Molecular simulation on the rheological properties of phenolic resins during crosslinking

被引：1

作者：

Qiao, Yu ^{[1
,2
]}

Sun, Bing ^{[3
]}

Wang, Hongtao ^{[3
]}

Dong, Lei

Wu, Jianyu ^{[1
]}

Wang, Yanping ^{[1
]}

机构：

[1] Inner Mongolia Univ Technol, Sch Chem Engn, Hohhot 010051, Peoples R China

[2] Chinese Acad Sci, CAS Key Lab Green Proc & Engn, Inst Proc Engn, Beijing 100190, Peoples R China

[3] Dynam Machinery Inst Inner Mongolia, Hohhot 010010, Peoples R China

来源：

COMPUTATIONAL MATERIALS SCIENCE | 2024年 / 231卷

关键词：

Phenol-formaldehyde resin; Molecular dynamics simulation; Cross; -linking; Viscosity; Molecular weight; RESOL RESIN; DYNAMICS SIMULATIONS; CURING KINETICS; VISCOSITY; EVOLUTION; GELATION; MODEL; CURE;

D O I：

10.1016/j.commatsci.2023.112572

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

In this paper, the variations in the viscosity and molecular weight of phenol-formaldehyde resin (PF) before gelation were simulated by the molecular dynamics simulation (MD) method, and a new mathematical model was developed to describe the rheological properties of PF. The modeling of PFs with different degrees of crosslinking was developed by using a new crosslinking program. The simulation results show that the gel point for the PF model is at 54% degree of crosslinking. The mathematical model shows that the higher the temperature of the system is, the lower the initial viscosity of the model. This study provides a new rheological model for controlling the curing process and the final performance of thermosetting resins.

引用

页数：10

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