The Behavior of Cyclohexane Confined in Slit Carbon Nanopore

TL;DR

This study uses molecular dynamics simulations to explore how cyclohexane behaves when confined in narrow carbon slit pores, revealing increased freezing temperatures and structural changes due to confinement.

Contribution

It provides new insights into the structural and phase behavior of cyclohexane under nanoscale confinement in carbon slit pores.

Findings

System freezes at smaller pore widths.

Freezing temperature is higher than in bulk cyclohexane.

Confinement induces local structural and orientational order.

Abstract

It is well known that confining a liquid into a pore strongly alters the liquid behavior. Investigations of the effect of confinement are of great importance for many scientific and technological applications. Here we present a molecular dynamics study of the behavior of cyclohexane confined in carbon slit pores. The local structure and orientational ordering of cyclohexane molecules are investigated. It is shown that the system freezes with decreasing the pore width, and the freezing temperature of nanoconfined cyclohenae is higher than the bulk one.