scholarly journals Classical Nucleation and Lattice Model Unite

2020 ◽  
pp. 32-36
Author(s):  
John H. Jennings
Keyword(s):  
Molecular Weight ◽  
Surface Tension ◽  
Nucleation Rate ◽  
Lattice Model ◽  
Polymer Solutions ◽  
Bubble Nucleation ◽  
Nucleation Theory ◽  
Classical Nucleation Theory ◽  
Molecular Weight Polymer ◽  
To Come

Classical nucleation theory predicts the limit of superheat of liquids quite well. To come up with an equation for the limit of superheat of polymer solutions, the lattice model for polymer solutions was used to give the surface tension of polymer solutions. A formula for bubble nucleation in polymer solutions was derived by Jennings with the precursor equation dlnA/dK=1/(6K) where J=AexpK gives the nucleation rate for liquids. The aim of this paper was to show that the precursor equation holds for monomer in the polystyrene-cyclohexane system. Thus, the precursor equation is true for all molecular weight polymer. This happens because the surface tension of polystyrene is significantly more than cyclohexane and the influence of the surface tension dominates.

scholarly journals Eliminating the Pre-exponential Factor in Classical Nucleation Theory

2019 ◽  
pp. 1-6
Author(s):  
John H. Jennings
Keyword(s):  
Molecular Weight ◽  
Surface Tension ◽  
Nucleation Rate ◽  
Homogeneous Nucleation ◽  
Polymer Concentration ◽  
Nucleation Theory ◽  
Classical Nucleation Theory ◽  
Low Molecular Weight ◽  
Exponential Factor ◽  
New Equation

Blander and Katz give a formula in classical nucleation theory, J = A exp K, for homogeneous nucleation (liquid-->gas). Jennings proved that dlnA/dK = 1/6K for all pure liquids by combining two theories, taking the limit as polymer concentration-->0. This gives lnA = (1/12)ln(K2) + C, where C is the integration constant. The conjecture is that C is a constant for fluids of low molecular weight.  We used data for 7 sample solvents, and solved for C. The surface tension drops out in C, which makes C more accurate, as the surface tension is difficult to get at 0.89Tc, the limit of superheat. Tc = critical point in Kelvin. All quantities are evaluated at the limit of superheat, which is approximately 0.89Tc for solvents. C = 74.77 ± 0.33 for the 7 solvents (not all alkanes). This eliminates the prefactor A, streamlining J: ln J = (1/12)ln(K2) + 74.77 + K is the exact new equation.  A computer can more easily be used to calculate J, the nucleation rate.

Analytical Investigation on the Homogeneous Nucleation in a Mono-Component and Bi-Component Droplet

2019 ◽  
Author(s):  
Xi Xi ◽  
Hong Liu ◽  
Chang Cai ◽  
Ming Jia ◽  
Weilong Zhang
Keyword(s):  
Nucleation Rate ◽  
Homogeneous Nucleation ◽  
Ambient Pressure ◽  
Analytical Investigation ◽  
Bubble Nucleation ◽  
Nucleation Theory ◽  
Classical Nucleation Theory ◽  
Liquid Temperature ◽  
Wide Range ◽  
Good Agreement

Abstract The work attempts to analyze the performance of homogeneous nucleation by using the non-equilibrium thermodynamics theory and the classical nucleation theory. A nucleation rate graph was constructed under a wide range of operating temperature conditions. The results indicate that the superheat limit temperature (SLT) estimated by the modified homogeneous nucleation sub-model is in good agreement with the experimental results. The nucleation rate increases exponentially with the liquid temperature rise when the liquid temperature exceeds the SLT under atmospheric pressure. The superheated temperature needed to trigger the bubble nucleation decreases with the elevated ambient pressure.

scholarly journals Low-temperature nucleation anomaly in silicate glasses shown to be artifact in a 5BaO·8SiO2 glass

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Xinsheng Xia ◽  
D. C. Van Hoesen ◽  
Matthew E. McKenzie ◽  
Randall E. Youngman ◽  
K. F. Kelton
Keyword(s):  
Nucleation Rate ◽  
Experimental Approach ◽  
Cluster Formation ◽  
Heating Time ◽  
Silicate Glasses ◽  
Nucleation Theory ◽  
Classical Nucleation Theory ◽  
Real Phenomenon ◽  
Satisfactory Answer ◽  
Over 40 Years

AbstractFor over 40 years, measurements of the nucleation rates in a large number of silicate glasses have indicated a breakdown in the Classical Nucleation Theory at temperatures below that of the peak nucleation rate. The data show that instead of steadily decreasing with decreasing temperature, the work of critical cluster formation enters a plateau and even starts to increase. Many explanations have been offered to explain this anomaly, but none have provided a satisfactory answer. We present an experimental approach to demonstrate explicitly for the example of a 5BaO ∙ 8SiO2 glass that the anomaly is not a real phenomenon, but instead an artifact arising from an insufficient heating time at low temperatures. Heating times much longer than previously used at a temperature 50 K below the peak nucleation rate temperature give results that are consistent with the predictions of the Classical Nucleation Theory. These results raise the question of whether the claimed anomaly is also an artifact in other glasses.

scholarly journals A semi-analytical method for calculating rates of new sulfate aerosol formation from the gas phase

