CN112668209B - Polypyrrole actuator mechanical simulation method based on charge transfer model - Google Patents
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- 229920000128 polypyrrole Polymers 0.000 title claims abstract description 152
- 238000004088 simulation Methods 0.000 title claims abstract description 51
- 238000000034 method Methods 0.000 title claims abstract description 50
- 238000012546 transfer Methods 0.000 title claims abstract description 42
- 230000008878 coupling Effects 0.000 claims abstract description 30
- 238000010168 coupling process Methods 0.000 claims abstract description 30
- 238000005859 coupling reaction Methods 0.000 claims abstract description 30
- 230000005684 electric field Effects 0.000 claims abstract description 20
- 230000001052 transient effect Effects 0.000 claims abstract description 20
- 230000008859 change Effects 0.000 claims abstract description 16
- 239000000126 substance Substances 0.000 claims abstract description 14
- 230000008569 process Effects 0.000 claims abstract description 13
- 239000000463 material Substances 0.000 claims abstract description 12
- 238000011160 research Methods 0.000 claims abstract description 6
- 150000001450 anions Chemical class 0.000 claims description 23
- 150000001768 cations Chemical class 0.000 claims description 20
- 230000009471 action Effects 0.000 claims description 6
- 239000007787 solid Substances 0.000 claims description 4
- 230000007246 mechanism Effects 0.000 abstract description 3
- 239000002033 PVDF binder Substances 0.000 description 10
- 229920002981 polyvinylidene fluoride Polymers 0.000 description 10
- 238000009792 diffusion process Methods 0.000 description 9
- 150000002500 ions Chemical class 0.000 description 6
- 238000012360 testing method Methods 0.000 description 6
- 238000010351 charge transfer process Methods 0.000 description 3
- 238000010586 diagram Methods 0.000 description 3
- 239000003792 electrolyte Substances 0.000 description 3
- 210000003205 muscle Anatomy 0.000 description 2
- 230000004044 response Effects 0.000 description 2
- 239000013598 vector Substances 0.000 description 2
- 238000012795 verification Methods 0.000 description 2
- 125000000129 anionic group Chemical group 0.000 description 1
- 230000009286 beneficial effect Effects 0.000 description 1
- 125000002091 cationic group Chemical group 0.000 description 1
- 230000001808 coupling effect Effects 0.000 description 1
- 230000007547 defect Effects 0.000 description 1
- 230000001419 dependent effect Effects 0.000 description 1
- 238000006073 displacement reaction Methods 0.000 description 1
- 238000010494 dissociation reaction Methods 0.000 description 1
- 230000005593 dissociations Effects 0.000 description 1
- 239000013013 elastic material Substances 0.000 description 1
- 229920001746 electroactive polymer Polymers 0.000 description 1
- 230000005518 electrochemistry Effects 0.000 description 1
- 230000005686 electrostatic field Effects 0.000 description 1
- 230000004907 flux Effects 0.000 description 1
- 235000015220 hamburgers Nutrition 0.000 description 1
- 230000005012 migration Effects 0.000 description 1
- 238000013508 migration Methods 0.000 description 1
- 229920000642 polymer Polymers 0.000 description 1
- 239000002861 polymer material Substances 0.000 description 1
- 238000006467 substitution reaction Methods 0.000 description 1
- 230000036962 time dependent Effects 0.000 description 1
Abstract
The invention discloses a polypyrrole actuator mechanical simulation method based on a charge transfer model, and relates to the technical field of polypyrrole actuators. Comprising the following steps: the acquisition parameters comprise geometrical parameters and material attribute parameters of the polypyrrole actuator; establishing a two-dimensional model of the polypyrrole actuator according to the geometric parameters; sequentially establishing a charge transfer model and an electric field model of the polypyrrole actuator; simulating the concentration change process of three charges in the polypyrrole actuator; sequentially establishing a mechanical model and a multi-field coupling transient simulation model of the polypyrrole actuator; ultra-fine grid division is carried out on a multi-field coupling transient simulation model of the polypyrrole actuator, transient research is adopted, and deformation of the polypyrrole actuator under multi-field coupling is calculated. According to the method, a simulation model of the polypyrrole actuator is built under the condition of coupling of a chemical field, an electric field and a mechanical field, the coupling field is more comprehensive, the simulation result is more vivid, the working process of the polypyrrole actuator can be simulated in real time, and the working mechanism of the actuator is revealed.
Description
Technical Field
The invention relates to a polypyrrole actuator, in particular to a polypyrrole actuator mechanical simulation method based on a charge transfer model.
