Evaluation method for diffusion effect of microwave sensitive type temperature regeneration agent in asphalt

By constructing and simulating a three-dimensional unit cell model of aged bitumen and microwave-sensitive temperature regenerators, the problem of lack of evaluation methods in the prior art is solved, and the scientific evaluation of the diffusion effect of microwave-sensitive temperature regenerators in asphalt is achieved, and the performance of the regenerators is improved.

CN119618917APending Publication Date: 2025-03-14CCCC FIRST HIGHWAY CONSULTANTS CO LTD
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Patent Information

Application Number
CN202411656276.5
Authority / Receiving Office
CN · China
Patent Type
Applications(China)
Current Assignee / Owner
Filing Date
2024-11-19
Publication Date
2025-03-14

AI Technical Summary

Technical Problem

The prior art lacks reliable evaluation methods to evaluate the diffusion effect of microwave-sensitive temperature regenerators in asphalt, which limits its practical application and promotion.

Method used

By constructing a three-dimensional unit cell model of aged bitumen and microwave-sensitive temperature regenerator, submolecular structure optimization and annealing operations were performed, the diffusion process under microwave field and temperature stirring conditions was simulated, and the diffusion coefficient was calculated to evaluate the diffusion effect.

Benefits of technology

A scientific and accurate evaluation of the diffusion process of microwave-sensitive temperature regenerators in aged bitumen is achieved, and a more effective method is provided to optimize the performance of regenerators.

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Abstract

The invention relates to a method for evaluating the diffusion effect of a microwave sensitive type temperature regenerant in asphalt, which comprises the following steps of: constructing an aged asphalt three-dimensional unit cell model and a microwave sensitive type temperature regenerant three-dimensional unit cell model, optimizing a submolecular structure, performing molecular dynamics calculation after annealing, and calculating the diffusion effect of the microwave sensitive type temperature regenerant. Then selecting a three-dimensional structure minimum energy conformation to construct a diffusion model of the microwave sensitive type temperature recycling agent in the aged asphalt; setting a reaction force field in the diffusion model, and simulating temperature conditions during regeneration diffusion; taking the x direction as a diffusion direction, setting x-direction microwave field parameters, and carrying out molecular dynamics calculation; and obtaining a root-mean-square displacement curve of the microwave sensitive type temperature regenerant, and calculating the diffusion coefficient of the microwave sensitive type temperature regenerant. According to the invention, microwave field characteristics are combined, a molecular dynamics simulation technology is utilized to simulate and quantitatively evaluate the diffusion process of the microwave sensitive type temperature regenerant in the molecular structure of the aged asphalt, and more scientific and accurate diffusion effect evaluation is realized.
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Description

Technical Field

[0001] The invention relates to the technical field of asphalt regeneration agents, and in particular to a method for evaluating the diffusion effect of a microwave-sensitive warm regeneration agent in asphalt. Background Art

[0002] Asphalt pavement is widely used in highways of all levels. Under the continuous and comprehensive effects of multiple factors such as traffic load and environment, most of the highways that were built and opened to traffic in the early stage have suffered from diseases to varying degrees. In order to ensure their normal service function, they need to be repaired and maintained. Therefore, asphalt pavement recycling technology has received more and more attention from all walks of life in the industry. At present, the recycling methods of asphalt pavement are mainly divided into on-site or factory-mixed hot recycling and cold recycling. Although the waste asphalt mixture treated by hot recycling technology can be comparable to the performance of ordinary hot-mixed asphalt mixture, the amount of waste asphalt mixture is usually only 20% to 30%, and the production and construction temperature requirements are high, the energy consumption is large, and the traditional heating method not only causes the secondary aging of asphalt in the waste asphalt mixture, but also releases a large amount of toxic and harmful gases; cold recycling technology can achieve 100% utilization of waste asphalt mixture, but cold recycled mixture is mainly used for low-grade highways or high-grade highway base, subbase or lower layers, and cold recycled mixture has significant problems such as long curing time, poor water stability and durability, and easy damage to the gradation of waste asphalt mixture.

