cff-version: 1.2.0
abstract: "<p>This dataset contains sample simulation input files to run Molecular Dynamics simulations of mixtures of CO2, monoethanolamine (MEA), and water. </p>"
authors:
  - family-names: Polat
    given-names: Mert
    orcid: "https://orcid.org/0000-0003-0494-4829"
  - family-names: Vlugt
    given-names: Thijs
    orcid: "https://orcid.org/0000-0003-3059-8712"
  - family-names: A Moultos
    given-names: Othonas
  - family-names: de Meyer
    given-names: Frederick
  - family-names: Houriez
    given-names: Celine
  - family-names: Coquelet
    given-names: Christophe
title: "Sample simulation files for &#34;Transport properties of mixtures of acid gases with aqueous monoethanolamine solutions: A molecular dynamics study&#34;"
keywords:
version: 1
identifiers:
  - type: doi
    value: 10.4121/22015112.v1
license: CC0
date-released: 2023-02-21