Background
In recent years, artificial muscles that can change their shape or size in response to an external stimulus have received great attention in the field of soft robots and the like. Among the current artificial muscles, the ionic electroactive polymer actuators have been widely studied due to their good flexibility, easy processability, and rapid response time. The polypyrrole (PPy) actuator with high attention is of a sandwich structure, the driving principle is based on a multi-physical field coupling effect, and the principle is that the internal free state charges in each layer of the polypyrrole are migrated under the action of an electrostatic field, so that the volume ratio difference of positive and negative charges is large, and the volume of positive and negative electrodes is expanded or contracted. Polypyrrole has similar and different actions and thermal expansion, and the expansion process caused by charge migration is coupled with physical, electrochemical and solid mechanical fields of high polymer materials, so that the driving mechanism is more complex.
Simulation models of current polypyrrole actuators are generally divided into three categories: the first simulation model is an equivalent model, and utilizes thermal expansion to simulate the charge transfer phenomenon of equivalent polypyrrole, however, the expansion coefficient in the model is not the true expansion coefficient of the material, but is an equivalent expansion coefficient obtained from a test, and the simulation result can only obtain the deformation of the actuator under the external load voltage; the second model is to consider polypyrrole as a cantilever beam, only a deflection curve is established, and the model only considers the coupling of an electric field and a mechanical field to neglect the charge transfer process in the electrochemistry of the most core of the polymer; the third model is a one-dimensional charge transfer model, which only considers the transfer and transfer of charges in a chemical field and cannot calculate the mechanical properties of polypyrrole. Therefore, the existing three polypyrrole executor simulation models have the problems that the coupling field is incomplete, and the simulation result of the model is poor in precision under a single physical field.
Disclosure of Invention
Aiming at the defects existing in the prior art, the invention provides a polypyrrole actuator mechanical simulation method based on a charge transfer model, which aims to solve the modeling problem of the polypyrrole actuator under multi-field coupling and meet the requirement of simultaneously simulating a charge transfer process and a mechanical deformation process in real time.
The technical scheme of the invention is as follows:
a polypyrrole actuator mechanical simulation method based on a charge transfer model, comprising:
step 1: acquiring parameters;
the parameters comprise geometrical parameters, material property parameters and electrochemical performance parameters of the polypyrrole actuator;
the method further comprises the following steps performed on COMSOL:
step 2: according to the geometric parameters of the polypyrrole actuator, a two-dimensional model of the polypyrrole actuator is established;
step 3: establishing a charge transfer model of the polypyrrole actuator;
step 4: establishing an electric field model of the polypyrrole actuator;
step 5: simulating the concentration change process of three charges of anions, cations and electrons in the polypyrrole actuator;
step 6: establishing a mechanical model of the polypyrrole actuator;
step 7: establishing a multi-field coupling transient simulation model of the polypyrrole actuator;
step 8: ultra-fine grid division is carried out on a multi-field coupling transient simulation model of the polypyrrole actuator, transient research is adopted, and deformation of the polypyrrole actuator under multi-field coupling is calculated.
Further, according to the charge transfer model-based mechanical simulation method of the polypyrrole actuator, the method for establishing the charge transfer model of the polypyrrole actuator in the step 3 is as follows: the method comprises the steps of selecting a dilute substance transfer module in an electrochemical field, selecting transient research, endowing the required electrochemical performance parameters of the polypyrrole actuator and the initial concentration of three charges of anions, cations and electrons, describing the transfer process of the charges in the polypyrrole actuator by adopting a Nernst-Planck mass balance equation, and thus establishing a charge transfer model of the polypyrrole actuator in COMSOL.
Further, according to the charge transfer model-based mechanical simulation method of the polypyrrole actuator, the method for establishing the electric field model of the polypyrrole actuator in step 4 is as follows: and loading voltage on the upper polypyrrole of the two-dimensional model of the polypyrrole actuator, grounding the lower polypyrrole of the two-dimensional model, and setting electric field parameters of the polypyrrole actuator according to constitutive equation of an electric field.
Further, according to the charge transfer model-based simulation method of polypyrrole executor mechanics, the simulation method of the concentration change process of three charges in the polypyrrole executor in step 5 is as follows: and introducing a partial differential equation module, and coupling the electric potential and the charge density by using a poisson equation to obtain the change relation of three charge concentrations along with time under the action of voltage.
