# metadata.dc.description[].value
Treballs Finals de Màster en Física dels Sistemes Complexos i Biofísica, Facultat de Física, Universitat de Barcelona. Curs: 2021-2022. Tutor: Giancarlo Franzese

# metadata.dc.description.abstract[].value
Water pollution and renewable energy sources are a matter of broad concern, both environmental
challenges for our society. For its applications in the chemical and pharmaceutical industry, production
of synthetic fibers and plastic, and as a fuel additive, methanol attracts interest for how to model
its properties when mixed with water. Here, we consider a minimalistic model for a water-methanol
mixture confined between two parallel graphene nanosheets and analyze the diffusion coefficient of
each component as the slit-pore’s width δ increases. We find that layering in the hydrophobic pore
induces segregation between the two components. The methanol apolar moiety accumulates near
the pore walls, while water populates more in the central layer away from the hydrophobic walls.
Furthermore, both liquids have a diffusion coefficient that changes non-monotonically with δ, with
water always diffusing faster than methanol. Changes in the pore widths affect the two mixture components
in different amounts, suggesting the possibility of an efficient method for methanol-water
separation based on a physical procedure.

# metadata.dc.rights[].value
cc-by-nc-nd (c) Bellido Peralta, Roger, 2022

# metadata.dc.source[].value
Màster Oficial - Física dels Sistemes Complexos i Biofísica