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. 2011 Jun 27;108(29):11794-11798. doi: 10.1073/pnas.1108073108

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Fig. 1. — Relative thermodynamics of water confined in infinite CNTs. The CNTs are labeled (x, y) according to their chirality as shown in Fig. S1. In this study, x = y indicates armchair nanotubes. (A) Relative Helmholtz free energy as a function of CNT diameter, referenced to a bulk water box of 14,000 molecules: , , . The error bars indicate the statistical errors. The vertical dashed line indicates the point of convergence to the bulk. (B) Percentage of the free energy ΔA⁰ arising from the enthalpy or entropy .

Inline graphic — Relative thermodynamics of water confined in infinite CNTs. The CNTs are labeled (x, y) according to their chirality as shown in Fig. S1. In this study, x = y indicates armchair nanotubes. (A) Relative Helmholtz free energy as a function of CNT diameter, referenced to a bulk water box of 14,000 molecules: , , . The error bars indicate the statistical errors. The vertical dashed line indicates the point of convergence to the bulk. (B) Percentage of the free energy ΔA⁰ arising from the enthalpy or entropy .