[0003] In this context, the in-situ non-destructive warm regeneration technology of asphalt pavement came into being. This technology combines the advantages of low construction temperature of warm mix regeneration, high utilization rate of waste materials and uniform, efficient and environmentally friendly heating of microwave heating technology. By spraying the developed microwave-sensitive non-destructive warm regeneration agent on the surface of the original asphalt pavement, the response ability of the asphalt mixture to microwaves is improved, the mixing temperature is reduced, and the regeneration of the asphalt mixture under warm mix conditions is achieved. However, under the action of microwave field and warm mix conditions, the nano-diffusion mechanism of microwave-sensitive warm regeneration agent in aged asphalt is still unclear, and there is a lack of effective evaluation methods, which restricts the practical application and promotion of microwave-sensitive warm regeneration agent.

[0004] Therefore, it is necessary to propose new methods to make up for this deficiency. Summary of the invention

[0005] The purpose of the present invention is to provide a method for evaluating the diffusion effect of a microwave-sensitive warm regeneration agent in asphalt, so as to solve the problem of the current lack of a reliable method for evaluating the diffusion effect of a microwave-sensitive warm regeneration agent in asphalt.

[0006] In order to achieve the above object, the technical solution adopted by the present invention is:

[0007] A method for evaluating the diffusion effect of a microwave-sensitive warm regeneration agent in asphalt, the method comprising:

[0008] Construct three-dimensional unit cell models of aged asphalt and microwave-sensitive warm regeneration agent;

[0009] Sub-molecular structure optimization of the three-dimensional unit cell model of aged asphalt and the three-dimensional unit cell model of microwave-sensitive warm regeneration agent;

[0010] Perform annealing operation on the optimized model;

[0011] Molecular dynamics calculations were performed on the model after annealing to improve the molecular density of aged asphalt;

[0012] The minimum energy conformation of the three-dimensional structure of aged asphalt and microwave-sensitive warm regeneration agent is selected in the calculated model, and the diffusion model of microwave-sensitive warm regeneration agent in aged asphalt is constructed proportionally;

[0013] Setting the reaction force field in the diffusion model to simulate the temperature conditions during regeneration diffusion;

[0014] Taking the x direction as the diffusion direction, setting the x-direction microwave field parameters, and performing molecular dynamics calculations;

[0015] The root mean square displacement curve of the microwave-sensitive warm regenerated agent is obtained, and the diffusion coefficient of the microwave-sensitive warm regenerated agent is calculated.

[0016] Furthermore, a three-dimensional unit cell model of aged asphalt is constructed, including:

[0017] Use Materials Studio software to draw the four-component molecules of aged asphalt;

[0018] Construct a three-dimensional crystal cell model of aged asphalt through the Amorphous Cell function in the Modules module;

[0019] The four components of aged asphalt are 8 asphaltene molecules, 5 colloid molecules, 4 aromatic molecules and 2 saturated molecules.

[0020] Furthermore, a three-dimensional unit cell model of a microwave-sensitive warm regeneration agent is constructed, including:

[0021] The molecules of each component of microwave-sensitive warm regeneration agent were drawn using Materials Studio software;

[0022] The three-dimensional unit cell model of microwave-sensitive warm regeneration agent was constructed through the Amorphous Cell function in the Modules module;

[0023] The component molecules of the microwave-sensitive warm regeneration agent are 2 activator molecules, 2 aromatic oil molecules, 1 water molecule and 1 microwave-sensitive additive molecule.

[0024] Furthermore, the sub-molecular structure optimization of the three-dimensional crystal cell model of aged asphalt and the three-dimensional crystal cell model of microwave-sensitive warm regeneration agent was carried out through the Forcite function in the Modules module.

