This data set contains the supplementary files and data associated with the following publication: Vuorte, M., Lokka, A., Scacchi, A. & Sammalkorpi, M. (2023). Dioctyl sodium sulfosuccinate surfactant self-assembly dependency on solvent hydrophilicity: a modelling study. Physical Chemistry Chemical Physics (2023), DOI: https://doi.org/10.1039/D3CP02173D. Please cite the above publication when using this data set! This work was supported by the Academy of Finland through its Centres of Excellence Programme (2022-2029, LIBER) under project no. 346111 (M.S.), Novo Nordisk Foundation under project no. NNF22OC0074060 (M.S.) and the Project HPC-EUROPA3 (HPC17B57YI) (A.S.), with the support of the EC Research Innovation Action under the H2020 Programme. M.S. thanks Prof. Jaakko Timonen for asking the questions that motivated examining AOT aggregation response via modelling approaches and the ensuing discussions. A.S. gratefully acknowledges Prof. Uwe Thiele for scientific discussions and hosting of his research visit at the Institute of Theoretical Physics, WWU Münster, as well as the computer resources and technical support provided by HLSR Stuttgart. Computational resources by CSC IT Centre for Finland, RAMI – RawMatters Finland Infrastructure, and Aalto Science-IT project are also gratefully acknowledged. We are grateful for the support by FinnCERES Materials Bioeconomy Ecosystem.

2023