NEMD simulation data for methane-brine two-phase flow in quartz nanopores

Published: 29 May 2026| Version 1 | DOI: 10.17632/m4chdzr746.1
Contributor:
Shanqi Liu

Description

This dataset contains LAMMPS fix ave/chunk output files from non-equilibrium molecular dynamics (NEMD) simulations reported in the associated publication. The files contain spatially binned density and velocity profiles from production runs. eqmch4.dat contains methane profiles and eqmwt.dat contains water profiles. For each condition, the last 3 ns of data under steady-state conditions were used for analysis. For detailed simulation parameters and analysis methods, please refer to the associated paper.

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Molecular Dynamics

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