The Experts below are selected from a list of 72 Experts worldwide ranked by ideXlab platform
D Nicholson - One of the best experts on this subject based on the ideXlab platform.
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effects of temperature on methanol adsorption on functionalized graphite saturation of functional groups
Chemical Engineering Science, 2018Co-Authors: Waralee Dilokekunakul, Nikom Klomkliang, Somsak Supasitmongkol, Somboon Chaemchuen, D D Do, D NicholsonAbstract:Abstract Grand Canonical Monte Carlo simulation of methanol adsorption on a graphite model with two hydroxyl groups grafted on the surface has been carried out to investigate the effects of temperature in the range of 278–360 K. The spacing between the OH groups was chosen so that two hydrogen bonds could be formed with the first methanol molecule. In the Henry Law region, the isosteric heat at zero loading is greater than the condensation heat. When the loading is increased, the isosteric heat at low temperatures decreases slightly and exhibits a shoulder, which is associated with the formation of a cluster of methanol molecules around one OH group. On further increase in loading, the adsorbate–adsorbate interactions decrease because methanol begins to adsorb on the other OH group, resulting in a sharp decrease in the isosteric heat to a minimum, at which point both OH groups are covered with methanol molecules. At higher temperatures the isosteric heat at zero loading decreases but remains higher than the condensation heat. The shoulder heat is progressively diminished with temperature because methanol molecules are distributed over the two OH groups, due to the entropic effects. Interestingly, the minimum heat still occurs when the functional groups are covered and is even more pronounced at high temperatures.
Anatoly M Dolgonosov - One of the best experts on this subject based on the ideXlab platform.
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calculation of adsorption energy and Henry Law constant for nonpolar molecules on a nonpolar uniform adsorbent
Journal of Physical Chemistry B, 1998Co-Authors: Anatoly M DolgonosovAbstract:A method for a priori calculation of the energy of interaction between an adsorbed molecule and an adsorbent accounting for the adsorbed molecule shape is developed. This method is incorporated in our model of adsorption on a uniform adsorbent (Dolgonosov, A. M. Doklady 1994, 338, 760). Relations between adsorption parameters, the nonpolar molecule structure, and three characteristics of the uniform nonpolar adsorbent are established. They allow us to easily calculate the adsorption energy and the Henry Law constant for a wide range of temperatures with good accuracy. The calculation of the adsorption characteristics of hydrocarbons and other compounds on graphite is carried out.
Waralee Dilokekunakul - One of the best experts on this subject based on the ideXlab platform.
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effects of temperature on methanol adsorption on functionalized graphite saturation of functional groups
Chemical Engineering Science, 2018Co-Authors: Waralee Dilokekunakul, Nikom Klomkliang, Somsak Supasitmongkol, Somboon Chaemchuen, D D Do, D NicholsonAbstract:Abstract Grand Canonical Monte Carlo simulation of methanol adsorption on a graphite model with two hydroxyl groups grafted on the surface has been carried out to investigate the effects of temperature in the range of 278–360 K. The spacing between the OH groups was chosen so that two hydrogen bonds could be formed with the first methanol molecule. In the Henry Law region, the isosteric heat at zero loading is greater than the condensation heat. When the loading is increased, the isosteric heat at low temperatures decreases slightly and exhibits a shoulder, which is associated with the formation of a cluster of methanol molecules around one OH group. On further increase in loading, the adsorbate–adsorbate interactions decrease because methanol begins to adsorb on the other OH group, resulting in a sharp decrease in the isosteric heat to a minimum, at which point both OH groups are covered with methanol molecules. At higher temperatures the isosteric heat at zero loading decreases but remains higher than the condensation heat. The shoulder heat is progressively diminished with temperature because methanol molecules are distributed over the two OH groups, due to the entropic effects. Interestingly, the minimum heat still occurs when the functional groups are covered and is even more pronounced at high temperatures.
Somsak Supasitmongkol - One of the best experts on this subject based on the ideXlab platform.
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effects of temperature on methanol adsorption on functionalized graphite saturation of functional groups
Chemical Engineering Science, 2018Co-Authors: Waralee Dilokekunakul, Nikom Klomkliang, Somsak Supasitmongkol, Somboon Chaemchuen, D D Do, D NicholsonAbstract:Abstract Grand Canonical Monte Carlo simulation of methanol adsorption on a graphite model with two hydroxyl groups grafted on the surface has been carried out to investigate the effects of temperature in the range of 278–360 K. The spacing between the OH groups was chosen so that two hydrogen bonds could be formed with the first methanol molecule. In the Henry Law region, the isosteric heat at zero loading is greater than the condensation heat. When the loading is increased, the isosteric heat at low temperatures decreases slightly and exhibits a shoulder, which is associated with the formation of a cluster of methanol molecules around one OH group. On further increase in loading, the adsorbate–adsorbate interactions decrease because methanol begins to adsorb on the other OH group, resulting in a sharp decrease in the isosteric heat to a minimum, at which point both OH groups are covered with methanol molecules. At higher temperatures the isosteric heat at zero loading decreases but remains higher than the condensation heat. The shoulder heat is progressively diminished with temperature because methanol molecules are distributed over the two OH groups, due to the entropic effects. Interestingly, the minimum heat still occurs when the functional groups are covered and is even more pronounced at high temperatures.
Nikom Klomkliang - One of the best experts on this subject based on the ideXlab platform.
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effects of temperature on methanol adsorption on functionalized graphite saturation of functional groups
Chemical Engineering Science, 2018Co-Authors: Waralee Dilokekunakul, Nikom Klomkliang, Somsak Supasitmongkol, Somboon Chaemchuen, D D Do, D NicholsonAbstract:Abstract Grand Canonical Monte Carlo simulation of methanol adsorption on a graphite model with two hydroxyl groups grafted on the surface has been carried out to investigate the effects of temperature in the range of 278–360 K. The spacing between the OH groups was chosen so that two hydrogen bonds could be formed with the first methanol molecule. In the Henry Law region, the isosteric heat at zero loading is greater than the condensation heat. When the loading is increased, the isosteric heat at low temperatures decreases slightly and exhibits a shoulder, which is associated with the formation of a cluster of methanol molecules around one OH group. On further increase in loading, the adsorbate–adsorbate interactions decrease because methanol begins to adsorb on the other OH group, resulting in a sharp decrease in the isosteric heat to a minimum, at which point both OH groups are covered with methanol molecules. At higher temperatures the isosteric heat at zero loading decreases but remains higher than the condensation heat. The shoulder heat is progressively diminished with temperature because methanol molecules are distributed over the two OH groups, due to the entropic effects. Interestingly, the minimum heat still occurs when the functional groups are covered and is even more pronounced at high temperatures.