Job ID: 137187

Computational Design of Natural Gas Separation Nanomaterials Ref.: Ref: 19PDR115

University de São Paulo

  • Jan. 29, 2020
  • Computational Design of Natural Gas Separation Nanomaterials Ref.: Ref: 19PDR115
  • Physics
  • University de São Paulo
    Sao Paulo, Sao Paulo
  • Feb. 15, 2020
  • Available Immediately
  • Post-Doc
  • Mechatronics
    Mechanical Engineering
    Engineering Physics
    Engineering Mechanics
    Engineering - Other

The high concentration of carbon dioxide in natural gas is currently a challenge in the oil industry. Several separation devices have been developed to isolate methane from other components, including the membrane technology. A challenge is to develop efficient filtering membranes exhibiting high selectivity and permeability to isolate methane from natural gas. The understanding of the phenomena involved in the transport of methane (CH4) and carbon dioxide (CO2) at the nanoscale is essential for the development of the future membranes for natural gas separation processes. In particular, the effects involving the mixture of these fluids, the spatial confinement, thermodynamic effects, among others, influencing the phase diagram. In this context, carbonbased nanomaterials are promising systems for the development of efficient CH4/CO2 separation membranes. Using a multi-scale scheme that combines first-principle calculations with molecular dynamics simulations, we will investigate the transport properties of CO2, CH4, and their mixture in carbon-based nanostructures to better understand the gas separation process, as well as, their effects on the natural gas phase diagram, and their dynamical and transport properties.

The objectives and activities to be developed in this project linked to projects 8 and 41 of the RCGI ( are: 1. Determination of CH4 / CO2 mixture bulk phase properties considering typical natural gas concentrations. Perform molecular dynamics simulations to determine: viscosity, diffusion and density under different temperature and pressure conditions; 2. Systematic study of the physical-chemical properties of natural gas confined within carbon nanotubes of different diameters and comparison with bulk phases counterpart. Determine the structural, dynamical and transport properties of natural gas whithin nanochannels by using molecular dynamics simulations; 3. Calculation of carbon nanotube selectivity for a given component and optimization of nanostructures for natural gas separation processes.

The prospective candidate should have a PhD in Physics, Nanoscience, Materials Science, Chemistry, Engineering or related of fields, and must have a strong previous track record in computational modelling. Ideal candidates should have a good knowledge of first-principles calculations and molecular Dynamics.

INFORMATION ABOUT FELLOWSHIP The selected candidate will receive a FAPESP Post-Doctoral fellowship in the amount of R$ 7.373,10 monthly payed in Reais and a research contingency fund (technical reserve), equivalent to 15% of the annual value of the fellowship which should be spent on items directly related to the research activity, as well as displacement funding, if necessary and applicable. More information about the fellowship is at:

There is the possibility of offering a Research Internship abroad (BEPE) during part of the postdoctoral assignment, if it is of interest to the project. In this situation, the selection of the institution and the period will be defined by the project coordinator, depending on the purpose of the internship and the needs of the project.

MORE INFORMATION AND APPLICATION AT http://www.rcgi.poli.usp/opportunities REF.: 19PDR115

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Contact Information

  • Karen Mascarenhas
    Human Resources
    University De São Paulo
    Av Prof Mello Moraes, 2231
    Cidade Universitaria - Butanta
    Sao Paulo, Sao Paulo 05508-030
  • +5511992011317

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