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Hardy A, Bock H. Assessing the Quality of Solvents and Dispersants for Low-Dimensional Materials Using the Corresponding Distances Method. J Phys Chem B. 2016;120(44):11607-11617doi: 10.1021/acs.jpcb.6b09172.
Hardy, A., & Bock, H. (2016). Assessing the Quality of Solvents and Dispersants for Low-Dimensional Materials Using the Corresponding Distances Method. The journal of physical chemistry. B, 120(44), 11607-11617. https://doi.org/10.1021/acs.jpcb.6b09172
Hardy, A, and Bock, H. "Assessing the Quality of Solvents and Dispersants for Low-Dimensional Materials Using the Corresponding Distances Method." The journal of physical chemistry. B vol. 120,44 (2016): 11607-11617. doi: https://doi.org/10.1021/acs.jpcb.6b09172
Hardy A, Bock H. Assessing the Quality of Solvents and Dispersants for Low-Dimensional Materials Using the Corresponding Distances Method. J Phys Chem B. 2016 Nov 10;120(44):11607-11617. doi: 10.1021/acs.jpcb.6b09172. Epub 2016 Nov 02. PMID: 27731996.
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J Phys Chem B. 2016 Nov 10;120(44):11607-11617. doi: 10.1021/acs.jpcb.6b09172. Epub 2016 Nov 02.

Assessing the Quality of Solvents and Dispersants for Low-Dimensional Materials Using the Corresponding Distances Method.

The journal of physical chemistry. B

A Hardy, H Bock

Affiliations

  1. Institute of Chemical Sciences, Heriot Watt University , Edinburgh EH14 4AS, U.K.

PMID: 27731996 DOI: 10.1021/acs.jpcb.6b09172

Abstract

We demonstrate that the corresponding distances method is an accurate, highly efficient, and simple method to assess the quality of solvents and dispersants for low-dimensional nanomaterials. It provides potential of mean force curves at very high resolution from a single simulation using atomistic models with common simulation software. Applying the corresponding distances method to a pair of (10,10) single-wall carbon nanotubes immersed in bromotrichloromethane, we find that bromotrichloromethane is not a solvent for carbon nanotubes. This assessment is in agreement with experimental results but contradicts predictions from Hansen solubility parameters. We argue that the reason for the false-positive prediction of solubility theory is that it does not capture the structural details of the adsorbed solvent layer, which governs the solvent-mediated forces between the tubes.

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