“Mechanical Quaum Calculations and Molecular Dynamics Simulation Ieraction of Water Molecules with Differe Graphhenxide Structures” Mohsen Abbaspour’s research project is a member of the faculty of Hakim Sabzevari University, which has ended with the support of the National Iranian Science Foundation.
According to the National Relations of the National Science Foundation of Iran (Insf), “Mechanical Quaum calculations and molecular dynamics simulation of water molecules with differe graphenexide structures” Mohsen Abbaspour’s research project is a member of the Iranian University of Hakim Sabzevari.
Abbaspour explained this project with a PhD in Chemistry – Chemistry Physics from Ferdowsi University of Mashhad: Grafenxide has various poteial applications in electronics, energy storage, solar cells, biological technologies and separating molecular membranes. In rece years, there has been a keen ierest in graphenexide membranes for rapid transfer of water in applications such as desalination and water purification and moisture.
He added: Most theoretical studies and molecular dynamics simulations conducted in the “graphenexide+water” system use approximate, unrealistic and irreparable ieraction poteial, and do not actually imply the behavior of ties and angles between atoms.
The researcher and researcher said: “There are only one specific group or structure of graphenexide. In fact, the more accurate and realistic the ier -molecular poteial function function, the better the results of the experience.
He said: “So far, the model of precise and real poteial that can predict the ieractions between graphenexide and water has not been proposed.” The poteial of the new ierstelcry ieraction poteial and graphene structures can be a reputable reference for further precise calculations.
At the end, Abbaspour noted: Optimizing the types of geometric structures of graphenexide and water in various orieations were among the goals of this project. The results of this design can also be used in research on calculations and graphenexide simulations in the blue environme.
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(tagstotranslate) Graphhen (T) National Foundation of Science
