The correlations of the enthalpy of vaporization and the surface tension of molecular liquids

2006 ◽  
Vol 250 (1-2) ◽  
pp. 125-130 ◽  
Author(s):  
Aliaksei A. Strechan ◽  
Gennady J. Kabo ◽  
Yauheni U. Paulechka
Keyword(s):  
Surface Tension ◽  
Enthalpy Of Vaporization ◽  
Molecular Liquids

scholarly journals Systematic Optimization of Water Models Using Liquid/Vapor Surface Tension Data

2019 ◽  
Author(s):  
Yudong Qiu ◽  
Paul S. Nerenberg ◽  
Teresa Head-Gordon ◽  
Lee-Ping Wang
Keyword(s):  
Surface Tension ◽  
Optimization Procedure ◽  
Kinetic Properties ◽  
Molecular Liquids ◽  
Surface Tension Data ◽  
Heat Of Vaporization ◽  
Experimental Surface ◽  
Temperature Of Maximum Density ◽  
Water Models ◽  
First Time

<div> <div> <div> <p>In this work we investigate whether experimental surface tension measurements, which are less sensitive to quantum and self-polarization corrections, are able to replace the usual reliance on the heat of vaporization as experimental reference data for fitting force field models of molecular liquids. To test this hypothesis we develop the fitting protocol necessary to utilize surface tension measurements in the ForceBalance optimization procedure in order to determine revised parameters for both three-point and four-point water models, TIP3P-ST and TIP4P-ST. We find that the incorporation of surface tension in the fit results in a rigid three-point model that reproduces the correct temperature of maximum density of water for the first time, but also leads to over-structuring of the liquid and less accurate transport properties. The rigid four-point TIP4P-ST model is highly accurate for a broad range of thermodynamic and kinetic properties, with similar performance compared to recently developed four- point water models. The results show surface tension to be a useful fitting property in general, especially when self-polarization corrections or nuclear quantum corrections are not readily available for correcting the heat of vaporization as is the case for other molecular liquids. </p> </div> </div> </div>

Localization of Positronium in Polymers

2010 ◽  
Vol 666 ◽  
pp. 67-70
Author(s):  
Yoshinori Kobayashi ◽  
T. Ichikawa
Keyword(s):  
Surface Tension ◽  
Driving Force ◽  
Zero Point ◽  
Light Particle ◽  
Quantum Mechanical ◽  
Molecular Liquids ◽  
Zero Point Energy ◽  
Point Energy ◽  
Hole Expansion ◽  
Large Quantum

A good correlation is found between ortho-positronium (o-Ps) pick-off annihilation lifetimes and surface tensions of molecular liquids and polymers. Systematic shortening of the o-Ps lifetime with increasing surface tension suggests that the hole for Ps localization in polymers may be that subjected to considerable expansion as in liquids. The driving force of this hole expansion is the large quantum mechanical zero-point energy of a light particle confined in an angstrom size space. The hole expansion is insignificant in a larger nm scale pore, where the zero-point energy is much lowered.

scholarly journals Surface tension of molecular liquids: Lattice gas approach

2017 ◽  
Vol 235 ◽  
pp. 119-125 ◽  
Author(s):  
A. Maslechko ◽  
K. Glavatskiy ◽  
V.L. Kulinskii
Keyword(s):  
Surface Tension ◽  
Lattice Gas ◽  
Molecular Liquids

Tungsten Ionic Liquid: Synthesis and Physicochemical Property

2014 ◽  
Vol 665 ◽  
pp. 237-240
Author(s):  
Qi Yang ◽  
Qiang Yan ◽  
Yun Qin Yang ◽  
Han Wang ◽  
Da Wei Fang ◽  
...  
Keyword(s):  
Surface Tension ◽  
Ionic Liquid ◽  
Physicochemical Property ◽  
Boiling Point ◽  
Enthalpy Of Vaporization ◽  
Molar Enthalpy ◽  
Normal Boiling Point ◽  
Temperature Range

An tungstate ionic liquid (IL) 2-(1-propyl-3-methyl-imidazolium) ([C3mim]2[WO4]), was prepared. The density and surface tension of the IL were determined in the temperature range of (293.15 to 343.15) K. Using Kabo’s method and Rebelo’s method, the molar enthalpy of vaporization of the IL, ΔlgHm0(298 K), at 298 K and, ΔlgHm0(Tb), at hypothetical normal boiling point was estimated, respectively.

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