Journal
CHEMICAL PHYSICS LETTERS
Volume 507, Issue 1-3, Pages 134-137Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2011.03.066
Keywords
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Funding
- National Research University Project of CHE
- Ratchadaphiseksomphot Endowment Fund [HR1155A]
- Thai Government Stimulus [TKK2555]
- Chulalongkorn University
- TRF Grant for New Research [TRG5280035]
- Thailand Graduate Institute of Science and Technology (TGIST) [TG-55-09-50-059D]
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In order to explain the solubility of carbon nanotubes (CNT), including single walled CNTs, wrapped with chitosan of a 60% degree of deacetylation, MD simulations were applied to represent three chitosan concentrations, using two pristine CNTs (pCNT-pCNT), and one and two CNTs wrapped (pCNT-cwCNT and cwCNT-cwCNT). The CNT aggregation was observed in pCNT-pCNT and pCNT-cwCNT due to van der Waals interactions between tube-tube aromatic rings, and inter-CNT bridging by chitosan, respectively. At higher chitosan concentrations, such that most to all of CNTs were wrapped with chitosan, charge-charge repulsion was found to separate robustly the cwCNTs and lead to a well dispersed solution. (C) 2011 Elsevier B.V. All rights reserved.
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