[0025] Furthermore, the optimized model is subjected to an annealing operation, including:

[0026] Through the Forcite function in the Modules module, the COMPASS force field was selected to perform a 500ps annealing operation on the constructed aged asphalt and microwave-sensitive warm regeneration agent unit cell model under NVT ensemble conditions.

[0027] Furthermore, molecular dynamics calculations were performed on the model after annealing to improve the molecular density of aged asphalt, including:

[0028] Through the Forcite function in the Modules module, the COMPASS force field was selected to run molecular dynamics calculations for 500ps on the model after annealing operation under NVT ensemble conditions, so that the molecular density of aged asphalt was close to the actual density.

[0029] Furthermore, the reaction force field is set in the diffusion model, specifically the COMPASS force field and NVT ensemble conditions;

[0030] In the diffusion model, non-periodic boundary conditions are used in the x direction, and periodic boundary conditions are used in the y and z directions.

[0031] Furthermore, the temperature conditions during the simulation of regeneration diffusion include:

[0032] The temperature was controlled between 363.15 K and 393.15 K using NVT ensemble conditions and a Nose-Hoover-Langevin thermostat to simulate the temperature conditions during the diffusion of the microwave-sensitive warm regenerant.

[0033] Furthermore, the x-direction microwave field parameters are set, including:

[0034] Create a Perl Script Document function to write a microwave field script to set the microwave field parameters in the x direction. Specifically:

[0035]

[0036] in:

[0037] E(t) and B(t) represent the applied electric and magnetic fields, respectively;

[0038] E0 is the applied electric field strength;

[0039] ω is the angular frequency;

[0040] t is the time variable;

[0041] is the unit vector in the x direction;

[0042] is the unit vector in the y direction;

[0043] is the unit vector in the z direction;

[0044] i is the scalar coefficient in the x direction;

[0045] j is the scalar coefficient in the y direction;

[0046] k is the scalar coefficient in the z direction.

[0047] Furthermore, the diffusion coefficient of the microwave-sensitive warm regenerator is calculated, including:

[0048]

[0049] in:

[0050] D is the diffusion coefficient;

[0051] r i (t) is the position vector of the particle in the group at time t;

[0052] N is the number of all diffusing particles in the system.

[0053] Compared with the prior art, the present invention has the following beneficial effects:

[0054] The present invention provides a method for evaluating the diffusion effect of a microwave-sensitive warm regeneration agent in asphalt. In combination with the characteristics of the microwave field, molecular dynamics simulation technology is used to simulate and quantitatively evaluate the diffusion process of the microwave-sensitive warm regeneration agent in the molecular structure of aged asphalt, thereby achieving a more scientific and accurate diffusion effect evaluation. BRIEF DESCRIPTION OF THE DRAWINGS

[0055] 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 or the description of the prior art will be briefly introduced below. Obviously, the drawings described below are only some embodiments of the present invention. For ordinary technicians in this field, drawings of other embodiments can be obtained based on these drawings without paying creative work.

[0056] Figure 1 This is a diagram of the molecular model of aged asphalt.

[0057] Figure 2 This is a molecular model diagram of microwave-sensitive warm regeneration agent.

[0058] Figure 3This is a diffusion model diagram of microwave-sensitive warm regeneration agent molecules and aged asphalt molecules.

[0059] Figure 4 This is the MSD curve of microwave-sensitive warm regeneration agent in aged asphalt. DETAILED DESCRIPTION

[0060] In order to facilitate the understanding of the present invention, the present invention will be described more fully below with reference to the relevant drawings. The preferred embodiments of the present invention are given in the drawings. However, the present invention can be implemented in many different forms and is not limited to the embodiments described herein. On the contrary, the purpose of providing these embodiments is to make the disclosure of the present invention more thoroughly understood.

[0061] It should be noted that similar reference numerals and letters represent similar items, and therefore, once an item is defined in one embodiment, it does not need to be further defined and explained in subsequent embodiments. In addition, the term "comprising" and the like and any variation thereof are intended to cover non-exclusive inclusions, for example, a process, method, system, product or device comprising a series of steps or units is not necessarily limited to those steps or units clearly listed, but may include other steps or units that are not clearly listed or inherent to these processes, methods, products or devices.

