Multiscale molecular modeling of nanostructures for natural gas separation processes

• Grant number: 18/16803-9
• Support Opportunities: Scholarships in Brazil - Post-Doctoral
• Start date: October 01, 2018
• End date: May 31, 2022
• Field of knowledge: Engineering - Mechanical Engineering - Transport Phenomena
• Agreement: 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

Abstract

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.

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, NOV 1 2019. (14/50279-4, 18/16803-9)