Further, according to the charge transfer model-based mechanical simulation method of the polypyrrole actuator, the method for establishing the mechanical model of the polypyrrole actuator in the step 6 is as follows: and introducing a mechanical field, fully restricting one end of a two-dimensional model of the polypyrrole actuator structural mechanics, setting the other end as a free end, forming a cantilever structure, and endowing required material attribute parameters.
Further, according to the charge transfer model-based mechanical simulation method of the polypyrrole actuator described above, the method for establishing the multi-field coupling transient simulation model of the polypyrrole actuator described in step 7 includes: and (3) loading the simulation result obtained in the step (5) as a boundary condition on a mechanical model of the polypyrrole actuator, and coupling an electric field, a chemical field and a solid mechanical field to obtain a multi-field coupling transient simulation model of the polypyrrole actuator.
Compared with the prior art, the polypyrrole actuator mechanical simulation method based on the charge transfer model has the following beneficial effects: 1. the simulation model of the polypyrrole actuator is established under the condition of coupling of a chemical field, an electric field and a mechanical field, and compared with the prior art, the simulation model has the advantages that the coupling field is more comprehensive, and the simulation result is more lifelike. 2. The simulation model of the polypyrrole actuator can calculate the change of the ion concentration and the change of the polypyrrole deformation along with time, namely the method can simulate the working process of the polypyrrole actuator in real time and reveal the working mechanism of the actuator.
Drawings
FIG. 1 is a schematic diagram of the actual structure of a polypyrrole actuator;
FIG. 2 is a flow chart of a mechanical simulation method of a polypyrrole actuator based on charge transfer;
FIG. 3 is a two-dimensional model diagram of polypyrrole actuator structural mechanics in accordance with an embodiment of the present invention;
FIG. 4 is a graph of cation concentration over time in a simulated polypyrrole actuator of an embodiment of the present invention;
FIG. 5 is a graph of anion concentration versus time in a simulated polypyrrole actuator of an embodiment of the present invention;
FIG. 6 is a graph of electron concentration over time in a simulated polypyrrole actuator in accordance with an embodiment of the present invention;
FIG. 7 is a schematic diagram illustrating simulation of longitudinal deformation of a polypyrrole actuator in accordance with an embodiment of the present invention;
FIG. 8 is a graph of the results of a longitudinal deformation test of a polypyrrole actuator obtained by test verification of an embodiment of the present invention.
Detailed Description
In order to facilitate an understanding of the present application, a more complete description of the present application will now be provided with reference to the relevant figures. Preferred embodiments of the present application are shown in the accompanying drawings. This application may, however, be embodied in many different forms and is not limited to the embodiments described herein. Rather, these embodiments are provided so that this disclosure will be thorough and complete.
The actual structure of the polypyrrole actuator is similar to a hamburger, as shown in fig. 1, the upper and lower layers are polypyrrole (PPy), and the middle layer is polyvinylidene fluoride PVDF. Wherein PVDF is a porous structure material, into which an electrolyte is injected at the start of operation, and in which the electrolyte is stored. The electrolyte is mainly used for providing transferable charges, and three charges, namely anions, cations and electrons, can be diffused and migrated after electric potential is applied to two ends of the polypyrrole actuator. The mechanical simulation method of the polypyrrole actuator based on charge transfer of the invention is now described in detail by taking a polypyrrole actuator with the specification of PPy layer thickness of 30 mu m, PPy layer width of 2000 mu m, PPy layer length of 15000 mu m and PVDF layer thickness of 110 mu m as an example.
The charge transfer-based mechanical simulation method for the polypyrrole actuator of the present embodiment, as shown in fig. 2, includes:
step 1: obtaining parameters including geometrical parameters, material property parameters and electrochemical performance parameters of the polypyrrole actuator;
the geometric parameters, material property parameters and electrochemical performance parameters of the polypyrrole actuators obtained in this example are listed in table 1.
The method further comprises the following steps performed in the multi-physical field simulation software COMSOL:
step 2: and establishing a two-dimensional model of the polypyrrole actuator according to the geometric parameters of the polypyrrole actuator.
Example a two-dimensional model of the polypyrrole actuator structure of this example was built in COMSOL according to the geometric parameters of the actual structure of the polypyrrole actuator shown in table 1, as shown in fig. 3.
Step 3: and establishing a charge transfer model of the polypyrrole actuator.
