Molecular intermittent dynamics of interfacial water: probing adsorption and bulk confinement

作者: P. Levitz , P. A. Bonnaud , P.-A. Cazade , R. J.-M. Pellenq , B. Coasne

DOI: 10.1039/C3SM51940F

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摘要: Numerous natural and manufactured systems such as colloidal suspensions, geological pore networks, catalysts, nanofluidic devices develop a large sometimes complex interface strongly influencing the dynamics of fluid entrapped inside these materials. A coarse grain picture this molecular can be considered an intermittence adsorption steps bulk relocations from one point to another interface. Adsorption statistics time distribution its first moment reflect degree interaction molecule with Relocation depend on shape pore, surface forces confinement. In paper, theoretical analysis intermittent is presented. direct comparison simulations proposed in case liquid water confined hydrophilic substrate (silica slit hydroxylated surfaces) or hydrophobic (carbon nanotube). Analysis allows quantification level vicinal solid independent region exchange fluid. The possibility experimentally probing using NMR relaxometry emphasized.

参考文章(87)
Ian C. Bourg, Carl I. Steefel, Molecular dynamics simulations of water structure and diffusion in silica nanopores The Journal of Physical Chemistry. ,vol. 116, pp. 11556- 11564 ,(2012) , 10.1021/JP301299A
Nikolai V. Churaev, Max Josef Setzer, Jürgen Adolphs, Influence of Surface Wettability on Adsorption Isotherms of Water Vapor Journal of Colloid and Interface Science. ,vol. 197, pp. 327- 333 ,(1998) , 10.1006/JCIS.1997.5292
Haruka Kyakuno, Kazuyuki Matsuda, Hitomi Yahiro, Yu Inami, Tomoko Fukuoka, Yasumitsu Miyata, Kazuhiro Yanagi, Yutaka Maniwa, Hiromichi Kataura, Takeshi Saito, Motoo Yumura, Sumio Iijima, Confined water inside single-walled carbon nanotubes: Global phase diagram and effect of finite length Journal of Chemical Physics. ,vol. 134, pp. 244501- 244501 ,(2011) , 10.1063/1.3593064
P. Levitz, M. Zinsmeister, P. Davidson, D. Constantin, O. Poncelet, Intermittent Brownian dynamics over a rigid strand: heavily tailed relocation statistics in a simple geometry. Physical Review E. ,vol. 78, pp. 030102- ,(2008) , 10.1103/PHYSREVE.78.030102
Antonio Checco, Liquid Spreading under Nanoscale Confinement. Physical Review Letters. ,vol. 102, pp. 106103- ,(2009) , 10.1103/PHYSREVLETT.102.106103
A. Verdaguer, G. M. Sacha, H. Bluhm, M. Salmeron, Molecular structure of water at interfaces: wetting at the nanometer scale. Chemical Reviews. ,vol. 106, pp. 1478- 1510 ,(2006) , 10.1021/CR040376L
J.R. Errington, K. Kiyohara, K.E. Gubbins, A.Z. Panagiotopoulos, Monte Carlo simulation of high-pressure phase equilibria in aqueous systems Fluid Phase Equilibria. ,vol. 150-151, pp. 33- 40 ,(1998) , 10.1016/S0378-3812(98)00273-8
Toshiyuki Takamuku, Motoyuki Yamagami, Hisanobu Wakita, Yuichi Masuda, Toshio Yamaguchi, Thermal Property, Structure, and Dynamics of Supercooled Water in Porous Silica by Calorimetry, Neutron Scattering, and NMR Relaxation Journal of Physical Chemistry B. ,vol. 101, pp. 5730- 5739 ,(1997) , 10.1021/JP9631238
Yang Zhang, Antonio Faraone, William A Kamitakahara, Kao-Hsiang Liu, Chung-Yuan Mou, Juscelino B Leao, Sung Chang, Sow-Hsin Chen, None, Density hysteresis of heavy water confined in a nanoporous silica matrix Proceedings of the National Academy of Sciences of the United States of America. ,vol. 108, pp. 12206- 12211 ,(2011) , 10.1073/PNAS.1100238108