Diffusion at interfaces - Revision history

Dduque: link redirected

2008-05-09T13:16:07Z

link redirected

← Older revision		Revision as of 15:16, 9 May 2008
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	[[Diffusion]] at the [[~~Gas-liquid_phase_transitions~~ \| liquid-vapour interface]] is both interesting		[[Diffusion]] at the [[interface \| liquid-vapour interface]] is both interesting
	and controversial. The very definition of particles "at" the interface is difficult. The diffusion		and controversial. The very definition of particles "at" the interface is difficult. The diffusion
	coefficient will in this case be a diagonal tensor; two of its elements are equal and correspond		coefficient will in this case be a diagonal tensor; two of its elements are equal and correspond

Carl McBride: /* References */ Updated link.

2008-04-07T10:11:32Z

References: Updated link.

← Older revision		Revision as of 12:11, 7 April 2008
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	#[http://dx.doi.org/10.1063/1.2424934 J. A. Thomas and A. J. H. McGaughey "Effect of surface wettability on liquid density, structure, and diffusion near a solid surface", Journal of Chemical Physics '''126''' 034707 (2007)]		#[http://dx.doi.org/10.1063/1.2424934 J. A. Thomas and A. J. H. McGaughey "Effect of surface wettability on liquid density, structure, and diffusion near a solid surface", Journal of Chemical Physics '''126''' 034707 (2007)]
	#[http://dx.doi.org/10.1063/1.2779876 Javier Rodriguez and Daniel Laria "Computer simulations of catanionic surfactants adsorbed at air/water interfaces. II. Full coverage", Journal of Chemical Physics '''127''' 124704 (2007)]		#[http://dx.doi.org/10.1063/1.2779876 Javier Rodriguez and Daniel Laria "Computer simulations of catanionic surfactants adsorbed at air/water interfaces. II. Full coverage", Journal of Chemical Physics '''127''' 124704 (2007)]
			#[http://dx.doi.org/10.1063/1.2841128 Daniel Duque, Pedro Tarazona, and Enrique Chacón "Diffusion at the liquid-vapor interface", Journal of Chemical Physics '''128''' 134704 (2008)]
	[[Category: Non-equilibrium thermodynamics]]		[[Category: Non-equilibrium thermodynamics]]
	~~#[http://arxiv.org/abs/0712.1683 D. Duque, P. Tarazona, and E. Chacón "Diffusion at the liquid-vapor interface", arXiv preprint, to be published]~~

Dduque: added link to arXiv

2007-12-11T11:14:06Z

added link to arXiv

← Older revision		Revision as of 13:14, 11 December 2007
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	#[http://dx.doi.org/10.1063/1.2779876 Javier Rodriguez and Daniel Laria "Computer simulations of catanionic surfactants adsorbed at air/water interfaces. II. Full coverage", Journal of Chemical Physics '''127''' 124704 (2007)]		#[http://dx.doi.org/10.1063/1.2779876 Javier Rodriguez and Daniel Laria "Computer simulations of catanionic surfactants adsorbed at air/water interfaces. II. Full coverage", Journal of Chemical Physics '''127''' 124704 (2007)]
	[[Category: Non-equilibrium thermodynamics]]		[[Category: Non-equilibrium thermodynamics]]
	#D. Duque, P. Tarazona, and E. Chacón "Diffusion at the liquid-vapor interface", to be published		#[http://arxiv.org/abs/0712.1683 D. Duque, P. Tarazona, and E. Chacón "Diffusion at the liquid-vapor interface", arXiv preprint, to be published]

Carl McBride: Trivial tidy.

2007-12-04T16:22:25Z

Trivial tidy.

← Older revision		Revision as of 18:22, 4 December 2007
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	Its subtlety, combined by the application to perhaps the most interesting system, the		Its subtlety, combined by the application to perhaps the most interesting system, the
	liquid water surface, makes this reference quite important.		liquid water surface, makes this reference quite important.
	See also Ref [17] (~~still~~ unpublished) for a criticism of these techniques, and		See also Ref [17] (as yet unpublished) for a criticism of these techniques, and
	a consideration of the problem from the point of view of the [[capillary waves \| intrinsic surface]].		a consideration of the problem from the point of view of the [[capillary waves \| intrinsic surface]].


