection accuracy, sensitivity and high-throughput screening. However, how to effectively design and optimize nanopore sensors to improve their detection performance of target molecules in complex environments is still a research problem that needs to be solved urgently.

[0003] In recent years, COMSOL Multiphysics, as a powerful multi-physics simulation software, has been widely used in the field of nanopore molecular detection because of its ability to couple multiple physical fields such as electric fields, flow fields, and mass transfer. COMSOL can not only simulate the electrophoretic migration behavior of molecules in nanopores, but also accurately describe the coupling effect of liquid flow and molecular diffusion, making it of great application value in the design and optimization of nanopore detection systems. Despite this, the current work on the simulation of nanopore molecular permeation process using COMSOL is still relatively scarce, especially in terms of the influence of different molecular characteristics, pore size design, electric field strength and other variables on the molecular permeation behavior. There is a lack of systematic theoretical guidance and optimization design framework. Therefore, how to accurately model and optimize the performance of nanopore sensors through COMSOL has become an important problem that needs to be solved in this field. Summary of the invention

[0004] The purpose of the present invention is to propose a solid-state nanopore molecular via simulation method based on COMSOL to solve the problems existing in the above-mentioned prior art.

[0005] To achieve the above object, the present invention provides the following solutions:

[0006] A COMSOL-based solid-state nanopore molecular via simulation method, comprising:

[0007] Determine nanopore simulation geometric parameters and nanopore related physical parameters;

[0008] Based on the nanopore simulation geometric parameters and nanopore related physical parameters, the Nernst-Planck equation and Poisson's equation are used to simulate the environment inside the nanopore and construct a control model for molecular motion;

[0009] Based on the control model of molecular motion, a nanopore molecular permeation model is constructed;

[0010] The nanopore molecular via model is simulated and calculated, and the simulation results are analyzed.

[0011] Optionally, determining the nanopore simulation geometric parameters and nanopore related physical parameters includes:

[0012] Based on the geometric shape and size of the molecule to be tested, the geometric parameters of the nanopore simulation are determined with the molecular pore as the control target;

[0013] Based on the experimental measurement method, the physical parameters related to the nanopore are determined; wherein the physical parameters related to the nanopore include: molecular surface charge density, nanopore surface charge density, solution relative dielectric constant, solution diffusion coefficient, and solution viscosity.

[0014] Optionally, simulating the environment inside the nanopore includes:

[0015] Simulate nanopore electrostatic fields, simulate nanopore concentration fields, and simulate fluid flow and molecular movement.

[0016] Optionally, the control model of molecular motion includes: a Nernst-Planck-Poisson sub-model and a control sub-model of fluid flow;

[0017] The Nernst-Planck-Poisson submodel is used to describe ion transport and electrostatic interaction in electrolyte solutions; the Nernst-Planck-Poisson submodel is:

[0018]

[0019] in, represents the divergence operator, z i represents the charge number of the ith substance, u m,j represents the molar flow rate of the ith substance, D i represents the diffusion coefficient of the i-th substance, F is the Faraday constant, which represents the charge per mole of electrons, and c i represents the concentration of the ith substance, represents the gradient of electric potential;

[0020] The control submodel of the fluid flow is constructed based on the Stokes equation and the mass conservation continuity equation; the control submodel of the fluid flow is:

[0021]

[0022] Among them, u represents the velocity vector of the fluid, p represents the channel pressure of the fluid on the microfluidic chip, and μ is the dynamic viscosity of the fluid.

[0023] Optionally, performing simulation calculation on the nanopore molecular via model and analyzing the simulation results includes:

[0024] The nanopore molecular permeation model is simulated and calculated to obtain the nanopore model potential, electric field norm, concentration distribution, and spatial charge distribution. A two-dimensional cutoff point is set at the nanopore to obtain the result graph of the potential change at the cutoff point. The effects of different voltage and concentration combinations and different geometric size molecules on the nanopore ion current are investigated. According to the model simulation results and design requirements, the voltage and concentration combination of the nanopore and the design scale parameters are adjusted to study the permeation phenomenon of different molecules and parameters.