[0062] It should also be noted that although the order of steps is mentioned in the method description, in some cases, they may be performed in an order different from that shown here, and this should not be construed as a limitation on the order of the steps.

[0063] In the existing microwave-sensitive warm regeneration agent diffusion evaluation method in aged asphalt, there is a lack of nano-level analysis means and the microwave field effect and warm mixing conditions are not considered. The present invention provides a method for evaluating the diffusion effect of a microwave-sensitive warm regeneration agent in asphalt. Based on the molecular dynamics software Materials Studio (MS), a diffusion model of a microwave-sensitive warm regeneration agent in aged asphalt under the microwave field and warm mixing conditions is obtained, the diffusion process of the microwave-sensitive warm regeneration agent in aged asphalt is simulated, and its motion trajectory is recorded. The diffusion coefficient is calculated using the root mean square displacement curve, thereby evaluating its diffusion effect. The method specifically includes:

[0064] S1: Construct the three-dimensional unit cell model of aged asphalt and the three-dimensional unit cell model of microwave-sensitive warm regeneration agent. Including:

[0065] S101: Use Materials Studio software to draw the four-component molecules of aged asphalt;

[0066] S102: Construct a three-dimensional crystal cell model of aged asphalt using the Amorphous Cell function in the Modules module.

[0067] Among them, the four-component molecules of aged asphalt total 19 types of molecules, including 8 asphaltene molecules, 5 colloid molecules, 4 aromatic molecules and 2 saturated molecules.

[0068] S103: Use Materials Studio software to draw the components of microwave-sensitive warm regeneration agent;

[0069] S104: Construct a three-dimensional unit cell model of microwave-sensitive warm regeneration agent through the Amorphous Cell function in the Modules module;

[0070] Among them, the microwave-sensitive warm regeneration agent is a warm regeneration agent containing microwave-sensitive materials, and the component molecules are respectively 2 activator molecules, 2 aromatic oil molecules, a water molecule and a microwave-sensitive additive molecule.

[0071] The four-component molecules of aged asphalt and the components of microwave-sensitive warm regeneration agent can be selected according to the actual evaluation object, so as to evaluate the divergence effect of specific materials in a targeted manner.

[0072] S2: Sub-molecular structure optimization of the aged asphalt three-dimensional unit cell model and the microwave-sensitive warm regeneration agent three-dimensional unit cell model is performed using the Forcite function in the Modules module.

[0073] S3: Perform annealing operation on the optimized model, including:

[0074] Through the Forcite function in the Modules module, the COMPASS force field was selected to perform a 500ps annealing operation on the constructed crystal cell model of aged asphalt and microwave-sensitive warm regeneration agent under NVT ensemble conditions, making the molecular arrangement in its crystal cell structure more reasonable.

[0075] S4: Perform molecular dynamics calculations on the model after annealing to improve the molecular density of aged asphalt, including:

[0076] Through the Forcite function in the Modules module, the COMPASS force field was selected to run molecular dynamics calculations for 500ps on the model after annealing operation under NVT ensemble conditions, so that the molecular density of aged asphalt was close to the actual density.

[0077] S5: The minimum energy conformation of the three-dimensional structure of aged asphalt and microwave-sensitive warm regeneration agent is selected in the calculated model, and the diffusion model of microwave-sensitive warm regeneration agent in aged asphalt is constructed according to the mass ratio of microwave-sensitive warm regeneration agent to aged asphalt.

[0078] S6: Set up the reaction force field in the diffusion model to simulate the temperature conditions during regeneration diffusion.

[0079] In this step, the reaction force field is set in the diffusion model, specifically the COMPASS force field and the NVT ensemble condition. In the diffusion model, non-periodic boundary conditions are used in the x direction, and periodic boundary conditions are used in the y and z directions.

