Application of the Lennard-Jones potential for calculating the surface tension and the formation enthalpy of a binary solution
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Alexander I. Levinsky
Abstract
In our previous work on this topic, the Lennard-Jones potential was used to derive a semi-empirical formula relating the enthalpy of vaporization of a liquid to the density of the liquid and vapour at equilibrium with it, and a very good agreement between the formula and experimental data was demonstrated. In the present work, this approach has been further developed. The purpose of this work was to apply the Lennard-Jones potential to derive a semi-empirical formula describing the dependence of the surface tension of a liquid on temperature, as well as the dependence of the formation enthalpy of a binary solution on its composition. Solution formation was considered as consisting of two stages: 1) removal of x moles of the first component and 1– x moles of the second component from pure liquids into vacuum; in this case, the expended energy is equal to the energy of interaction of these molecules with all molecules in the volume of these liquids in accordance with the Lennard-Jones potential; 2) their movement from vacuum to an infinitely large volume of a solution of composition x; in this case, the released energy is equal to the energy of interaction of these molecules with all the molecules of the solution. The enthalpy of solution formation is equal to the algebraic sum of the mentioned interaction energies. Since surface tension is due to the action of the same forces of intermolecular interaction, a similar formula can be used to describe the dependence of surface tension on temperature. A comparison of the derived equations with the experiment shows that the resulting equations are in exceptionally good agreement with the experimental data.
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Author contributions: The author has accepted responsibility for the entire content of this submitted manuscript and approved submission.
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Research funding: None declared.
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Conflict of interest statement: The author declare no conflicts of interest regarding this article.
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Artikel in diesem Heft
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Artikel in diesem Heft
- Frontmatter
- Original Papers
- Suppression of steel corrosion via some gemini cationic surfactant-based Schiff base: experimental and theoretical investigations
- Synthesis of poly (N-isopropyl acrylamide-co-2-acrylamido methylpropane sulfonic acid) hydrogel containing copper and nickel nanoparticles with easy recycling and efficient catalytic potential
- Eco-benign preparation of biosorbent using Momordica Charantia for the efficient removal of Cr(VI) ions from wastewater
- Oil mediated green synthesis of nano silver in the presence of surfactants for catalytic and food preservation application
- Adsorption properties of metal functionalized fullerene (C59Au, C59Hf, C59Ag, and C59Ir) nanoclusters for application as a biosensor for hydroxyurea (HXU): insight from theoretical computation
- Evaluation of diethylenetriaminepentaacetic acid modified chitosan immobilized in amino-carbmated alginate matrix as a low cost adsorbent for effective Cu(II) recovery
- Screening of four accelerated synthesized techniques in green fabrication of ZnO nanoparticles using Willow leaf extract
- Preparation and comparative evaluation of PVC/PbO and PVC/PbO/graphite based conductive nanocomposites
- Optical and topographic characteristics of silver films deposited from a colloidal solution on polyelectrolytes for IgG-FITC fluorescence analysis
- The three pyridazines, three naphthyridines and two azoles: effect of the position of the second heteroatom on pKaH of their eight conjugate acids
- Theoretical study on the origins of sildenafil tautomers’ relative stability
- Application of the Lennard-Jones potential for calculating the surface tension and the formation enthalpy of a binary solution
- Ultrasonic supported dye removal by a novel biomass
- A novel synthesis of graphene oxide-titanium dioxide (GO-TiO2) and graphene oxide-zinc oxide (GO-ZnO) nanocomposites and their application as effective, reusable photocatalysts for degradation of methylene blue (MB) dye
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