ABSTRACT

Graphene, a two-dimensional nanomaterial, is a promising material for desalination and purification of organic and inorganic pollutants in the aqueous system. This review illustrates recent advancement and development using molecular dynamics simulations on graphene-based materials, including graphene and derivatives such as graphene oxide, for water purification applications. To this end, we discuss the performance of graphene-based materials for removing various water pollutants from aqueous media, such as salt, metallic ions, anions, and organic chemicals. This article is envisaged to be valuable for readers to understand the design and performance of various graphene-based membranes as the key components for the next-generation membrane technologies.

摘要

石墨烯是一种二维纳米材料，是一种有前途的材料，可用于淡化和纯化水性系统中的有机和无机污染物。这篇综述说明了使用分子动力学模拟对石墨烯基材料（包括石墨烯和诸如氧化石墨烯的衍生物）进行水净化应用的最新进展和发展。为此，我们讨论了石墨烯基材料从水性介质中去除各种水污染物（例如盐，金属离子，阴离子和有机化学物质）的性能。设想本文对于读者理解作为下一代膜技术的关键组件的各种石墨烯基膜的设计和性能非常有价值。