[0025] A COMSOL-based solid-state nanopore molecular via simulation system, the system comprising: a determination module, a simulation module, a construction module and a calculation analysis module;

[0026] The determination module is used to determine the nanopore simulation geometric parameters and nanopore related physical parameters;

[0027] The simulation module is used to simulate the environment inside the nanopore using the Nernst-Planck equation and the Poisson equation based on the nanopore simulation geometric parameters and the nanopore related physical parameters, and to construct a control model for molecular motion;

[0028] The construction module is used to construct a nanopore molecular permeation model based on the control model of the molecular motion;

[0029] The calculation and analysis module is used to perform simulation calculations on the nanopore molecular via model and analyze the simulation results.

[0030] Optionally, the determination module determines the nanopore simulation geometric parameters and nanopore related physical parameters including:

[0031] Based on the geometric shape and size of the molecule to be tested, the geometric parameters of the nanopore simulation are determined with the molecular pore as the control target;

[0032] Based on the experimental measurement method, the physical parameters related to the nanopore are determined; wherein the physical parameters related to the nanopore include: molecular surface charge density, nanopore surface charge density, solution relative dielectric constant, solution diffusion coefficient, and solution viscosity.

[0033] Optionally, simulating the environment inside the nanopore in the simulation module includes:

[0034] Simulate nanopore electrostatic fields, simulate nanopore concentration fields, and simulate fluid flow and molecular movement.

[0035] Optionally, the control model of molecular motion includes: a Nernst-Planck-Poisson sub-model and a control sub-model of fluid flow;

[0036] The Nernst-Planck-Poisson submodel is used to describe ion transport and electrostatic interaction in electrolyte solutions; the Nernst-Planck-Poisson submodel is:

[0037]

[0038] in, represents the divergence operator, z i represents the charge number of the ith substance, u m,j represents the molar flow rate of the ith substance, D i represents the diffusion coefficient of the i-th substance, F is the Faraday constant, which represents the charge per mole of electrons, and c i represents the concentration of the ith substance, represents the gradient of electric potential;

[0039] The control submodel of the fluid flow is constructed based on the Stokes equation and the mass conservation continuity equation; the control submodel of the fluid flow is:

[0040]

[0041] Among them, u represents the velocity vector of the fluid, p represents the channel pressure of the fluid on the microfluidic chip, and μ is the dynamic viscosity of the fluid.

[0042] Optionally, the calculation and analysis module performs simulation calculation on the nanopore molecular via model, and analyzes the simulation result, including:

[0043] The nanopore molecular permeation model is simulated and calculated to obtain the nanopore model potential, electric field norm, concentration distribution, and spatial charge distribution. A two-dimensional cutoff point is set at the nanopore to obtain the result graph of the potential change at the cutoff point. The effects of different voltage and concentration combinations and different geometric size molecules on the nanopore ion current are investigated. According to the model simulation results and design requirements, the voltage and concentration combination of the nanopore and the design scale parameters are adjusted to study the permeation phenomenon of different molecules and parameters.

[0044] The beneficial effects of the present invention are:

[0045] The present invention determines the nanopore simulation geometric parameters according to the nanopore manufacturing technology and the geometric shape and size of the molecule to be tested, laying the foundation for model construction, and the model structure and size can be adjusted according to actual needs.

[0046] The present invention considers the electrostatic field, material concentration field, fluid field and other aspects in the process of simulating the nanopore molecular via hole, and the corresponding control equations under the corresponding physical field nodes can change any interface parameter separately to realize the simulation of the nanopore molecular via hole.

[0047] The present invention utilizes a two-dimensional model to achieve approximate simulation of a three-dimensional nanopore model, combines experiments with model simulations, facilitates fitting with nanopores under experimental conditions, and is beneficial to model debugging. BRIEF DESCRIPTION OF THE DRAWINGS

[0048] In order to more clearly illustrate the embodiments of the present invention or the technical solutions in the prior art, the drawings required for use in the embodiments will be briefly introduced below. Obviously, the drawings described below are only some embodiments of the present invention. For ordinary technicians in this field, other drawings can be obtained based on these drawings without paying creative labor.

