Atomistic and continuum scale modeling of functionalized graphyne membranes for water desalination

Raju, Muralikrishna; Govindaraju, Pavan B.; van Duin, Adri C.  T.; Ihme, Matthias

doi:10.1039/C7NR07963J

Title: Atomistic and continuum scale modeling of functionalized graphyne membranes for water desalination

Journal Article · Mon Jan 01 00:00:00 EST 2018 · Nanoscale

DOI:https://doi.org/10.1039/C7NR07963J· OSTI ID:1470142

^[1]; Govindaraju, Pavan B. ^[1]; van Duin, Adri C. T. ^[2];

^[1]

Department of Mechanical Engineering; Stanford University; Stanford; USA
Department of Mechanical and Nuclear Engineering; The Pennsylvania State University; University Park; USA

Atomistic-scale simulations and upscale analysis are performed to examine permeability and desalination performance of functionalized graphyne membranes, characterizing the potential of energy savings and enhanced recovery rates in application to reverse osmosis desalination systems.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Fluid Interface Reactions, Structures and Transport Center (FIRST)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

DOE Contract Number:: ERKCC61

OSTI ID:: 1470142

Journal Information:: Nanoscale, Vol. 10, Issue 8; Related Information: FIRST partners with Oak Ridge National Laboratory (lead); Argonne National Laboratory; Drexel University; Georgia State University; Northwestern University; Pennsylvania State University; Suffolk University; Vanderbilt University; University of Virginia; ISSN 2040-3364

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

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Title: Atomistic and continuum scale modeling of functionalized graphyne membranes for water desalination

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