Scaling behaviour for the water transport in nanoconfined geometries.
The transport of water in nanoconfined geometries is different from bulk phase and has tremendous implications in nanotechnology and biotechnology. Here molecular dynamics is used to compute the self-diffusion coefficient D of water within nanopores, around nanoparticles, carbon nanotubes and proteins. For almost 60 different cases, D is found to scale linearly with the sole parameter θ as D(θ) = D(B)[1+(D(C)/D(B)-1)θ], with DB and DC the bulk and totally confined diffusion of water, respectively. The parameter θ is primarily influenced by geometry and represents the ratio between the confined and total water volumes. The D(θ) relationship is interpreted within the thermodynamics of supercooled water. As an example, such relationship is shown to accurately predict the relaxometric response of contrast agents for magnetic resonance imaging. The D(θ) relationship can help in interpreting the transport of water molecules under nanoconfined conditions and tailoring nanostructures with precise modulation of water mobility.
1] Department of Energy, Politecnico di Torino, Corso Duca degli Abruzzi 24, Torino 10129, Italy [2].
Eliodoro
E
Chiavazzo
1] Department of Energy, Politecnico di Torino, Corso Duca degli Abruzzi 24, Torino 10129, Italy [2] Department of Translational Imaging, The Methodist Hospital Research Institute, 6670 Bertner Ave, Houston, Texas 77030, USA [3] Department of Nanomedicine, The Methodist Hospital Research Institute, 6670 Bertner Ave, Houston, Texas 77030, USA [4] Nanofabrication Department, Italian Institute of Technology, Via Morego 30, Genova 16163, Italy [5].
Matteo
M
Fasano
Department of Energy, Politecnico di Torino, Corso Duca degli Abruzzi 24, Torino 10129, Italy.
Pietro
P
Asinari
1] Department of Translational Imaging, The Methodist Hospital Research Institute, 6670 Bertner Ave, Houston, Texas 77030, USA [2] Department of Nanomedicine, The Methodist Hospital Research Institute, 6670 Bertner Ave, Houston, Texas 77030, USA [3] Nanofabrication Department, Italian Institute of Technology, Via Morego 30, Genova 16163, Italy.
Paolo
P
Decuzzi
D001692:Biological Transport; D004058:Diffusion; D049329:Nanostructures / Q000737:chemistry*; D036103:Nanotechnology; D011506:Proteins / Q000737:chemistry; D012822:Silicon Dioxide / Q000737:chemistry; D013816:Thermodynamics; D014867:Water / Q000737:chemistry*
D011506:Proteins; D014867:Water; D012822:Silicon Dioxide