[0049] Figure 1 A schematic flow chart of a COMSOL-based solid-state nanopore molecular via simulation method according to an embodiment of the present invention;

[0050] Figure 2 A schematic diagram of mesh division of a model according to an embodiment of the present invention;

[0051] Figure 3 A schematic diagram of the steady-state potential of a nanopore model according to an embodiment of the present invention;

[0052] Figure 4 Schematic diagram of the steady-state electric field model of the nanopore model according to an embodiment of the present invention;

[0053] Figure 5 A schematic diagram of the concentration trend of a nanopore model according to an embodiment of the present invention;

[0054] Figure 6 Schematic diagram of ion currents of different molecules passing through a nanopore according to an embodiment of the present invention. DETAILED DESCRIPTION

[0055] The following will be combined with the drawings in the embodiments of the present invention to clearly and completely describe the technical solutions in the embodiments of the present invention. Obviously, the described embodiments are only part of the embodiments of the present invention, not all of the embodiments. Based on the embodiments of the present invention, all other embodiments obtained by ordinary technicians in this field without creative work are within the scope of protection of the present invention.

[0056] In order to make the above-mentioned objects, features and advantages of the present invention more obvious and easy to understand, the present invention is further described in detail below with reference to the accompanying drawings and specific embodiments.

[0057] like Figure 1 As shown, this embodiment proposes a solid-state nanopore molecular via simulation method based on COMSOL, including:

[0058] Determine nanopore simulation geometric parameters and nanopore related physical parameters;

[0059] Based on the nanopore simulation geometric parameters and nanopore related physical parameters, the Nernst-Planck equation and Poisson equation are used to simulate the environment inside the nanopore and build a control model for molecular motion.

[0060] Based on the control model of molecular motion, a nanopore molecular permeation model is constructed;

[0061] The nanopore molecular via model is simulated and calculated, and the simulation results are analyzed.

[0062] Specifically, this embodiment determines the nanopore simulation geometric parameters and related physical parameters based on the nanopore manufacturing technology and the geometric shape and size of the molecule to be tested, and uses the Nernst-Planck equation, Poisson's equation, Stokes equation and continuity equation to establish the control equations of molecular motion, covering electrostatic field, concentration field, fluid flow and molecular movement simulation. Based on this, the COMSOL Multiphysics software is used to construct a nanopore molecular perforation model, and the influence of different factors on the nanopore ion current is investigated through calculation and post-processing, and the perforation phenomenon of different molecules and parameters is studied. The present invention provides a scientific basis for the optimization of nanopore detection, and the model structure and size can be adjusted according to actual needs. The effective simulation of nanopore molecular perforation is realized through multi-physical field simulation, which solves the problem that it is difficult to accurately simulate in traditional methods. The three-dimensional nanopore model is approximately simulated using a two-dimensional model, which is convenient for fitting with experiments and model debugging.

[0063] Further, determining the nanopore simulation geometric parameters and nanopore related physical parameters includes:

[0064] Based on the geometric shape and size of the molecule to be tested, the geometric parameters of the nanopore simulation are determined with the molecular pore as the control target;

[0065] Based on the experimental measurement method, the physical parameters related to the nanopore are determined; wherein the physical parameters related to the nanopore include: molecular surface charge density, nanopore surface charge density, solution relative dielectric constant, solution diffusion coefficient, and solution viscosity.

[0066] Specifically, this embodiment determines the molecular via as the control target based on the nanopore manufacturing technology and the geometric shape and size of the molecule to be tested, determines the nanopore simulation geometric parameters, and determines the nanopore related physical parameters through experimental measurement or empirical value method. The operating parameters of the nanopore molecular via model include the molecular surface charge density, the nanopore surface charge density, the solution relative dielectric constant, the solution diffusion coefficient, the solution viscosity, etc.

[0067] Furthermore, simulating the environment inside the nanopore includes:

[0068] Simulate nanopore electrostatic fields, simulate nanopore concentration fields, and simulate fluid flow and molecular movement.

[0069] Further, the control model of molecular motion includes: a Nernst-Planck-Poisson sub-model and a control sub-model of fluid flow;

[0070] The Nernst-Planck-Poisson submodel is used to describe ion transport and electrostatic interactions in electrolyte solutions;

[0071] The control submodel of fluid flow is constructed based on the Stokes equations and the mass conservation continuity equations.

