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Publication details

Title
INTERACTIONS AND INTERFACIAL ORDERING OF IONIC LIQUIDS WITH CARBON NANOMATERIALS

Authors
João França
Agílio A. H. Pádua
Carlos Nieto de Castro
Dep. Química e Bioquímica
CQE-Ciências - Centro de Química Estrutural-Ciências

Document type
Conference papers

Scope
International

Refereeing
Yes

Additional information
Poster

Document type
Abstract

Summary
Suspensions of nano-sized objects in ionic liquids have raised an enormous interest in various areas of application, for example new solvents for chemical modification of nanomaterials and use of nanofluids in electronic and electrochemical devices, benefiting from their interfacial and bulk properties. However, the enormous variety of possible ionic fluids and their complexity pose challenges to the establishment of simple structure-property relations that can guide the choice of the best materials. A fundamental understanding at the level of molecular interactions (Figure 1), structure and dynamics is essential. \\\\nIn this communication we report a study of the interactions between carbon nanomaterials, such as graphene and carbon nanotubes, and room temperature ionic liquids primarily based on the imidazolium cation and cyano-based anions [1]. A molecular interaction model between these two types of material was developed based on quantum calculations (DFT) suitable for non-covalent interaction and a classical site-site potential function was fitted to these results. Polarization of the carbon surface by the ions of the liquid is also included. Then this model is used in molecular dynamics simulations of carbon nanotubes in ionic liquids. Structural quantities are obtained in two situations: in the interfacial layer of ionic liquid surrounding/at the surface of the nanomaterial and in the ionic liquid confined inside the

Editor(s)
Katherina Schroder

Date of Publication
2016-07-03

Institution
FACULDADE DE CIÊNCIAS DA UNIVERSIDADE DE LISBOA

Event
26th EUCHEM on Molten Salts and Ionic Liquids, 3-8, 2016

ISBN
9783950401745

Address
Vienna, Austria

Organizers
Institute of Applied Synthetic Chemistry, TU-Wien

Publisher
TU-Wien

Collection
Abstract Book

Edition
2018
Volume
1

Number of pages
337
Starting page
238
Last page
238

Identifiers
URL - http://euchem2016.book-of-abstracts.com/programme/confirmed-poster-presentations/

Keywords
Ionanofluids Carbon nanomaterials Interfacial Ordering Ionic Liquids


Export

APA
João França, Agílio A. H. Pádua, Carlos Nieto de Castro, (2016). INTERACTIONS AND INTERFACIAL ORDERING OF IONIC LIQUIDS WITH CARBON NANOMATERIALS. 26th EUCHEM on Molten Salts and Ionic Liquids, 3-8, 2016, 238-238

IEEE
João França, Agílio A. H. Pádua, Carlos Nieto de Castro, "INTERACTIONS AND INTERFACIAL ORDERING OF IONIC LIQUIDS WITH CARBON NANOMATERIALS" in 26th EUCHEM on Molten Salts and Ionic Liquids, 3-8, 2016, Vienna, Austria, 2016, pp. 238-238, doi:

BIBTEX
@InProceedings{41255, author = {João França and Agílio A. H. Pádua and Carlos Nieto de Castro}, title = {INTERACTIONS AND INTERFACIAL ORDERING OF IONIC LIQUIDS WITH CARBON NANOMATERIALS}, booktitle = {26th EUCHEM on Molten Salts and Ionic Liquids, 3-8, 2016}, year = 2016, pages = {238-238}, address = {Vienna, Austria}, publisher = {TU-Wien} }