	== Systems ==		== Systems ==

	{\| border="1"		{\| border="1"
	\|-		\|-
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	\|-		\|-
	\|}		\|}

	[[Mixtures]]:		[[Mixtures]]:

	{\| border="1"		{\| border="1"
	\|-		\|-
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	\|-		\|-
	\|}		\|}


	[[Confined systems \|Confined fluids]]:		[[Confined systems \|Confined fluids]]:
	{\| border="1"		{\| border="1"
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	\| [[Lennard-Jones_model \| LJ]] on solid \|\| [15]		\| [[Lennard-Jones_model \| LJ]] on solid \|\| [15]
	\|-		\|-
	\| water diffusion across ~~chanels~~ \|\| [14]		\| water diffusion across channels \|\| [14]
	\|-		\|-
	\|}		\|}

	==References==		==References==
	#[http://dx.doi.org/10.1063/1.455259 M. Meyer, M. Mareschal, and M. Hayoun "Computer modeling of a liquid–liquid interface", Journal of Chemical Physics '''89''' pp. 1067-1073 (1988)]		#[http://dx.doi.org/10.1063/1.455259 M. Meyer, M. Mareschal, and M. Hayoun "Computer modeling of a liquid–liquid interface", Journal of Chemical Physics '''89''' pp. 1067-1073 (1988)]

Carl McBride: /* References */ Expanded journal names.

2007-12-04T14:15:08Z

References: Expanded journal names.

Carl McBride: Added internal link to Smoluchowski equation

2007-12-04T13:32:29Z

Added internal link to Smoluchowski equation

← Older revision		Revision as of 15:32, 4 December 2007
Line 1:		Line 1:
	[[Diffusion]] at the [[Gas-liquid_phase_transitions \| liquid-~~vapor~~ interface]] is both interesting		[[Diffusion]] at the [[Gas-liquid_phase_transitions \| liquid-vapour interface]] is both interesting
	and controversial. The very definition of particles "at" the interface is difficult. The diffusion		and controversial. The very definition of particles "at" the interface is difficult. The diffusion
	coefficient will in this case be a diagonal tensor; two of its elements are equal and correspond		coefficient will in this case be a diagonal tensor; two of its elements are equal and correspond
Line 8:		Line 8:

	Typically, ''slabs'' corresponding to the interfacial region are obtained, and		Typically, ''slabs'' corresponding to the interfacial region are obtained, and
	diffusion processes are considered for each of them ~~separatelly~~. The three Cartesian		diffusion processes are considered for each of them separately. The three Cartesian
	components may be mixed [1,8], or separated, as in most of the other ~~Refs~~ below. Sometimes		components may be mixed [1,8], or separated, as in most of the other references below. Sometimes
	diffusion is only tracked down for times shorter than the [[residence time]] [5,8].		diffusion is only tracked down for times shorter than the [[residence time]] [5,8].
	The work by Liu et al. [10] ~~employes~~ a refined treatment using [[Smoluchowski]] ~~equations~~.		The work by Liu et al. [10] employs a refined treatment using [[Smoluchowski equation]]s.
	Its subtlety, combined by the application to perhaps the most interesting system, the		Its subtlety, combined by the application to perhaps the most interesting system, the
	liquid water surface, makes this reference quite important.		liquid water surface, makes this reference quite important.

Dduque: forgot title

2007-12-04T13:31:35Z

forgot title

← Older revision		Revision as of 15:31, 4 December 2007
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	#[http://dx.doi.org/10.1063/1.2779876 Javier Rodriguez and Daniel Laria "Computer simulations of catanionic surfactants adsorbed at air/water interfaces. II. Full coverage"J. Chem. Phys. '''127''' 124704 (2007)]		#[http://dx.doi.org/10.1063/1.2779876 Javier Rodriguez and Daniel Laria "Computer simulations of catanionic surfactants adsorbed at air/water interfaces. II. Full coverage"J. Chem. Phys. '''127''' 124704 (2007)]
	[[Category: Non-equilibrium thermodynamics]]		[[Category: Non-equilibrium thermodynamics]]
	#D. Duque, P. Tarazona, and E. Chacón To be published		#D. Duque, P. Tarazona, and E. Chacón "Diffusion at the liquid-vapor interface", to be published

Dduque at 13:11, 4 December 2007

2007-12-04T13:11:59Z

← Older revision		Revision as of 15:11, 4 December 2007
Line 15:		Line 15:
	liquid water surface, makes this reference quite important.		liquid water surface, makes this reference quite important.
	See also Ref [17] (still unpublished) for a criticism of these techniques, and		See also Ref [17] (still unpublished) for a criticism of these techniques, and
	a consideration of the problem from the point of view of the [[intrinsic surface]].		a consideration of the problem from the point of view of the [[capillary waves \| intrinsic surface]].