[0072] Specifically, this embodiment uses the Nernst-Planck equation and the Poisson equation to simulate the environment inside the nanopore, combines the two and then considers the Stokes equation of momentum conservation and the continuity equation of mass conservation to establish the control equation of molecular motion, including three simulation processes, namely, the simulation of the electrostatic field of the nanopore, the simulation of the concentration field of the nanopore, and the simulation of fluid flow and molecular movement;

[0073] Considering that the nanopore needs to work in a charged environment, the Poisson's Equation interface is used to construct the governing equations of the electrostatic field in the nanopore using the scalar potential as the dependent variable. The Poisson's Equation is based on Gauss's law:

[0074]

[0075] in is the divergence operator, D represents the electric displacement vector, ρ represents the charge density, that is, the amount of charge per unit volume, through the relationship between the electric field and the electric potential:

[0076]

[0077] The differential form of Gauss's law can be converted to Poisson's equation:

[0078]

[0079] in is the Laplace operator, V is the electric potential, ρ is the charge density, which represents the total amount of charge per unit volume, and ε is the dielectric constant.

[0080] Considering that the nanopore needs to work in a concentration field, the Nernst-Planck equation interface is used to construct the governing equations for material transport and reaction in the liquid. The Nernst-Planck equation is:

[0081]

[0082] in, is the divergence operator, J i represents the flux of the i-th substance, u is the velocity vector of the fluid, which represents the rate at which the fluid substance is produced due to chemical reactions. D is the diffusion coefficient of the i-th substance, which represents the ability of the substance to diffuse in the medium. i represents the charge number of the ith substance. m,j represents the molar flow rate of the i-th substance, which represents the number of moles of the substance passing through a unit area per unit time. F is the Faraday constant, which represents the charge per mole of electrons. i It represents the concentration of the i-th substance and the amount of the substance per unit volume. It represents the gradient of electric potential, which represents the rate of change of electric potential with spatial position.

[0083] The above two equations are combined into the "Nernst-Planck-Poisson equation". This interface describes the transfer of electrolyte species without assuming local neutrality, and can simulate the charge separation that usually occurs near the electrode surface. In the multi-physics coupling, canonical potential coupling and space charge density coupling can be performed, and its governing equation is:

[0084]

[0085] The molecular motion of nanopores is affected by fluid flow. The Stokes equation and mass conservation continuity equation are used to construct the control equation of fluid flow:

[0086]

[0087] In the above two equations, u is the velocity vector of the fluid, p is the channel pressure of the fluid on the microfluidic chip, and μ is the dynamic viscosity of the fluid. is the gradient operator, is the Laplace operator.

[0088] Furthermore, the nanopore molecular via model is simulated and calculated, and the simulation results are analyzed, including:

[0089] The nanopore molecular permeation model is simulated and calculated to obtain the nanopore model potential, electric field norm, concentration distribution, and spatial charge distribution. A two-dimensional cutoff point is set at the nanopore to obtain the result graph of the potential change at the cutoff point. The effects of different voltage and concentration combinations and different geometric size molecules on the nanopore ion current are investigated. According to the model simulation results and design requirements, the voltage and concentration combination of the nanopore and the design scale parameters are adjusted to study the permeation phenomenon of different molecules and parameters.

[0090] Specifically, this embodiment is based on the control equation of the nanopore molecular permeation simulation, and uses COMSOL Multiphysics software to construct a nanopore molecular permeation model. The nanopore model potential, electric field norm, concentration distribution, and spatial charge distribution are obtained through calculation and post-processing. A two-dimensional intercept point is set at the nanopore to obtain a result graph of the potential change at the intercept point. The effects of different voltage and concentration combinations and molecules of different geometric sizes on the nanopore ion current are investigated. According to the model simulation results and design requirements, the voltage and concentration combination of the nanopore and the design scale parameters are adjusted, and the permeation phenomenon of different molecules and parameters is studied, providing a scientific basis for the optimization of nanopore detection.

[0091] Figure 4 Schematic diagram of the steady-state electric field model of the nanopore model; Figure 5 Schematic diagram of the concentration trend of the nanopore model; Figure 6 Schematic diagram of ionic current of different molecules passing through the nanopore.

