The Theoretical Study of Molecular Dynamics To Design An Ultra-nano- Filtration For Diazinon Removal In Water Median

Jokar, Mahmoud; Safaralizadeh, Mohammad Hassan; Hadizadeh, Farzin H; Rahmani, Fatemeh; Kalani, Mohammad Reza

doi:10.21608/eajbsa.2015.12914

The Theoretical Study of Molecular Dynamics To Design An Ultra-nano- Filtration For Diazinon Removal In Water Median

Document Type : Original Article

Authors

¹ Departments of Entomology and Plant Pathology, University of Urmia, Urmia, Iran

² Mashhad University of Medical Sciences, Faculty of Medicine, Pharmacy, Mashhad, Iran

³ Division of Genetic, Department of Biology, Urmia University, Urmia, Iran

⁴ School of Medicine, Mashhad University of Medical Sciences, Mashhad, Iran

10.21608/eajbsa.2015.12914

Abstract

Accumulation of pesticides in particular organophosphorus in water achieved a global warning. Therefore, acquiring technical knowledge on ultrafiltration is necessary in environmental purification. Theoretical designs are the first step in construction of a successful commercial product. In this research, three models of single-wall-carbon-nanotube (SWCNTs) were simulated by NAMD software to assess potential application as an adsorbent. Diazinon entrapping in SWCNTs is the desirable result. Three SWCNT models include: CNT 5,20 (diameter 5 nm, length 20 nm), CNT 10,20 (diameter 10 nm, length 20 nm) and CNT 10,20-SEM (diameter 10 nm, length 20 nm by flowing water and external electrical filed). The CNT 10,20-SEM demonstrated suitable entrapping process and potential ability to apply in industrial filtration.

Keywords