This software is a MATLAB script CCR_SupplementaryMaterials.m which executes a simulation designed to reproduce the ideas presented in McDonald et al, Cement and Concrete Research, 133, (2020) 106045, https://doi.org/10.1016/j.cemconres.2020.106045. Simulations produced using this and earlier versions of the script were presented at the conferences: • Gordon Research Conference: Cutting-Edge Developments and Characterization of Cement-Based Materials, California, USA, January 2020. • 40th Cement and Concrete Science Conference, Sheffield, September 2020 (on-line event) • ERICA-CASH II Final dissemination conference. Heidelberg, January 2021 (on-line event). and have been submitted for publication elsewhere. Further information about the script is contained in the script header and the .txt file. Sample MATLAB output data is to be found in the directory DirectoryName. The software was developed as part of the work carried out at the University of Surrey, UK, under the EC H2020-MSCA-ITN project ‘ERICA: Engineered Calcium-Silicate-Hydrates for Applications’, Grant Agreement No. 764691 (November 2017 – February 2022). Two key areas for the focus of the modelling of cement hydrates in ERICA are: • Development of improved microstructural models most notably to include dynamic microstructure within the so-called microIC platform, and • Lattice Boltzmann / Monte-Carlo modelling of water sorption and transport in model microstructures with a view to improved differentiation between competing models. This submission focusses on the Lattice Boltzmann. In the present software, a Shan-Chen two-phase (liquid / vapour) Lattice Boltzmann computational code coupled to an Etzold-type numerical model of a Feldman-Sereda-like model cement microstructure with, importantly, dynamic structural chains was written in MATLAB. The script runs under MATLAB 2019b (The MathWorks, Inc.).

{"references": ["Peter J. McDonald, Ors Istok, Magdalena Janota, Agata M. Gajewicz-Jaromin, David A. Faux, Sorption, anomalous water transport and dynamic porosity in cement paste: A spatially localised 1H NMR relaxation study and a proposed mechanism, Cement and Concrete Research, Volume 133, 2020, 106045, ISSN 0008-8846, https://doi.org/10.1016/j.cemconres.2020.106045"]}