Investigating the effect of coating operational pipes of Shahid Hasheminejad Gas Refinery with Magnetic Graphene to prevent corrosion using simulation with LAMMPS molecular dynamics software

Graphene-based nanostructures are promising materials due to their exceptional mechanical, electrical, and thermal properties, making them valuable for various applications such as electronics, energy storage, and composite materials. Recently, various methods have been introduced for synthesizing graphene nanostructures, including chemical vapor deposition, mechanical exfoliation, and liquid phase exfoliation. In addition to these common methods, using a new group of structures can improve the efficiency of graphene synthesis in practical applications. In the current research, we used the molecular dynamics (MD) approach to produce graphene nanosheets from an ideal graphite sample. For this purpose, MD simulations were conducted in two main phases. In the first phase, the physical stability of a magnetic graphite system (in the presence of an external magnetic field) was assessed by calculating kinetic and potential energies. In the next step, magnetic molecules facilitate effective collision on pristine graphite. MD outputs showed that the number of graphene nanosheets produced reached ۴۰, with ۱۲۵۲ carbon atoms immobilized in these nanosheets. Based on these results, we conclude that the designed magnetic graphene nanosheet production process can be effectively used to coat the operating pipes of Shahid Hasheminejad Gas Refinery as a promising method in practical applications.

کلیدواژه ها:

Corrosion ، Graphene ، Coating ، Molecular Dynamics Simulation