2023_Vuorte_SoftMatter

Beskrivning

This data set contains the supplementary files (simulation input and output files) and data associated with the following publication: Vuorte, M. & Sammalkorpi, M. (2023). From microemulsion phase diagrams to hydrophilicity and hydration controlled adsorption: A dissipative particle dynamics modelling study of phospholipid assembly in bio oils. Soft Matter, DOI: https://doi.org/10.1039/D3SM00508A. 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.) and Novo Nordisk Foundation under project no. NNF22OC0074060 (M.S.). We are grateful for the support by FinnCERES Materials Bioeconomy Ecosystem. Computational resources by CSC IT Centre for Finland, RAMI -- RawMatters Finland Infrastructure, and Aalto Science-IT project are also gratefully acknowledged.
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Publiceringsår

2022

Typ av data

Upphovspersoner

Department of Chemistry and Materials Science

Maisa Vuorte Orcid -palvelun logo - Rättighetsinnehavare, Upphovsperson, Utgivare

Maria Sammalkorpi Orcid -palvelun logo - Rättighetsinnehavare, Upphovsperson, Medarbetare

Projekt

Övriga uppgifter

Vetenskapsområden

Kemi

Språk

engelska

Öppen tillgång

Öppet

Licens

Creative Commons Attribution 4.0 International (CC BY 4.0)

Nyckelord

modelling, computational chemistry, simulation, adsorption, aggregation, colloids in oil, reverse micelle, self-assembly, dissipative particle dynamics, DPD, emulsion, phospholipid

Ämnesord

beräkningskemi, kolloidkemi, self-assembly (kemi), adsorption

Temporal täckning

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