[0092] In COMSOL, the spatial dimension of "2D" is selected in the "Model Wizard" to simulate the 3D nanopore molecular via simulation model by using the 2D model.

[0093] In terms of physical field interface selection, the "Electrostatics (ES)" interface is used to simulate the electrostatic field in the nanopore, the "Transport of Diluted Species (TDS)" is used to simulate the concentration field of liquid substance transfer and reaction in the nanopore, and the "Laminar Flow (SPF)" is used to simulate the liquid flow in the nanopore.

[0094] First, draw a model in AUTOCAD software. The model has rectangles on the top and bottom to simulate the reaction pools on both sides of the nanopore. There is a rectangle much smaller than the reaction pool between the two rectangles to simulate the nanopore. In the lower reaction pool, there is a semicircle on the top and bottom and a rectangular rod in the middle to simulate the through-hole molecule, as shown below Figure 2 It should be noted that the above shapes and sizes can be changed according to actual conditions.

[0095] In the "Laminar Flow (SPF)" physics field, set the parameters for the flow environment in the nanopore and constrain the equations using initial conditions and boundary conditions, including fluid properties, walls and initial values. Then set the inlet, select the top of the model, set the outlet, and select the bottom of the model.

[0096] In the "Electrostatics (es)" physics field, set parameters for the electrostatic field environment in the nanopore and constrain the equations using initial conditions and boundary conditions, including charge conservation, zero charge, and initial value. Then set the potential, select the top of the model, set the ground, and select the bottom of the model. Then set the surface charge density, set the nanopore surface and the via molecule surface separately. Finally, add the space charge density interface.

[0097] In the "Transport of Diluted Species (TDS)" physics field, set the material parameters for the nanopore and its reaction cell, and constrain the equations using initial conditions and boundary conditions, including material charge, transfer properties, no flux, and initial value. Then set positive and negative charges in the material charge. Add a concentration window to set the concentration in the reaction chamber.

[0098] like Figure 3 As shown, the constructed biological retention pond model is meshed. The meshing function provided by COMSOL can be used. Select "User Controlled Mesh", calibrate with "Fluid Dynamics", pre-define as "Fine", then add the dynamic mesh option, and set the deformation domain to the entire model. Add a fixed boundary, select the fixed boundary as the outer boundary of the model and the outer contour of the molecule. Add a specified mesh displacement, select the outer contour of the molecule, and set the molecular speed of passing through the hole here.

[0099] Add a transient study and adjust the absolute tolerance, time stepping, termination method, and criterion configuration in the solver as needed, set an appropriate output time step, and use physics-controlled tolerances.

[0100] By post-processing the calculation results, the potential, electric field norm, and concentration map are obtained by default. By adding a drawing group through post-processing, you can obtain a two-dimensional line result map, space charge map, through-hole ion current, etc.

[0101] Furthermore, it can be obtained that the change of electric potential and electric field norm in the process of molecules passing through the nanopore can be intuitively displayed in the result diagram.

[0102] This embodiment also proposes a solid-state nanopore molecular via simulation based on COMSOL, the system includes: a determination module, a simulation module, a construction module and a calculation analysis module;

[0103] A determination module, used to determine the nanopore simulation geometric parameters and nanopore related physical parameters;

[0104] The simulation module is used to simulate the internal environment of the nanopore based on the nanopore simulation geometric parameters and nanopore related physical parameters, using the Nernst-Planck equation and Poisson's equation to build a control model for molecular motion;

[0105] A building module is used to construct a nanopore molecular permeation model based on a control model of molecular motion;

[0106] The calculation and analysis module is used to simulate and calculate the nanopore molecular via model and analyze the simulation results.

[0107] Furthermore, the determination module determines the nanopore simulation geometric parameters and nanopore related physical parameters including:

[0108] Based on the geometric shape and size of the molecule to be tested, the geometric parameters of the nanopore simulation are determined with the molecular pore as the control target;

[0109] Based on the experimental measurement method, the physical parameters related to the nanopore are determined; wherein the physical parameters related to the nanopore include: molecular surface charge density, nanopore surface charge density, solution relative dielectric constant, solution diffusion coefficient, and solution viscosity.

