The Study on Mathematical Simulation and Analysis of the Molecular Discrete System of the Sulfurated Eucommia Ulmoides Gum

Simeng Yan (), Naisheng Guo, Xin Jin, Zhaoyang Chu and Sitong Yan
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Simeng Yan: College of Transportation Engineering, Dalian Maritime University, Dalian 116026, China
Naisheng Guo: College of Transportation Engineering, Dalian Maritime University, Dalian 116026, China
Xin Jin: School of Transportation Engineering, Shenyang Jianzhu University, Shenyang 110168, China
Zhaoyang Chu: College of Transportation Engineering, Dalian Maritime University, Dalian 116026, China
Sitong Yan: College of Communication, Tonghua Normal University, Tonghua 134002, China

Mathematics, 2023, vol. 11, issue 4, 1-22

Abstract: In recent years, sulfurized eucommia ulmoides gum (SEUG) has been used and developed in many fields due to its good properties. The cross-linking degree is crucial to the performance of SEUG. In order to explore the effect of the cross-linking degree on SEUG in depth, this paper combines macroscopic and microscopic techniques, and molecular discrete system models of EUG and SEUG with different cross-linking degrees are calculated by molecular dynamics simulation, and the density and solubility parameters of EUG, glass transition temperature, radial distribution function and mechanical property parameters of SEUG are derived. The results show that (1) the suitable minimum degree of polymerization of EUG is N = 30; (2) the degree of cross-linking has a significant effect on the intramolecular radial distribution of SEUG, but it has a small effect on the intermolecular radial distribution of SEUG; (3) the degree of cross-linking of SEUG should be controlled to be between 40% and 80% because the mechanical properties of SEUG, namely the bulk modulus, shear modulus, elastic modulus, Poisson’s ratio, Corsi pressure, are the best ones. Therefore, the conclusions of this study provide a theoretical basis for engineering practices.

Keywords: EUG; MS; SEUG; cross-linking degree (search for similar items in EconPapers)
JEL-codes: C (search for similar items in EconPapers)
Date: 2023
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