cff-version: 1.2.0
abstract: "<p>This folder contains simulation input files and datasets for calculation of pure component isotherms, mixture isotherms and breakthrough curves for the separation of:</p><p>1) CO2 and C3H8 molecules in MOR-type zeolite at 300K</p><p>2) nC4 and 2mC3 molecules in MFI-type zeolite at 400K</p>"
authors:
  - family-names: Sharma
    given-names: Shrinjay 
  - family-names: Rigutto
    given-names: Marcello S.
    orcid: "https://orcid.org/0000-0002-3671-3446"
  - family-names: Baur
    given-names: Richard
  - family-names: Agarwal
    given-names: Umang
    orcid: "https://orcid.org/0000-0002-5182-3141"
  - family-names: Zuidema
    given-names: Erik
  - family-names: Balestra
    given-names: Salvador R.G. 
  - family-names: Calero
    given-names: Sofia
  - family-names: Dubbeldam
    given-names: David
  - family-names: Vlugt
    given-names: Thijs
    orcid: "https://orcid.org/0000-0003-3059-8712"
title: "Sample simulation input file and data sets for the article: &#34;Modelling of adsorbate-size dependent explicit isotherms using a segregated approach to account for surface heterogeneities.&#34;"
keywords:
version: 1
identifiers:
  - type: doi
    value: 10.4121/9f0aec2f-8905-42ae-945d-32fbf4262969.v1
license: CC BY 4.0
date-released: 2023-04-14