The hydrate shell of a Cl− ion in a planar nanopore. Thermodynamic stability

Шевкунов, С. В.

doi:10.1134/s102319351412009x

Cited by 19 publications

(1 citation statement)

References 55 publications

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“…In the present work, computer simulations are used for studying the effect of hydrophilic walls of a flat nanopore on the structure of hydration shells of singly charged chloride ions. In [49][50][51], the same method was used for finding the data on the structure and thermodynamic properties of this system under the conditions of a nanopore with hydrophobic walls. In [52][53][54], the hydration of ion was simulated for the case of hydrophobic walls.…”

Section: Introductionmentioning

confidence: 99%

Structure and electric properties of the hydration shell of a singly charged chloride ion in a nanopore with hydrophilic walls

Шевкунов

2016

Russ J Electrochem

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The effect of hydrophilic walls on the structure of the hydration shell of a ion is studied in terms of the model flat nanopore in contact with water vapors at room temperature by the Monte Carlo computerassisted simulations. In the field of hydrophilic walls, the hydration shell falls into two parts: the ion-enveloping part and the molecular-film spots spread over the wall surface above and under the ion. Both parts have the pronounced radial-layered structure. The three-dimensional scheme of distribution of the averaged local shell density represents a system of conical coaxial layers expanding in the direction from wall to ion. The effect of forcing out the ion from its own hydration shell is also observed for hydrophilic walls. The specific electric polarizability of the shell is strongly anisotropic. Its longitudinal component is several times larger than the transversal component and behaves nonmonotonically as the hydration shell grows, passing through the maximum. The molecular order near the walls is characterized by the preferential orientation of the molecule plane in parallel to the wall plane and the turn of symmetry axes of molecules in the direction parallel to the normal to the pore plane in the vicinity of the ion.

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Section: Introductionmentioning

confidence: 99%

Structure and electric properties of the hydration shell of a singly charged chloride ion in a nanopore with hydrophilic walls

Шевкунов

2016

Russ J Electrochem

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Bicanonical ensemble Monte Carlo simulation of water condensation in the field of crystal lattice defects

Шевкунов

Singh

2018

Journal of Molecular Liquids

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The fuel burning intensification in the swirl burner using air ionization on the power-generating heat-and-power plant

Maspanov

Bogov

Suhanov

et al. 2019

IOP Conf. Ser.: Earth Environ. Sci.

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According to experts, the power-generating complex in the entire chain from fuel production to the thermal energy application efficiency of the use of energy resources is only 44 %. That necessitates the researching of ways to enhance efficiency of organic fuel burning. One of the way to solve the problem is the burning fuel in the swirl burner with using of ionizated air. Domestic and international researches have shown that atomic oxygen increases the completeness combustion and reduces the number emitted into the atmosphere of pollutant emissions. At present, the reduction of air pollution of toxic substances allocated by industrial enterprises, is one of the most important problems facing humanity. Air pollution has a unhealthy exposure for humans and the environment. In this paper estimated effectiveness of existing chemical kinetic mechanisms of natural gas burning for the swirl burner and mechanisms unhealthy emissions produced based on the results of the evaluation. The purpose of work is to increase the effectiveness of fuel combustion and technical and economic, as well as environmental indicators in the swirl burner on the heat-and-power plant.

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The hydrate shell of a Cl− ion in a planar nanopore. Thermodynamic stability

Cited by 19 publications

References 55 publications

Structure and electric properties of the hydration shell of a singly charged chloride ion in a nanopore with hydrophilic walls

Structure and electric properties of the hydration shell of a singly charged chloride ion in a nanopore with hydrophilic walls

Bicanonical ensemble Monte Carlo simulation of water condensation in the field of crystal lattice defects

The fuel burning intensification in the swirl burner using air ionization on the power-generating heat-and-power plant

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