Method for characterizing epoxy resin composite material interface mechanism

An epoxy resin and composite material technology, which is applied in the fields of analysis materials, electrical digital data processing, special data processing applications, etc., can solve the problems of high experimental cost, unstable experimental results, and high technical requirements, and the method is simple and easy to implement. , The experimental effect is stable and reliable, and the effect of reducing the experimental time and cycle

Inactive Publication Date: 2013-08-21
HARBIN INST OF TECH
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Problems solved by technology

[0006] The purpose of the present invention is to solve the current problem of using molecular self-assembled membrane technology to study the interface phenomenon of epoxy resin composite materials, which has high technical requirements, high cost of building experiments with Au elements, and unstable experimental results, etc., and provides a characterization Methods of Interfacial Mechanism in Epoxy Resin Composites

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  • Method for characterizing epoxy resin composite material interface mechanism
  • Method for characterizing epoxy resin composite material interface mechanism
  • Method for characterizing epoxy resin composite material interface mechanism

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specific Embodiment approach 1

[0012] Specific Embodiment 1: The method for characterizing the interface mechanism of epoxy resin composite materials in this embodiment is implemented according to the following steps: 1. Establish an Au(111) surface model, and then calculate the concentration of thiol molecules on Au according to density functional theory and molecular dynamics methods. Surface self-assembled adsorption structure, and determine the structural parameters, and simulate the self-assembled modeled system; 2. Add an epoxy resin layer on the surface of the self-assembled modeled system to establish the interface structure between the modeled system and epoxy resin; 3. The molecular dynamics method was used to calculate the interface structure, and the influence of different functional groups and different chain lengths on the interface properties of epoxy resin composites was evaluated.

[0013] In this embodiment, the Au(111) surface structure unit such as figure 1 Shown, where A is 1×1, B is ...

specific Embodiment approach 2

[0014] Embodiment 2: The difference between this embodiment and Embodiment 1 is: in step 1, use the simulated Au(111) surface to adsorb the short-chain thiol molecular structure, establish a short-chain surface adsorption model, and then perform density functional theory Calculation, and based on the calculation results of the density functional theory of the short-chain surface adsorption model, the initial structure model of the long-chain thiol molecule adsorbed on the Au(111) surface was simulated and calculated, and the molecular dynamics calculation was performed to simulate the self-assembled model system. Other steps and parameters are the same as those in Embodiment 1.

specific Embodiment approach 3

[0015] Specific embodiment three: the difference between this embodiment and specific embodiment two is: the short-chain thiol molecules in the short-chain surface adsorption model are established in step one as methyl mercaptan and 2-mercaptoethanol; the adsorption structure with coverage Θ=1 use lattice unit to 2.03 As the initial adsorption height of the S atom, and using the default molecular bond length of the Cerius2 software as the initial bond length, the S-C bond length is 1.81 The C-H bond length is 1.14 C-C bond length is 1.54 C-O bond length is 1.51 O-H bond length is 1.11 The included angle θ of the S-C bond relative to the surface normal is 30°-60°. Other steps and parameters are the same as those in Embodiment 2.

[0016] In this embodiment, the included angle θ of the S-C bond relative to the surface normal is selected from multiple values ​​between 30° and 60° for calculation.

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Abstract

A method for characterizing the interface mechanism of epoxy resin composite material relates to a method for characterizing the interface mechanism of epoxy resin composite material, which solves the problems, such as high requirement for technology, high cost in experiment constructed by Au element and instable effect of experiment, of the research of interface phenomena of epoxy resin composite material through the current molecular self-assembly film technology. The method comprises: 1, simulation to obtain self-assembly modeling system; 2, establishment of the interface structure of the modeling system and epoxy resin; 3, calculation for the interface structure through molecular dynamics to evaluate the effects of different functional groups on the interface performance of epoxy resin composite material. The invention is easy to implement without actual operation, requirement in operating skill or use of Au element to save a lot of research fees with stable and reliable experimental result and greatly reduced experimental time and period.

Description

technical field [0001] The invention relates to a method for characterizing the interface mechanism of resin composite materials. Background technique [0002] The interface of resin composite material is a very important microstructure. As a "bridge" connecting the reinforcement and the matrix, it directly affects the transmission and dispersion of stress between the composite fiber and the matrix, thereby affecting the off-axis performance of the composite material; the performance of the interface It will also affect the damage accumulation and crack propagation process inside the composite material, thereby affecting the fracture toughness of the composite material; and the interface also has a certain impact on the environmental stability of the composite material. [0003] At present, a unified understanding of the mechanism of the interface has not yet been obtained, especially the relationship between the characteristics of the interface chemical reaction, interface ...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G01N33/00G06F17/50
Inventor 贾近黄玉东刘亚维张红星
Owner HARBIN INST OF TECH
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