BASIC CONCEPTS AND AN OVERVIEW - Foundations of Nanotechnology: Pore Size in Carbon-Based Nano-Adsorbents - page 165

126. Mangun, L., et al., Surface chemistry, pore sizes and adsorption properties of activated
carbon fibers and precursors treated with ammonia, Carbon, 2001, 139(11), 1809-1820.
127. Irle, et al., Milestones in Molecular Dynamics Simulations of Single-Walled Carbon
Nanotube Formation: A Brief Critical Review, Nano Res, 2009, 2(8), 755-767.
128. Guo-zhuo, et al., Regulation of pore size distribution in coal-based activated carbon,
New Carbon Materials, 2009, 24(2), article ID: 1007-8827.
129. Zang, et al., A comparative study of Young's modulus of single-walled carbon nanotube
by CPMD, MD and first principle simulations, Computational Materials Science, 2009,
46(4), 621-625.
130. Frankland, et al., Molecular Simulation of the Influence of Chemical Cross-Links on
the Shear Strength of Carbon Nanotube-Polymer Interfaces, J. Phys. Chem. B., 2002,
106(2), 3046-3048.
131. Frankland, et al., Simulation for separation of hydrogen and carbon monoxide by ad-
sorption on single-walled carbon nanotubes, Fluid Phase Equilibria, 2002, 194-197(10),
297-307.
132. Han, et al., Molecular dynamics simulations of the elastic properties of polymer/carbon
nanotube composites, Computational Materials Science, 2007, 39(8), 315-323.
133. Okhovat, et al., Pore Size Distribution Analysis of Coal-Based Activated Carbons: Inves-
tigating the Effects of Activating Agent and Chemical Ratio, ISRN Chemical Engineer-
ing, 2012.
134. Lehtinen, et al., Effects of ion bombardment on a two-dimensional target: Atomistic
simulations of graphene irradiation, Physical Review B, 2010, 81.
135. Shigeo Maruyama, A Molecular Dynamics Simulation of Heat Conduction of a Finite
Length Single-Walled Carbon Nanotube, Microscale Thermophysical Engineering,
2003, 7, 41-50.
136. Williams, et al., Monte Carlo simulations of H 2 physisorption in finite-diameter carbon
nanotube ropes, Chemical Physics Letters, 2000, 320(6), 352-358.
137. Diao, et al., Molecular dynamics simulations of carbon nanotube/silicon interfacial ther-
mal conductance, The Journal Of Chemical Physics, 2008, 128.
138. Noel, et al., On the Use of Symmetry in the Ab Initio Quantum Mechanical Simulation of
Nanotubes and Related Materials, J Comput Chem, 2010, 31, 855-862.
139. Nicholls, D. et al., Water Transport Through (7,7) Carbon Nanotubes of Different Lengths
using Molecular Dynamics, Microfluidics and Nanofluidics, 2012, 1-4, 257-264.
140. Ribas, A. et al., Nanotube nucleation versus carbon-catalyst adhesion-Probed by mo-
lecular dynamics simulations, J. Chem. Phys, 2009, 131.
141. Sanz-Navarro, F., et al., Molecular Dynamics Simulations of Metal Clusters Supported
on Fishbone Carbon Nanofibers, J. Phys. Chem. C, 2010, 114, 3522-3530.
142. Shibuta, et al., Bond-order potential for transition metal carbide cluster for the growth
simulation of a single-walled carbon nanotube Department of Materials Engineering,
The University of Tokyo, 2003.
143. Mao, et al., Molecular dynamics simulations of the filling and decorating of carbon
nanotubules, Nanotechnology, 1999, 10, 273-277.
144. Mao, et al., Molecular Simulation Study of CH 4 /H 2 Mixture Separations Using Metal
Organic Framework Membranes and Composites, J. Phys. Chem. C, 2010, 114, 13047-
13054.
145. Thomas, A., et al., Pressure-driven Water Flow through Carbon Nanotubes: Insights from
Molecular Dynamics Simulation, Carnegie Mellon University, USA, Department of Me-
chanical Engineering, 2009.