Molecular interactions of ionic liquids with SiO2 surfaces determined from colloid probe atomic force microscopy Show others and affiliations
2022 (English) In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 24, no 21, p. 12808-12815Article in journal (Refereed) Published
Abstract [en]
Ionic liquids (ILs) interact strongly with many different types of solid surfaces in a wide range of applications, e.g. lubrication, energy storage and conversion, etc. However, due to the nearly immeasurable large number of potential ILs available, identifying the appropriate ILs for specific solid interfaces with desirable properties is a challenge. Theoretical studies are highly useful for effective development of design and applications of these complex molecular systems. However, obtaining reliable force field models and interaction parameters is highly demanding. In this work, we apply a new methodology by deriving the interaction parameters directly from the experimental data, determined by colloid probe atomic force microscopy (CP-AFM). The reliability of the derived interaction parameters is tested by performing molecular dynamics simulations to calculate translational self-diffusion coefficients and comparing them with those obtained from NMR diffusometry.
Place, publisher, year, edition, pages Royal Society of Chemistry, 2022. Vol. 24, no 21, p. 12808-12815
National Category
Energy Engineering
Research subject Chemistry of Interfaces; Energy Engineering
Identifiers URN: urn:nbn:se:ltu:diva-90746 DOI: 10.1039/d2cp00483f ISI: 000798229600001 PubMedID: 35593233 Scopus ID: 2-s2.0-85132368792 OAI: oai:DiVA.org:ltu-90746 DiVA, id: diva2:1660467
Funder Swedish Research Council, 2018-04133
Note Validerad;2022;Nivå 2;2022-06-03 (johcin);
Funder: Natural Science Foundation of Jiangsu Province (BK20191289); National Natural Science Foundation of China (21838004, 21978134) The financial support from theSwedish Research Council (Grant No. 2018-04133); Ministry of Research and Innovation of Romania (CNCS – UEFISCDI, PN-III-P4-ID-PCCF-2016-0050, within PNCDI III)
2022-05-242022-05-242022-07-04 Bibliographically approved