[0080] The temperature conditions during the regeneration diffusion are simulated, specifically including: using NVT ensemble conditions and Nose-Hoover-Langevin thermostat to control the temperature between 363.15K and 393.15K to simulate the temperature conditions during the diffusion of microwave-sensitive warm regeneration agent.

[0081] S7: Taking the x direction as the diffusion direction, set the x direction microwave field parameters, and perform 10 ns molecular dynamics calculation.

[0082] Set the x-direction microwave field parameters, including:

[0083] Create a Perl Script Document function to write a microwave field script to set the microwave field parameters in the x direction. Specifically:

[0084]

[0085] in:

[0086] E(t) and B(t) represent the applied electric and magnetic fields, respectively;

[0087] E0 is the applied electric field strength;

[0088] ω is the angular frequency;

[0089] t is the time variable;

[0090] is the unit vector in the x direction;

[0091] is the unit vector in the y direction;

[0092] is the unit vector in the z direction;

[0093] i is the scalar coefficient in the x direction;

[0094] j is the scalar coefficient in the y direction;

[0095] k is the scalar coefficient in the z direction.

[0096] S8: Obtain the root mean square displacement curve of the microwave-sensitive warm regeneration agent, and calculate the diffusion coefficient of the microwave-sensitive warm regeneration agent using the root mean square displacement curve. Specifically including:

[0097]

[0098] in:

[0099] D is the diffusion coefficient;

[0100] r i (t) is the position vector of the particle in the group at time t;

[0101] N is the number of all diffusing particles in the system.

[0102] The above method overcomes the problem that existing testing and analysis methods are difficult to evaluate the diffusion effect of microwave-sensitive warm regeneration agents in aged asphalt. Combined with the characteristics of microwave fields, molecular dynamics simulation technology is used to simulate and quantitatively evaluate the diffusion process of microwave-sensitive warm regeneration agents in the molecular structure of aged asphalt, thereby achieving a more scientific and accurate diffusion effect evaluation.

[0103] The following is a specific embodiment of the above method:

[0104] Embodiment 1:

[0105] Under the conditions of T = 373.15k (100℃), microwave field intensity E0 of 10V / nm, and microwave frequency of 2.45GHz, the diffusion coefficient of microwave sensitive warm regeneration agent in aged asphalt is D = 6.302×10 -6 cm 2 / s.

[0106] Embodiment 2:

[0107] Under the conditions of T = 383.15k (110℃), microwave field intensity E0 of 8V / nm, and microwave frequency of 2.45GHz, the diffusion coefficient of microwave sensitive warm regeneration agent in aged asphalt is D = 7.423×10 -6 cm 2 / s.

[0108] Embodiment 3:

[0109] Under the conditions of T = 383.15k (110℃), microwave field intensity E0 of 10V / nm, and microwave frequency of 2.45GHz, the diffusion coefficient of microwave sensitive warm regeneration agent in aged asphalt is D = 4.252×10 -5 cm 2 / s.

[0110] The above embodiment simulates the diffusion effect of microwave-sensitive warm regeneration agent in aged asphalt at different temperatures and microwave field intensities at the nanoscopic level by molecular dynamics software, and obtains its diffusion coefficient by using the root mean square displacement curve. It can be seen that the higher the temperature and the stronger the microwave field effect, the better the diffusion effect of microwave-sensitive warm regeneration agent in aged asphalt, which effectively evaluates the diffusion effect of microwave-sensitive warm regeneration agent in aged asphalt, realizes a simple and efficient diffusion process simulation and quantitative evaluation method, realizes a more scientific and accurate diffusion effect evaluation, and provides an important scientific basis for the improvement and optimization of microwave-sensitive warm regeneration agent.

