***Vapor sorption in binary polymer brushes:  theeffect of the polymer-polymer interface***
Authors: Leon A. Smook, Guido C. Ritsema van Eck, Sissi de Beer
Sustainable Polymer Chemistry Group, Department of Molecules & Materials, MESA+ Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede, The Netherlands

Contact information:
s.j.a.debeer@utwente.nl
+31 (0)53 489 3170


***General Introduction***
This dataset contains the simulation input files and data underlying the publication "Vapor sorption in binary polymer brushes:  theeffect of the polymer-polymer interface". This data was gathered as part of the MSc thesis work of Leon Smook in the context of the research programme "Mechanics of Moist Brushes" with project number OCENW.KLEIN.020.

This data has been made public to aid other researchers to re-evaluate this work and to use this data and methodology in their own work.

***Structure of data set***
This set contains two types of data:
1) (template) input and data files for the molecular dynamics simulations [<directory_name>.rar];
2) and data underlying the figures in the publication [Figure<num>.txt].

Ad. 1) This directory (and subdirectories therein) contain two types of files. A LAMMPS input template file (.in) and an initial MD configuration (.data). These (template) files can be used with LAMMPS v.30 Jun 2020 to recreate and verify the published results. The different directories refer to the different experiments presented in the publication.

Ad. 2) For each graph in the publication, the graphed data is presented in a separate text file.

***Methodology***
The data in this set has been generated based on the input and configuration files present in this set. This data was generated using LAMMPS v.30 Jun 2020.