Biophys Chem 2006 Dec 3;124(3):243-50. Epub 2006 May 3.
Chemistry Department, Wabash College, P.O. Box 352, Crawfordsville, IN 47933, USA.
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Phys Rev Lett 2004 Oct 14;93(16):168104. Epub 2004 Oct 14.
Facultad de Ciencias, Universidad Autónoma del Estado de Morelos, Avenida Universidad 1001, 62210 Cuernavaca, Morelos, México.
Using a simple model it is shown that the cost of constraining a hydrated potassium ion inside a narrow nanopore is smaller than the cost of constraining the smaller hydrated sodium ion. The former allows for a greater distortion of its hydration shell and can therefore maintain a better coordination. We propose that in this way the larger ion can go through narrow pores more easily. Read More
Phys Chem Chem Phys 2008 Apr 25;10(14):1896-906. Epub 2008 Feb 25.
State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing University of Technology, Nanjing 210009, China.
Molecular dynamics simulations have been performed to investigate the hydration of Li(+), Na(+), K(+), F(-), and Cl(-) inside the carbon nanotubes at temperatures ranging from 298 to 683 K. The structural characteristics of the coordination shells of ions are studied, including the ion-oxygen radial distribution functions, the coordination numbers, and the orientation distributions of the water molecules. Simulation results show that the first coordination shells of the five ions still exist in the nanoscale confinement. Read More
J Colloid Interface Sci 2004 Nov;279(1):1-22
Laboratory of Materials Chemistry, Graduate School of Engineering, Hokkaido University, Sapporo 060-8628, Japan.
Ion-exchange reactions are naturally occurring at soil and sediment/water interphases, determining soil fertility and water quality. These ion-exchange reactions with inorganic and organic exchangers are applied to chemical analysis, recovery of useful ions from low-grade ores (potentially from sea water), water purification including the preparation of "ultrapure" water, production of foods and medicines, therapy, and other uses. It is important to theorize about or to model ion-exchange reactions for quantitative explanations of ion-exchange phenomena and for efficient operation of ion-exchange processes. Read More
Nano Lett 2009 Mar;9(3):989-94
State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing University of Technology, Nanjing 210009, People's Republic of China.
We performed molecular dynamics simulations of the hydration of Na+ and K+ in infinitely long single-walled armchair carbon nanotubes (CNTs) at 298 K. Simulation results indicate that the preferential orientation of water molecules in coordination shells of these two cations presents an anomalous change in the CNTs and causes a diameter-dependent variation for the interaction energy between the cation and water molecules in its coordination shell. In the five CNTs of this work, it is energetically favorable for confining a hydrated K+ inside the two narrow CNTs with diameters of 0. Read More