[0110] Furthermore, the simulation module simulates the environment inside the nanopore including:

[0111] Simulate nanopore electrostatic fields, simulate nanopore concentration fields, and simulate fluid flow and molecular movement.

[0112] Further, the control model of molecular motion includes: a Nernst-Planck-Poisson sub-model and a control sub-model of fluid flow;

[0113] The Nernst-Planck-Poisson submodel is used to describe the transport of electrolyte species in the case of local electroneutrality and the charge separation that occurs near the electrode surface; the Nernst-Planck-Poisson submodel is:

[0114]

[0115] in, represents the divergence operator, z i represents the charge number of the ith substance, u m,j represents the molar flow rate of the ith substance, D i represents the diffusion coefficient of the i-th substance, F is the Faraday constant, which represents the charge per mole of electrons, and c i represents the concentration of the ith substance, represents the gradient of electric potential;

[0116] The control submodel of fluid flow is constructed based on the Stokes equation and the mass conservation continuity equation; the control submodel of fluid flow is:

[0117]

[0118] Among them, u represents the velocity vector of the fluid, p represents the channel pressure of the fluid on the microfluidic chip, and μ is the dynamic viscosity of the fluid.

[0119] Furthermore, the calculation and analysis module performs simulation calculations on the nanopore molecular via model and analyzes the simulation results, including:

[0120] The nanopore molecular permeation model is simulated and calculated to obtain the nanopore model potential, electric field norm, concentration distribution, and spatial charge distribution. A two-dimensional cutoff point is set at the nanopore to obtain the result graph of the potential change at the cutoff point. The effects of different voltage and concentration combinations and different geometric size molecules on the nanopore ion current are investigated. According to the model simulation results and design requirements, the voltage and concentration combination of the nanopore and the design scale parameters are adjusted to study the permeation phenomenon of different molecules and parameters.

[0121] The embodiments described above are only descriptions of the preferred embodiments of the present invention and are not intended to limit the scope of the present invention. Without departing from the design spirit of the present invention, various modifications and improvements made to the technical solutions of the present invention by ordinary technicians in this field should all fall within the protection scope determined by the claims of the present invention.

Claims

1. A COMSOL-based solid-state nanopore molecular via simulation method, characterized in that: include: Determine nanopore simulation geometric parameters and nanopore related physical parameters; Based on the nanopore simulation geometric parameters and nanopore related physical parameters, the Nernst-Planck equation and Poisson's equation are used to simulate the environment inside the nanopore and construct a control model for molecular motion; Based on the control model of molecular motion, a nanopore molecular permeation model is constructed; The nanopore molecular via model is simulated and calculated, and the simulation results are analyzed.

2. The COMSOL-based solid-state nanopore molecular via simulation method according to claim 1, characterized in that: Determine the nanopore simulation geometric parameters and nanopore related physical parameters including: Based on the geometric shape and size of the molecule to be tested, the geometric parameters of the nanopore simulation are determined with the molecular pore as the control target; Based on the experimental measurement method, the physical parameters related to the nanopore are determined; wherein the physical parameters related to the nanopore include: molecular surface charge density, nanopore surface charge density, solution relative dielectric constant, solution diffusion coefficient, and solution viscosity.

3. The COMSOL-based solid-state nanopore molecular via simulation method according to claim 1, characterized in that: Simulating the environment inside the nanopore includes: Simulate nanopore electrostatic fields, simulate nanopore concentration fields, and simulate fluid flow and molecular movement.

4. The COMSOL-based solid-state nanopore molecular via simulation method according to claim 1, characterized in that: The control model of molecular motion includes: a Nernst-Planck-Poisson sub-model and a fluid flow control sub-model; The Nernst-Planck-Poisson submodel is used to describe ion transport and electrostatic interaction in electrolyte solutions; the Nernst-Planck-Poisson submodel is: in, represents the divergence operator, z i represents the charge number of the ith substance, u m,j represents the molar flow rate of the ith substance, D i represents the diffusion coefficient of the i-th substance, F is the Faraday constant, which represents the charge per mole of electrons, and c i represents the concentration of the ith substance, represents the gradient of electric potential; The control sub-model of the fluid flow is constructed based on the Stokes equation and the mass conservation continuity equation; the control sub-model of the fluid flow is: Among them, u represents the velocity vector of the fluid, p represents the channel pressure of the fluid on the microfluidic chip, and μ is the dynamic viscosity of the fluid.