Line 88:		Line 88:
	#[http://dx.doi.org/10.1063/1.2779876 Javier Rodriguez and Daniel Laria "Computer simulations of catanionic surfactants adsorbed at air/water interfaces. II. Full coverage"J. Chem. Phys. '''127''' 124704 (2007)]		#[http://dx.doi.org/10.1063/1.2779876 Javier Rodriguez and Daniel Laria "Computer simulations of catanionic surfactants adsorbed at air/water interfaces. II. Full coverage"J. Chem. Phys. '''127''' 124704 (2007)]
	[[Category: Non-equilibrium thermodynamics]]		[[Category: Non-equilibrium thermodynamics]]
	#[D. Duque, P. Tarazona, and E. Chacón To be published]		#D. Duque, P. Tarazona, and E. Chacón To be published

Dduque: more or less complete

2007-12-04T13:09:51Z

more or less complete

← Older revision		Revision as of 15:09, 4 December 2007
Line 7:		Line 7:
	[[residence time]].		[[residence time]].

	~~ypically~~, ''slabs'' corresponding to the interfacial region are obtained, and		Typically, ''slabs'' corresponding to the interfacial region are obtained, and
	diffusion processes are considered for each of them separatelly.		diffusion processes are considered for each of them separatelly. The three Cartesian
			components may be mixed [1,8], or separated, as in most of the other Refs below. Sometimes
			diffusion is only tracked down for times shorter than the [[residence time]] [5,8].
			The work by Liu et al. [10] employes a refined treatment using [[Smoluchowski]] equations.
			Its subtlety, combined by the application to perhaps the most interesting system, the
			liquid water surface, makes this reference quite important.
			See also Ref [17] (still unpublished) for a criticism of these techniques, and
			a consideration of the problem from the point of view of the [[intrinsic surface]].

	~~See, specially Liu et al. [10] for a refined treatment using [[Smoluchowski]] equations.~~

	== Systems ==		== Systems ==
Line 59:		Line 65:
	\|-		\|-
	\| [[Lennard-Jones_model \| LJ]] on solid \|\| [15]		\| [[Lennard-Jones_model \| LJ]] on solid \|\| [15]
	\|-
	~~\| system \|\| Ref~~
	\|-		\|-
	\| water diffusion across chanels \|\| [14]		\| water diffusion across chanels \|\| [14]
Line 84:		Line 88:
	#[http://dx.doi.org/10.1063/1.2779876 Javier Rodriguez and Daniel Laria "Computer simulations of catanionic surfactants adsorbed at air/water interfaces. II. Full coverage"J. Chem. Phys. '''127''' 124704 (2007)]		#[http://dx.doi.org/10.1063/1.2779876 Javier Rodriguez and Daniel Laria "Computer simulations of catanionic surfactants adsorbed at air/water interfaces. II. Full coverage"J. Chem. Phys. '''127''' 124704 (2007)]
	[[Category: Non-equilibrium thermodynamics]]		[[Category: Non-equilibrium thermodynamics]]
			#[D. Duque, P. Tarazona, and E. Chacón To be published]

Carl McBride: /* Systems */ Added internal link

2007-12-04T13:08:19Z

Systems: Added internal link

← Older revision		Revision as of 15:08, 4 December 2007
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	\|[[Ethanol]] \|\| [8]		\|[[Ethanol]] \|\| [8]
	\|-		\|-
	\|liquid metals \|\| [13]		\|[[Metallic liquids \|liquid metals]] \|\| [13]
	\|-		\|-
	\|}		\|}
Line 65:		Line 65:
	\|-		\|-
	\|}		\|}


	==References==		==References==

← Older revision		Revision as of 16:15, 4 December 2007
Line 71:		Line 71:

	==References==		==References==
	#[http://dx.doi.org/10.1063/1.455259 M. Meyer, M. Mareschal, and M. Hayoun "Computer modeling of a liquid–liquid interface" ~~J. Chem. Phys.~~ '''89''' pp. 1067-1073 (1988)]		#[http://dx.doi.org/10.1063/1.455259 M. Meyer, M. Mareschal, and M. Hayoun "Computer modeling of a liquid–liquid interface", Journal of Chemical Physics '''89''' pp. 1067-1073 (1988)]
	#[http://dx.doi.org/10.1063/1.2424934 R. Michael Townsend and Stuart A. Rice "Molecular dynamics studies of the liquid–vapor interface of water" ~~J. Chem. Phys.~~ '''94''' pp. 2207-2218 (1991)]		#[http://dx.doi.org/10.1063/1.2424934 R. Michael Townsend and Stuart A. Rice "Molecular dynamics studies of the liquid–vapor interface of water", Journal of Chemical Physics '''94''' pp. 2207-2218 (1991)]
	#[http://dx.doi.org/10.1063/1.1625643 Ilan Benjamin "Theoretical study of the water/1,2-dichloroethane interface: Structure, dynamics, and conformational equilibria at the liquid–liquid interface" ~~J. Chem. Phys.~~ '''97''' pp. 1432-1445 (1992) ]		#[http://dx.doi.org/10.1063/1.1625643 Ilan Benjamin "Theoretical study of the water/1,2-dichloroethane interface: Structure, dynamics, and conformational equilibria at the liquid–liquid interface", Journal of Chemical Physics '''97''' pp. 1432-1445 (1992) ]
	#[http://dx.doi.org/10.1063/1.466425 Song Hi Lee and Peter J. Rossky "A comparison of the structure and dynamics of liquid water at hydrophobic and hydrophilic surfaces—a molecular dynamics simulation study" ~~J. Chem. Phys.~~ '''100''' ~~pp.~~ pp. 3334-3345 (1994) ]		#[http://dx.doi.org/10.1063/1.466425 Song Hi Lee and Peter J. Rossky "A comparison of the structure and dynamics of liquid water at hydrophobic and hydrophilic surfaces—a molecular dynamics simulation study", Journal of Chemical Physics '''100''' pp. 3334-3345 (1994) ]
	#[http://pubs.acs.org/cgi-bin/abstract.cgi/jpchax/1996/100/i28/abs/jp960615b.html R. S. Taylor, L. X. Dang, and B. C. Garrett "Molecular Dynamics Simulations of the Liquid/Vapor Interface of SPC/E Water" ~~J. Phys. Chem.~~ 100, 11720 (1996)]		#[http://pubs.acs.org/cgi-bin/abstract.cgi/jpchax/1996/100/i28/abs/jp960615b.html R. S. Taylor, L. X. Dang, and B. C. Garrett "Molecular Dynamics Simulations of the Liquid/Vapor Interface of SPC/E Water", Journal of Physical Chemistry '''100''' 11720 (1996)]
	#[http://dx.doi.org/10.1016/S0022-0728(97)00653-0 Michael, D. Benjamin "Molecular dynamics simulation of the water/nitrobenzene interface", Journal of Electroanalytical Chemistry '''450''' p.335-345, (1998)]		#[http://dx.doi.org/10.1016/S0022-0728(97)00653-0 Michael, D. Benjamin "Molecular dynamics simulation of the water/nitrobenzene interface", Journal of Electroanalytical Chemistry '''450''' pp. 335-345, (1998)]
	#[http://dx.doi.org/10.1063/1.1489898 Sanjib Senapati "A molecular dynamics simulation study of the dimethyl sulfoxide liquid–vapor interface"~~J. Chem. Phys.~~ '''117''' pp. 1812-1816 (2002) ]		#[http://dx.doi.org/10.1063/1.1489898 Sanjib Senapati "A molecular dynamics simulation study of the dimethyl sulfoxide liquid–vapor interface", Journal of Chemical Physics '''117''' pp. 1812-1816 (2002) ]
	#[http://dx.doi.org/10.1063/1.1625643 Ramona S. Taylor and Roseanne L. Shields "Molecular-dynamics simulations of the ethanol liquid–vapor interface" ~~J. Chem. Phys.~~ '''119''' pp. 12569-12576 (2003)]		#[http://dx.doi.org/10.1063/1.1625643 Ramona S. Taylor and Roseanne L. Shields "Molecular-dynamics simulations of the ethanol liquid–vapor interface", Journal of Chemical Physics '''119''' pp. 12569-12576 (2003)]