[0111] The present invention also provides an evaluation system for the diffusion effect of a microwave-sensitive warm regeneration agent in asphalt, which is used to implement the above method, comprising:

[0112] A three-dimensional unit cell model building module is used to build a three-dimensional unit cell model of aged asphalt and a three-dimensional unit cell model of microwave-sensitive warm regeneration agent, corresponding to S1 of the above method;

[0113] An optimization module, used for sub-molecular structure optimization of the aged asphalt three-dimensional unit cell model and the microwave-sensitive warm regeneration agent three-dimensional unit cell model, corresponding to S2 of the above method;

[0114] Annealing module, used to perform annealing operation on the optimized model, corresponding to S3 of the above method;

[0115] The first calculation module is used to perform molecular dynamics calculation on the model after the annealing operation to improve the molecular density of the aged asphalt, corresponding to S4 of the above method;

[0116] A diffusion model construction module is used to select the minimum energy conformation of the three-dimensional structure of aged asphalt and microwave-sensitive warm regeneration agent in the calculated model, and to construct a diffusion model of the microwave-sensitive warm regeneration agent in the aged asphalt in proportion, corresponding to S5 of the above method;

[0117] A setting module, used to set the reaction force field in the diffusion model to simulate the temperature conditions during the regeneration diffusion, corresponding to S6 of the above method;

[0118] The second calculation module is used to set the microwave field parameters in the x direction and perform molecular dynamics calculations, which corresponds to S7 of the above method, with the x direction as the diffusion direction;

[0119] The diffusion coefficient calculation module is used to obtain the root mean square displacement curve of the microwave-sensitive warm regeneration agent and calculate the diffusion coefficient of the microwave-sensitive warm regeneration agent, corresponding to S8 of the above method.

[0120] Those skilled in the art will appreciate that all or part of the functions of the embodiments of the present invention may be implemented by hardware or by computer programs. When all or part of the functions in the above-mentioned embodiments are implemented by computer programs, the program may be stored in a computer-readable storage medium, and the storage medium may include: a read-only memory, a random access memory, a disk, an optical disk, a hard disk, etc., and the program is executed by a computer to implement the above-mentioned functions. For example, the program is stored in the memory of the device, and when the program in the memory is executed by the processor, all or part of the above-mentioned functions can be implemented. In addition, when all or part of the functions in the above-mentioned embodiments are implemented by computer programs, the program may also be stored in a storage medium such as a server, another computer, a disk, an optical disk, a flash disk or a mobile hard disk, and is downloaded or copied and saved in the memory of the local device, or the system of the local device is updated, and when the program in the memory is executed by the processor, all or part of the functions in the above-mentioned embodiments can be implemented.

[0121] The above specific examples are used to illustrate the present invention, which is only used to help understand the present invention and is not intended to limit the present invention. For those skilled in the art, according to the concept of the present invention, some simple deductions, modifications or substitutions can be made.

Claims

1. A method for evaluating the diffusion effect of a microwave-sensitive warm regeneration agent in asphalt, characterized in that: The method comprises: Construct three-dimensional unit cell models of aged asphalt and microwave-sensitive warm regeneration agent; Sub-molecular structure optimization of the three-dimensional unit cell model of aged asphalt and the three-dimensional unit cell model of microwave-sensitive warm regeneration agent; Perform annealing operation on the optimized model; Molecular dynamics calculations were performed on the model after annealing to improve the molecular density of aged asphalt; The minimum energy conformation of the three-dimensional structure of aged asphalt and microwave-sensitive warm regeneration agent is selected in the calculated model, and the diffusion model of microwave-sensitive warm regeneration agent in aged asphalt is constructed proportionally; Setting the reaction force field in the diffusion model to simulate the temperature conditions during regeneration diffusion; Taking the x direction as the diffusion direction, setting the x-direction microwave field parameters, and performing molecular dynamics calculations; The root mean square displacement curve of the microwave-sensitive warm regenerated agent is obtained, and the diffusion coefficient of the microwave-sensitive warm regenerated agent is calculated.

