The Effect of Microdroplet Size on the Surface Tension and Tolman Length

Xue, Yongqiang; Yang, Xin-Cheng; Cui, Zixiang; Lai, Weipeng

doi:10.1021/jp1084313

Cited by 75 publications

(57 citation statements)

References 22 publications

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“…For water, the value of δ originally proposed by Tolman was 1 Å, 58 with more recent estimations falling always close to this former appraisal. 59,60 Adopting such a value to compute the surface tension of the interface for the cluster of 94 molecules, and setting r = 8.69 Å, the Kelvin equation turns out to be in remarkable agreement with the vapor pressure computed from our simulations. The results are compared in Table II.…”

Section: The Vapor Pressure Of a Water Nanodropletsupporting

confidence: 62%

A simple grand canonical approach to compute the vapor pressure of bulk and finite size systems

Factorovich

Molinero

Scherlis

2014

The Journal of Chemical Physics

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In this article we introduce a simple grand canonical screening (GCS) approach to accurately compute vapor pressures from molecular dynamics or Monte Carlo simulations. This procedure entails a screening of chemical potentials using a conventional grand canonical scheme, and therefore it is straightforward to implement for any kind of interface. The scheme is validated against data obtained from Gibbs ensemble simulations for water and argon. Then, it is applied to obtain the vapor pressure of the coarse-grained mW water model, and it is shown that the computed value is in excellent accord with the one formally deduced using statistical thermodynamics arguments. Finally, this methodology is used to calculate the vapor pressure of a water nanodroplet of 94 molecules. Interestingly, the result is in perfect agreement with the one predicted by the Kelvin equation for a homogeneous droplet of that size.

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Section: The Vapor Pressure Of a Water Nanodropletsupporting

confidence: 62%

A simple grand canonical approach to compute the vapor pressure of bulk and finite size systems

Factorovich

Molinero

Scherlis

2014

The Journal of Chemical Physics

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“…The molar reaction Gibbs energy of the nano-bismuth electrodes (D r G m ) can be written as [17][18][19][20][21][22],…”

Section: Theoretical Analysismentioning

confidence: 99%

Preparation of Nano‐bismuth with Different Particle Sizes and the Size Dependent Electrochemical Thermodynamics

et al. 2019

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Nano‐bismuth has excellent electrochemical properties. However, it is still unclear how the particle size of nano‐bismuth influences its electrochemical thermodynamic properties. In this paper, spherical bismuth nanoparticles with different particle sizes were prepared by solvothermal method; the electrode potentials, the temperature coefficients of the electrode potentials and the thermodynamic functions of reaction for nano‐bismuth electrodes with different particle sizes at different temperatures were determined; and the effects of particle size on the electrode potential, the temperature coefficient and the thermodynamic functions were discussed. The experimental results show that particle size of bismuth nanoparticles has a significant influences on the electrochemical thermodynamic properties. The standard electrode potential of the nano‐bismuth electrode with a diameter of 39.9 nm was 0.009 V lower than that of the ordinary standard electrode (0.308 V); the temperature coefficient of the electrode potential with a diameter of 39.9 nm was nearly double that of 85.9 nm. With the particle sizes decrease, the standard molar Gibbs energy of reaction, the standard molar enthalpy of reaction, the standard molar entropy of reaction, the molar reversible reaction heat and the temperature coefficient increase; and these quantities are linearly related to the reciprocal of the particle diameter.

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“…When the radius exceeds 10 nm, the surface tension approaches a constant, and the temperature coefficient of surface tension is little dependent on the particle size, partial molar surface area plays a critical role in the effect of particle size on the melting temperature, and molar surface area in that on the integral melting enthalpy and entropy; hence, there is a linear relation of the temperature, integral melting enthalpy, and integral entropy of melting with particle size, respectively. While as the radius is less than 10 nm, the effects of particle size on surface tension and its temperature coefficient cannot be ignored, the linear relations do not exist.…”

Section: Theoretical Sectionmentioning

confidence: 99%

Influence of Size on Melting Thermodynamics of Nanoparticles: Mechanism, Factors, Range, and Degree

Duan

Xue

Cui

et al. 2018

Part & Part Syst Charact

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Particle size plays a crucial role in melting process of nanoparticles, but the mechanism, factors, range, and degree of the size effect are still unclear. Here, the precise equations of the integral melting enthalpy and entropy with radius of nanoparticles are deduced, without any adjustable parameters, and the influencing mechanism and the factors are discussed. Experimentally, the melting of spherical nano‐Au with different radii (0.9–37.4 nm) is taken as a system to research the melting behavior of nanoparticles. Combining the results of theory and experiments, the influencing regularities, range, and degree are discussed. The results indicate that there are significant effects of particle size on the temperature, integral enthalpy, and integral entropy of melting, which decrease with the radius decreasing. These effects can be attributed to specific surface area, surface tension, and its temperature coefficient. When the radius exceeds 10 nm, specific surface area is the decisive factor, there exists the linear relationships of temperature, integral enthalpy, and integral entropy of melting with the reciprocal of radius. However, when the radius is less than 10 nm, the effects of surface tension and its temperature coefficient gradually hold the main position, the linear relations do not exist.

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The Effect of Microdroplet Size on the Surface Tension and Tolman Length

Cited by 75 publications

References 22 publications

A simple grand canonical approach to compute the vapor pressure of bulk and finite size systems

A simple grand canonical approach to compute the vapor pressure of bulk and finite size systems

Preparation of Nano‐bismuth with Different Particle Sizes and the Size Dependent Electrochemical Thermodynamics

Influence of Size on Melting Thermodynamics of Nanoparticles: Mechanism, Factors, Range, and Degree

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