5. The COMSOL-based solid-state nanopore molecular via simulation method according to claim 1, characterized in that: Performing simulation calculation on the nanopore molecular via model and analyzing the simulation results include: The nanopore molecular permeation model is simulated and calculated to obtain the nanopore model potential, electric field norm, concentration distribution, and spatial charge distribution. A two-dimensional cutoff point is set at the nanopore to obtain the result graph of the potential change at the cutoff point. The effects of different voltage and concentration combinations and different geometric size molecules on the nanopore ion current are investigated. According to the model simulation results and design requirements, the voltage and concentration combination of the nanopore and the design scale parameters are adjusted to study the permeation phenomenon of different molecules and parameters.

6. A solid-state nanopore molecular via simulation system based on COMSOL, characterized in that: Used to implement the method according to any one of claims 1 to 5, the system comprises: a determination module, a simulation module, a construction module and a calculation and analysis module; The determination module is used to determine the nanopore simulation geometric parameters and nanopore related physical parameters; The simulation module is used to simulate the environment inside the nanopore using the Nernst-Planck equation and the Poisson equation based on the nanopore simulation geometric parameters and the nanopore related physical parameters, and to construct a control model for molecular motion; The construction module is used to construct a nanopore molecular permeation model based on the control model of the molecular motion; The calculation and analysis module is used to perform simulation calculations on the nanopore molecular via model and analyze the simulation results.

7. The COMSOL-based solid-state nanopore molecular via simulation system according to claim 6, characterized in that: The determination module determines the nanopore simulation geometric parameters and nanopore related physical parameters including: Based on the geometric shape and size of the molecule to be tested, the geometric parameters of the nanopore simulation are determined with the molecular pore as the control target; Based on the experimental measurement method, the physical parameters related to the nanopore are determined; wherein the physical parameters related to the nanopore include: molecular surface charge density, nanopore surface charge density, solution relative dielectric constant, solution diffusion coefficient, and solution viscosity.

8. The COMSOL-based solid-state nanopore molecular via simulation system according to claim 6, characterized in that: The simulation module simulating the environment inside the nanopore includes: Simulate nanopore electrostatic fields, simulate nanopore concentration fields, and simulate fluid flow and molecular movement.

9. The COMSOL-based solid-state nanopore molecular via simulation system according to claim 6, characterized in that: The control model of molecular motion includes: a Nernst-Planck-Poisson sub-model and a fluid flow control sub-model; The Nernst-Planck-Poisson submodel is used to describe ion transport and electrostatic interaction in electrolyte solutions; the Nernst-Planck-Poisson submodel is: in, represents the divergence operator, z i represents the charge number of the ith substance, u m,j represents the molar flow rate of the ith substance, D i represents the diffusion coefficient of the i-th substance, F is the Faraday constant, which represents the charge per mole of electrons, and c i represents the concentration of the ith substance, represents the gradient of electric potential; The control sub-model of the fluid flow is constructed based on the Stokes equation and the mass conservation continuity equation; the control sub-model of the fluid flow is: Among them, u represents the velocity vector of the fluid, p represents the channel pressure of the fluid on the microfluidic chip, and μ is the dynamic viscosity of the fluid.

10. The COMSOL-based solid-state nanopore molecular via simulation system according to claim 6, characterized in that: The calculation and analysis module performs simulation calculation on the nanopore molecular via model and analyzes the simulation results, including: The nanopore molecular permeation model is simulated and calculated to obtain the nanopore model potential, electric field norm, concentration distribution, and spatial charge distribution. A two-dimensional cutoff point is set at the nanopore to obtain the result graph of the potential change at the cutoff point. The effects of different voltage and concentration combinations and different geometric size molecules on the nanopore ion current are investigated. According to the model simulation results and design requirements, the voltage and concentration combination of the nanopore and the design scale parameters are adjusted to study the permeation phenomenon of different molecules and parameters.

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