The method comprises the following steps: selecting a dilute species transfer module in an electrochemical field; selecting a transient study; the electrochemical performance parameters and the initial concentrations of three charges of anions, cations and electrons are given for the polypyrrole actuator, and the specific values of the electrochemical performance parameters are shown in table 1, and the electrochemical performance parameters required for the step include the diffusion coefficient of anions in the PPy layer, the diffusion coefficient of cations in the PPy layer, the diffusion coefficient of electrons in the PPy layer, the diffusion coefficient of anions in the PVDF layer, the diffusion coefficient of cations in the PVDF layer and the capacitance per unit volume; the charge transfer process in the polypyrrole actuator is described using the Nernst-Planck mass balance equation, thereby establishing a charge transfer model of the polypyrrole actuator in COMSOL.
The Nernst-Planck mass balance equation is:in this embodiment, i in the equation represents a transfer substance, and it is defined that i=1 represents a cation, i=2 represents an anion, and i=3 represents an electron. In the present embodiment, C i For the concentration of the respective transfer substance, i.e. C 1 Is the concentration of cation, C 2 Is the concentration of anions, C 3 Is the concentration of electrons; j (J) i For each substance flux, i.e. J 1 Is cation, J 2 Is an anion, J 3 Is an electron; d (D) i Representing the diffusion coefficient of each substance, i.e. D 1 Represents the cation diffusion coefficient, D 2 Represents the anion diffusion coefficient, D 3 Represents an electron diffusion coefficient; z i For each charge number of substance, i.e. z 1 Is the number of cationic charges, z 2 Is the number of anionic charges, z 3 Is the number of electron charges; u (u) i For ion mobility of substances, i.e. u 1 Is the dissociation of cationsSub-mobility, u 2 Ion mobility as anion, u 3 Ion mobility as electrons; phi is the potential.
Step 4: and establishing an electric field model of the polypyrrole actuator.
And (3) loading voltage to the upper polypyrrole of the two-dimensional model of the polypyrrole actuator established in the step (2), grounding the lower polypyrrole of the two-dimensional model, and setting electric field parameters of the polypyrrole actuator according to constitutive equation of an electric field.
The electric field constitutive equation isWherein (1)>For electric displacement vectors, ε 0 Epsilon for vacuum permittivity r Is the dielectric constant of the medium, +.>Is the electric field intensity vector.
Step 5: the concentration change process of three charges of anions, cations and electrons in the polypyrrole actuator is simulated.
And introducing a partial differential equation module in a general form, setting material property parameters, and coupling potential and charge density by using a poisson equation to obtain the change relation of three charge concentrations with time under the action of voltage. FIG. 4 shows the change curves of the cation concentration corresponding to different times in the present example, and it is understood from FIG. 4 that at the moment of energization, the cation concentration of the anode reaches the maximum at the time of t=2 seconds, but the peak value of the cation concentration distribution at t=30 seconds is less than 1500mol/L over time, and at any time, the cation concentration peak value occurs only at the interface between the polypyrrole connected to the anode and PVDF, and the cation concentration and initial value of 250mol/m are in the most of the ranges in the polypyrrole connected to the anode 3 Polypyrrole which is consistent and connected to the positive electrode has very little change in cation concentration. FIG. 5 shows the concentration of anions in this exampleA time-dependent curve. As can be seen from fig. 5, at t=0.2 seconds, the anion concentration reaches a maximum at the interface between the polypyrrole actuator and the right side of PVDF, and as time goes on, the anion concentration continues to increase and move to the rightmost end of the polypyrrole actuator, the anion concentration reaches a maximum of 4500mol/L at time t=2 seconds, and the anion concentration reaches equilibrium, i.e., almost no longer changes, so the anion concentration curve at time t=30 seconds and the anion concentration curve at time t=2 seconds almost overlap. Fig. 6 shows a graph of the electron concentration with time in the present embodiment, and as can be seen from fig. 6, the electron concentration varies exponentially, but the value is too small to be nearly 0. From the above simulation curves, it is clear that the deformation of the polypyrrole actuator is mainly dependent on the transfer of anions, and that the ion concentration cannot be changed by prolonging the loading time once the ion transfer reaches equilibrium under the condition of external load determination.
The poisson equation is:wherein ρ is the charge density, ">Is Faraday constant.
Step 6: establishing a mechanical model of the polypyrrole actuator: and (3) introducing a mechanical field, setting one end of the two-dimensional model of the polypyrrole actuator as a free end and the opposite other end as a full constraint, for example, setting the left end or the right end of the two-dimensional model of the polypyrrole actuator as a full constraint, correspondingly setting the right end or the left end of the two-dimensional model of the polypyrrole actuator as a free end, forming a cantilever structure, setting three layers of materials of the polypyrrole actuator as linear elastic materials, and endowing the materials with attribute parameters required by the step, including PPy elastic modulus, PPy density, PVDF elastic modulus and PVDF density, wherein the endowed specific values are shown in a table 1.
