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Multiscale molecular modeling of nanostructures for natural gas separation processes

Grant number: 18/16803-9
Support Opportunities:Scholarships in Brazil - Post-Doctoral
Effective date (Start): October 01, 2018
Effective date (End): May 31, 2022
Field of knowledge:Engineering - Mechanical Engineering - Transport Phenomena
Acordo de Cooperação: BG E&P Brasil (Shell Group)
Principal Investigator:Julio Romano Meneghini
Grantee:Naiyer Razmara
Host Institution: Escola Politécnica (EP). Universidade de São Paulo (USP). São Paulo , SP, Brazil
Associated research grant:14/50279-4 - Brasil Research Centre for Gas Innovation, AP.PCPE


Understanding the transport of methane and carbon dioxide at the nanoscale is of great importance for the development of future applications in natural gas separation processes. Inparticular, phenomena which involve their mixture, confinement and thermodynamic effects, among others on the natural gas phase diagram. Carbon-based nanomaterials are the most promising channels for membranes devices on CH4/CO2 separation. Using molecular simulations based on Molecular Dynamics, we will investigate the transport properties of CO2 and CH4 and their mixture in carbon-based nanostructures and membranes to better understandthe phenomena as gas separation, phase diagram and transport and dynamic properties.

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Scientific publications
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
RAZMARA, NAIYER; NAMARVARI, HOSSEIN; MENEGHINI, JULIO ROMANO. A new correlation for viscosity of model water-carbon nanotube nanofluids: Molecular dynamics simulation. JOURNAL OF MOLECULAR LIQUIDS, v. 293, . (14/50279-4, 18/16803-9)

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