	#[http://dx.doi.org/10.1021/jp0375057 Pu Liu, Edward Harder, and B. J. Berne "On the Calculation of Diffusion Coefficients in Confined Fluids and Interfaces with an Application to the Liquid-Vapor Interface of Water" ~~J. Phys. Chem.~~ B '''108''' pp 6595 - 6602 (2004)]		#[http://dx.doi.org/10.1021/jp0375057 Pu Liu, Edward Harder, and B. J. Berne "On the Calculation of Diffusion Coefficients in Confined Fluids and Interfaces with an Application to the Liquid-Vapor Interface of Water", Journal of Physical Chemistry B '''108''' pp. 6595-6602 (2004)]
	#[http://dx.doi.org/10.1016/j.fluid.2004.02.012 Jörn B. Buhn, Philippe A. Bopp, and Manfred J. Hampe "A molecular dynamics study of a liquid–liquid interface: structure and dynamics" Fluid Phase Equilibria '''224''' pp. 221-230 (2004)]		#[http://dx.doi.org/10.1016/j.fluid.2004.02.012 Jörn B. Buhn, Philippe A. Bopp, and Manfred J. Hampe "A molecular dynamics study of a liquid–liquid interface: structure and dynamics" Fluid Phase Equilibria '''224''' pp. 221-230 (2004)]
	#[http://dx.doi.org/10.1021/jp046807l Pu Liu, Edward Harder, and B. J. Berne "Hydrogen-Bond Dynamics in the Air-Water Interface" ~~J. Phys. Chem.~~ B, 109 ~~(7)~~ pp 2949 - 2955 (2005)]		#[http://dx.doi.org/10.1021/jp046807l Pu Liu, Edward Harder, and B. J. Berne "Hydrogen-Bond Dynamics in the Air-Water Interface", Journal of Physical Chemistry B '''109''' pp. 2949-2955 (2005)]
	#[http://dx.doi.org/10.1021/cr0403640 Tsun-Mei Chang and Liem X. Dang "Recent Advances in Molecular Simulations of Ion Solvation at Liquid Interfaces" ~~Chem. Rev.~~ '''106''' pp 1305 - 1322 (2006)]		#[http://dx.doi.org/10.1021/cr0403640 Tsun-Mei Chang and Liem X. Dang "Recent Advances in Molecular Simulations of Ion Solvation at Liquid Interfaces", Chemical Reviews '''106''' pp 1305-1322 (2006)]
	#[http://dx.doi.org/10.1088/0953-8984/18/48/030 Luis E González and David J González "''Ab initio study of the atomic motion in liquid metal surfaces: comparison with Lennard-Jones systems" ~~J. Phys.~~: ~~Condens.~~ Matter '''18''' pp. 11021-11030 (2006)]		#[http://dx.doi.org/10.1088/0953-8984/18/48/030 Luis E González and David J González "''Ab initio'' study of the atomic motion in liquid metal surfaces: comparison with Lennard-Jones systems", Journal of Physics: Condensed Matter '''18''' pp. 11021-11030 (2006)]
	#[http://dx.doi.org/10.1063/1.2761897 Vincent J. van Hijkoop, Anton J. Dammers, Kourosh Malek, and Marc-Olivier Coppens "Water diffusion through a membrane protein channel: A first passage time approach" ~~J. Chem. Phys.~~ '''127''' 085101 (2007)]		#[http://dx.doi.org/10.1063/1.2761897 Vincent J. van Hijkoop, Anton J. Dammers, Kourosh Malek, and Marc-Olivier Coppens "Water diffusion through a membrane protein channel: A first passage time approach", Journal of Chemical Physics '''127''' 085101 (2007)]
	#[http://dx.doi.org/10.1063/1.2424934 J. A. Thomas and A. J. H. McGaughey "Effect of surface wettability on liquid density, structure, and diffusion near a solid surface" ~~J. Chem. Phys.~~ '''126''' 034707 (2007)]		#[http://dx.doi.org/10.1063/1.2424934 J. A. Thomas and A. J. H. McGaughey "Effect of surface wettability on liquid density, structure, and diffusion near a solid surface", Journal of Chemical Physics '''126''' 034707 (2007)]
	#[http://dx.doi.org/10.1063/1.2779876 Javier Rodriguez and Daniel Laria "Computer simulations of catanionic surfactants adsorbed at air/water interfaces. II. Full coverage"~~J. Chem. Phys.~~ '''127''' 124704 (2007)]		#[http://dx.doi.org/10.1063/1.2779876 Javier Rodriguez and Daniel Laria "Computer simulations of catanionic surfactants adsorbed at air/water interfaces. II. Full coverage", Journal of Chemical Physics '''127''' 124704 (2007)]
	[[Category: Non-equilibrium thermodynamics]]		[[Category: Non-equilibrium thermodynamics]]
	#D. Duque, P. Tarazona, and E. Chacón "Diffusion at the liquid-vapor interface", to be published		#D. Duque, P. Tarazona, and E. Chacón "Diffusion at the liquid-vapor interface", to be published