Step 7: establishing a multi-field coupling transient simulation model of the polypyrrole actuator: and (3) loading the simulation result obtained in the step (5) as a boundary condition on a mechanical model of the polypyrrole actuator, and coupling an electric field, a chemical field and a solid mechanical field to obtain a multi-field coupling transient simulation model of the polypyrrole actuator.
Step 8: ultra-fine grid division is carried out on a multi-field coupling transient simulation model of the polypyrrole actuator, transient research is adopted, and deformation of the polypyrrole actuator under multi-field coupling is calculated.
In this example, the longitudinal deformation of the polypyrrole actuator was 12.4mm at 30 seconds after the two-dimensional model of the polypyrrole actuator structural mechanics was applied with a voltage of 0.6V, as shown in fig. 7.
In order to verify the correctness of the charge transfer-based polypyrrole actuator mechanical simulation method, test verification is carried out on the simulation example, and test results show that under the action of 0.6V voltage, as shown in fig. 8, the test value of the Y-direction deformation of the free end of the polypyrrole actuator is 12mm, and the error is in an allowable range, so that the charge transfer-based polypyrrole actuator mechanical simulation method in the embodiment can calculate the concentration change of charges in the working process of the polypyrrole actuator and the change of the deformation of the polypyrrole actuator along with time.
Table 1 list of parameters used in the examples of the invention
The foregoing is merely illustrative of the present invention, and the present invention is not limited thereto, and any person skilled in the art will readily recognize that variations or substitutions are within the scope of the present invention. Therefore, the protection scope of the present invention shall be subject to the protection scope of the claims.
Claims (3)
1. The polypyrrole actuator mechanical simulation method based on the charge transfer model is characterized by comprising the following steps of:
step 1: acquiring parameters;
the parameters comprise geometrical parameters, material property parameters and electrochemical performance parameters of the polypyrrole actuator;
the method further comprises the following steps performed on COMSOL:
step 2: according to the geometric parameters of the polypyrrole actuator, a two-dimensional model of the polypyrrole actuator is established;
step 3: establishing a charge transfer model of the polypyrrole actuator;
step 4: establishing an electric field model of the polypyrrole actuator;
step 5: simulating the concentration change process of three charges of anions, cations and electrons in the polypyrrole actuator;
step 6: establishing a mechanical model of the polypyrrole actuator;
step 7: establishing a multi-field coupling transient simulation model of the polypyrrole actuator;
step 8: performing ultra-fine grid division on a multi-field coupling transient simulation model of the polypyrrole actuator, and calculating deformation of the polypyrrole actuator under multi-field coupling by adopting transient research;
the method for establishing the charge transfer model of the polypyrrole actuator in the step 3 is as follows: selecting a dilute substance transfer module in an electrochemical field, selecting transient research, endowing the required electrochemical performance parameters of the polypyrrole actuator and the initial concentration of three charges of anions, cations and electrons, describing the transfer process of the charges in the polypyrrole actuator by adopting a Nernst-Planck mass balance equation, and thus establishing a charge transfer model of the polypyrrole actuator in COMSOL;
the method for establishing the mechanical model of the polypyrrole actuator in the step 6 is as follows: introducing a mechanical field, fully restricting one end of a two-dimensional model of the polypyrrole actuator structural mechanics, setting the other end as a free end, forming a cantilever structure, and endowing required material attribute parameters;
the method for establishing the multi-field coupling transient simulation model of the polypyrrole actuator in the step 7 is as follows: and (3) loading the simulation result obtained in the step (5) as a boundary condition on a mechanical model of the polypyrrole actuator, and coupling an electric field, a chemical field and a solid mechanical field to obtain a multi-field coupling transient simulation model of the polypyrrole actuator.
2. The method for simulating the mechanics of a polypyrrole actuator based on a charge transfer model according to claim 1, wherein the method for creating the electric field model of the polypyrrole actuator in step 4 is as follows: and loading voltage on the upper polypyrrole of the two-dimensional model of the polypyrrole actuator, grounding the lower polypyrrole of the two-dimensional model, and setting electric field parameters of the polypyrrole actuator according to constitutive equation of an electric field.
3. The simulation method of polypyrrole actuator mechanics based on charge transfer model as set forth in claim 1, wherein the simulation method of concentration change process of three charges in polypyrrole actuator in step 5 is: and introducing a partial differential equation module, and coupling the electric potential and the charge density by using a poisson equation to obtain the change relation of three charge concentrations along with time under the action of voltage.
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