Decane and water mixture nanoconfined by planar, amorphous and hydrophobic walls

ARIEL G. MEYRA; TOMAS GRIGERA; CARLOS G. FERRARA

Ciudad Autonoma de Buenos Aires

Conferencia; STATPHYS 2019; 2019

UBA-ICTP-EPS

In the last decades, the study of binary mixture (water-organic mixtures) has received a renewed atencion due to the exploitation of shale oil reservoir. Most of the studies in this filed have been done confining the mixtures in rigid walls. In the previous work (Study of nanoconfined mixtures of decane and water: structure and dynamic) we presented theresults obtained by molecular dynamics simulation in the NpT ensemble of n-decane /water liquid mixture confined in an amorphous hydrophobic nano-metric tube. In that work we analyze the influence of wall interaction and geometry. In this work we study, via moleculardynamics simulation, a binary mixture of n-Decane and water nanoconfined by a planar, amorphous and hydrophobic walls.