Simulations by Oak Ridge National Laboratory and Rensselaer Polytechnic Institute reveal the potential of graphene oxide frameworks, pictured in black, to remove contaminants such as salt ions, seen in blue and green, from water. Credit: Adrien Nicolaï/RPI. Computational modeling has given materials researchers new insight into the properties of a membrane that purifies saltwater into potable water. The resulting technology could help speed up inefficient desalination processes in use today. Researchers at Oak Ridge National Laboratory and Rensselaer Polytechnic Institute used supercomputer simulations at RPI’s Center for Computational Innovations to explore the purification potential of a hybrid material called graphene oxide frameworks, or GOFs, first introduced in 2010. “This is basically sheets of oxidized graphene connected by specific chemical linkers from some of the oxidation sites,” said ORNL’s Bobby Sumpter. “Because it’s composed mainly of strongly bonded carbon, it doesn’t decompose in water and has good mechanical properties. It’s an exciting material with potential for numerous applications.” Initially intrigued by GOFs’ tunable electronic properties, Sumpter and RPI’s Vincent Meunier soon realized the material could be used as a desalination membrane. Read more at: Phys.org
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