Adsorption of methanol on ice

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Dataset

Data creators : Sylvain Picaud ^[1] ^[2], Paul Nguyen Minh Hoang ^[1] ^[2], Lívia Pártay ^[3], Pál Jedlovszky ^[3]

[1] : Institut UTINAM (Université Marie et Louis Pasteur)

[2] : Observatoire des Sciences de l'Univers - Terre, Homme, Environnement, Temps, Astronomie (Université Marie et Louis Pasteur)

[3] : Eötvös Lorand University

Description :

Data of the Adsorption Isotherm of Methanol on Crystalline (Ih) Ice at 200 K, as Obtained from Grand Canonical Monte Carlo Simulations.

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Access details :

All the data are available at this adress if you have an access to the whole paper: http://dx.doi.org/doi:10.1021/ja065553

General metadata

Data acquisition date : 2006

Data acquisition methods :

Simulation or computational data :
Data have been obtained by using Grand Canonical Monte Carlo (GCMC) simulations at 200 K.
Indeed, this method allows the simulation of adsorption experiments by keeping the temperature constant and controlling the chemical potential of the adsorbed molecules (or the pressure of the corresponding gas). By varying the chemical potential, GCMC allows the calculation of the adsorption isotherm and its comparison with experimental data. Technical details are given in the paragraph 2.2 of the corresponding publication.

Update periodicity : no update

Language : English (eng)

Formats : application/pdf

Audience : Research

Publications :

Determination of the Adsorption Isotherm of Methanol on the Surface of Ice. An Experimental and Grand Canonical Monte Carlo Simulation Study (doi:10.1021/ja065553)

Publisher : American Chemical Society