2. The method for evaluating the diffusion effect of a microwave-sensitive warm regenerating agent in asphalt according to claim 1, characterized in that: Construct a three-dimensional unit cell model of aged asphalt, including: Use Materials Studio software to draw the four-component molecules of aged asphalt; Construct a three-dimensional crystal cell model of aged asphalt through the Amorphous Cell function in the Modules module; The four components of aged asphalt are 8 asphaltene molecules, 5 colloid molecules, 4 aromatic molecules and 2 saturated molecules.

3. The method for evaluating the diffusion effect of a microwave-sensitive warm regenerating agent in asphalt according to claim 2, characterized in that: Construct a three-dimensional unit cell model of microwave-sensitive warm regeneration agent, including: The molecules of each component of microwave-sensitive warm regeneration agent were drawn using Materials Studio software; The three-dimensional unit cell model of microwave-sensitive warm regeneration agent was constructed through the Amorphous Cell function in the Modules module; The component molecules of the microwave-sensitive warm regeneration agent are 2 activator molecules, 2 aromatic oil molecules, 1 water molecule and 1 microwave-sensitive additive molecule.

4. The method for evaluating the diffusion effect of a microwave-sensitive warm regenerating agent in asphalt according to claim 3, characterized in that: The sub-molecular structure optimization of the three-dimensional crystal cell model of aged asphalt and the three-dimensional crystal cell model of microwave-sensitive warm regeneration agent was carried out through the Forcite function in the Modules module.

5. The method for evaluating the diffusion effect of a microwave-sensitive warm regenerating agent in asphalt according to claim 4, characterized in that: Perform annealing on the optimized model, including: Through the Forcite function in the Modules module, the COMPASS force field was selected to perform a 500ps annealing operation on the constructed aged asphalt and microwave-sensitive warm regeneration agent unit cell model under NVT ensemble conditions.

6. The method for evaluating the diffusion effect of a microwave-sensitive warm regenerating agent in asphalt according to claim 5, characterized in that: Molecular dynamics calculations were performed on the model after annealing to improve the molecular density of aged asphalt, including: Through the Forcite function in the Modules module, the COMPASS force field was selected to run molecular dynamics calculations for 500ps on the model after annealing operation under NVT ensemble conditions, so that the molecular density of aged asphalt was close to the actual density.

7. The method for evaluating the diffusion effect of a microwave-sensitive warm regenerating agent in asphalt according to claim 6, characterized in that: Set the reaction force field in the diffusion model, specifically the COMPASS force field and NVT ensemble conditions; In the diffusion model, non-periodic boundary conditions are used in the x direction, and periodic boundary conditions are used in the y and z directions.

8. The method for evaluating the diffusion effect of a microwave-sensitive warm regenerating agent in asphalt according to claim 7, characterized in that: Simulate temperature conditions during regeneration diffusion, including: The temperature was controlled between 363.15 K and 393.15 K using NVT ensemble conditions and a Nose-Hoover-Langevin thermostat to simulate the temperature conditions during the diffusion of the microwave-sensitive warm regenerant.

9. The method for evaluating the diffusion effect of a microwave-sensitive warm regenerating agent in asphalt according to claim 8, characterized in that: Set the x-direction microwave field parameters, including: Create a Perl Script Document function to write a microwave field script to set the microwave field parameters in the x direction. Specifically: in: E(t) and B(t) represent the applied electric and magnetic fields, respectively; E0 is the applied electric field strength; ω is the angular frequency; t is the time variable; is the unit vector in the x direction; is the unit vector in the y direction; is the unit vector in the z direction; i is the scalar coefficient in the x direction; j is the scalar coefficient in the y direction; k is the scalar coefficient in the z direction.

10. The method for evaluating the diffusion effect of a microwave-sensitive warm regenerating agent in asphalt according to claim 9, characterized in that: Calculate the diffusion coefficient of microwave-sensitive warm regenerants, including: in: D is the diffusion coefficient; r i (t) is the position vector of the particle in the group at time t; N is the number of all diffusing particles in the system.

Citation Information

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