IDEAS home Printed from https://ideas.repec.org/a/gam/jmathe/v11y2023i4p964-d1067392.html
   My bibliography  Save this article

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

Author

Listed:
  • 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)

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.

Suggested Citation

  • Simeng Yan & Naisheng Guo & Xin Jin & Zhaoyang Chu & Sitong Yan, 2023. "The Study on Mathematical Simulation and Analysis of the Molecular Discrete System of the Sulfurated Eucommia Ulmoides Gum," Mathematics, MDPI, vol. 11(4), pages 1-22, February.
    • Handle: RePEc:gam:jmathe:v:11:y:2023:i:4:p:964-:d:1067392
    as

    Download full text from publisher

    File URL: https://www.mdpi.com/2227-7390/11/4/964/pdf
    Download Restriction: no
    File URL: https://www.mdpi.com/2227-7390/11/4/964/
    Download Restriction: no
    ---><---

    References listed on IDEAS

    as
    1. Alipour, Pedram & Toghraie, Davood & Karimipour, Arash & Hajian, Mehdi, 2019. "Modeling different structures in perturbed Poiseuille flow in a nanochannel by using of molecular dynamics simulation: Study the equilibrium," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 515(C), pages 13-30.
    Full references (including those not matched with items on IDEAS)

    Most related items

    These are the items that most often cite the same works as this one and are cited by the same works as this one.
    1. Alsarraf, Jalal & Moradikazerouni, Alireza & Shahsavar, Amin & Afrand, Masoud & Salehipour, Hamzeh & Tran, Minh Duc, 2019. "Hydrothermal analysis of turbulent boehmite alumina nanofluid flow with different nanoparticle shapes in a minichannel heat exchanger using two-phase mixture model," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 520(C), pages 275-288.
    2. Khaje khabaz, Moahamad & Eftekhari, S. Ali & Hashemian, Mohamad & Toghraie, Davood, 2020. "Optimal vibration control of multi-layer micro-beams actuated by piezoelectric layer based on modified couple stress and surface stress elasticity theories," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 546(C).
    3. Wu, Huawei & Bagherzadeh, Seyed Amin & D’Orazio, Annunziata & Habibollahi, Navid & Karimipour, Arash & Goodarzi, Marjan & Bach, Quang-Vu, 2019. "Present a new multi objective optimization statistical Pareto frontier method composed of artificial neural network and multi objective genetic algorithm to improve the pipe flow hydrodynamic and ther," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 535(C).
    4. Gediminas Skarbalius & Algis Džiugys & Edgaras Misiulis & Robertas Navakas & Paulius Vilkinis & Justas Šereika & Nerijus Pedišius, 2021. "Molecular Dynamics Study on Water Flow Behaviour inside Planar Nanochannel Using Different Temperature Control Strategies," Energies, MDPI, vol. 14(20), pages 1-13, October.
    5. Afrouzi, Hamid Hassanzadeh & Ahmadian, Majid & Moshfegh, Abouzar & Toghraie, Davood & Javadzadegan, Ashkan, 2019. "Statistical analysis of pulsating non-Newtonian flow in a corrugated channel using Lattice-Boltzmann method," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 535(C).
    6. Shahsavar, Amin & Bagherzadeh, Seyed Amin & Mahmoudi, Boshra & Hajizadeh, Ahmad & Afrand, Masoud & Nguyen, Truong Khang, 2019. "Robust Weighted Least Squares Support Vector Regression algorithm to estimate the nanofluid thermal properties of water/graphene Oxide–Silicon carbide mixture," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 525(C), pages 1418-1428.
    7. Hu, Chunhua & Lai, Shaoyong & Lai, Chong, 2020. "Investigations to the price evolutions of goods exchange with CES utility functions," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 549(C).
    8. Jourabian, Mahmoud & Rabienataj Darzi, A. Ali & Akbari, Omid Ali & Toghraie, Davood, 2020. "The enthalpy-based lattice Boltzmann method (LBM) for simulation of NePCM melting in inclined elliptical annulus," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 548(C).
    9. Dolatabadi, Peiman Davari & Khanlari, Karen & Ghafory Ashtiany, Mohsen & Hosseini, Mahmood, 2020. "System identification method by using inverse solution of equations of motion in time domain and noisy condition," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 538(C).
    10. Hadipeykani, Majid & Aghadavoudi, Farshid & Toghraie, Davood, 2020. "A molecular dynamics simulation of the glass transition temperature and volumetric thermal expansion coefficient of thermoset polymer based epoxy nanocomposite reinforced by CNT: A statistical study," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 546(C).

    More about this item

    Keywords

    EUG; MS; SEUG; cross-linking degree;
    All these keywords.

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:gam:jmathe:v:11:y:2023:i:4:p:964-:d:1067392. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    If CitEc recognized a bibliographic reference but did not link an item in RePEc to it, you can help with this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: MDPI Indexing Manager (email available below). General contact details of provider: https://www.mdpi.com .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.