2007 ◽  
Vol 7 (1) ◽  
pp. 2169-2196 ◽  
Author(s):  
J. Kazil ◽  
E. R. Lovejoy
Keyword(s):  
Steady State ◽  
Gas Phase ◽  
Nucleation Rate ◽  
Atmospheric Modeling ◽  
Sulfate Aerosol ◽  
Nucleation Theory ◽  
Rate Coefficients ◽  
Classical Nucleation Theory ◽  
Aerosol Formation ◽  
Aerosol Model

Abstract. The formation of new sulfate aerosol from the gas phase is commonly represented in atmospheric modeling with parameterizations of the steady state nucleation rate. Such parameterizations are based on classical nucleation theory or on aerosol nucleation rate tables, calculated with a numerical aerosol model. These parameterizations reproduce aerosol nucleation rates calculated with a numerical aerosol model only imprecisely. Additional errors can arise when the nucleation rate is used as a surrogate for the production rate of particles of a given size. We discuss these errors and present a method which allows a more precise calculation of steady state sulfate aerosol formation rates. The method is based on the semi-analytical solution of an aerosol system in steady state and on parameterized rate coefficients for H2SO4 uptake and loss by sulfate aerosol particles, calculated from laboratory and theoretical thermodynamic data.

scholarly journals Analysis of the effect of water activity on ice formation using a new thermodynamic framework

2014 ◽  
Vol 14 (14) ◽  
pp. 7665-7680 ◽  
Author(s):  
D. Barahona
Keyword(s):  
Water Activity ◽  
Nucleation Rate ◽  
Ice Nucleation ◽  
Nucleation Theory ◽  
Cloud Formation ◽  
Classical Nucleation Theory ◽  
Solid Matrix ◽  
Effect Of Water ◽  
Thermodynamic Framework ◽  
New Framework

Abstract. In this work a new thermodynamic framework is developed and used to investigate the effect of water activity on the formation of ice within supercooled droplets. The new framework is based on a novel concept where the interface is assumed to be made of liquid molecules "trapped" by the solid matrix. It also accounts for the change in the composition of the liquid phase upon nucleation. Using this framework, new expressions are developed for the critical ice germ size and the nucleation work with explicit dependencies on temperature and water activity. However unlike previous approaches, the new model does not depend on the interfacial tension between liquid and ice. The thermodynamic framework is introduced within classical nucleation theory to study the effect of water activity on the ice nucleation rate. Comparison against experimental results shows that the new approach is able to reproduce the observed effect of water activity on the nucleation rate and the freezing temperature. It allows for the first time a phenomenological derivation of the constant shift in water activity between melting and nucleation. The new framework offers a consistent thermodynamic view of ice nucleation, simple enough to be applied in atmospheric models of cloud formation.

scholarly journals Entropy and the Tolman Parameter in Nucleation Theory

Entropy ◽  
2019 ◽  
Vol 21 (7) ◽  
pp. 670 ◽  
Author(s):  
Jürn W. P. Schmelzer ◽  
Alexander S. Abyzov ◽  
Vladimir G. Baidakov
Keyword(s):  
Surface Tension ◽  
Size Dependence ◽  
Nucleation Theory ◽  
Crystal Nucleation ◽  
Alternative Methods ◽  
Classical Nucleation Theory ◽  
Component Systems ◽  
Bulk Parameters ◽  
Curvature Dependence ◽  
Gibbs Theory

Thermodynamic aspects of the theory of nucleation are commonly considered employing Gibbs’ theory of interfacial phenomena and its generalizations. Utilizing Gibbs’ theory, the bulk parameters of the critical clusters governing nucleation can be uniquely determined for any metastable state of the ambient phase. As a rule, they turn out in such treatment to be widely similar to the properties of the newly-evolving macroscopic phases. Consequently, the major tool to resolve problems concerning the accuracy of theoretical predictions of nucleation rates and related characteristics of the nucleation process consists of an approach with the introduction of the size or curvature dependence of the surface tension. In the description of crystallization, this quantity has been expressed frequently via changes of entropy (or enthalpy) in crystallization, i.e., via the latent heat of melting or crystallization. Such a correlation between the capillarity phenomena and entropy changes was originally advanced by Stefan considering condensation and evaporation. It is known in the application to crystal nucleation as the Skapski–Turnbull relation. This relation, by mentioned reasons more correctly denoted as the Stefan–Skapski–Turnbull rule, was expanded by some of us quite recently to the description of the surface tension not only for phase equilibrium at planar interfaces, but to the description of the surface tension of critical clusters and its size or curvature dependence. This dependence is frequently expressed by a relation derived by Tolman. As shown by us, the Tolman equation can be employed for the description of the surface tension not only for condensation and boiling in one-component systems caused by variations of pressure (analyzed by Gibbs and Tolman), but generally also for phase formation caused by variations of temperature. Beyond this particular application, it can be utilized for multi-component systems provided the composition of the ambient phase is kept constant and variations of either pressure or temperature do not result in variations of the composition of the critical clusters. The latter requirement is one of the basic assumptions of classical nucleation theory. For this reason, it is only natural to use it also for the specification of the size dependence of the surface tension. Our method, relying on the Stefan–Skapski–Turnbull rule, allows one to determine the dependence of the surface tension on pressure and temperature or, alternatively, the Tolman parameter in his equation. In the present paper, we expand this approach and compare it with alternative methods of the description of the size-dependence of the surface tension and, as far as it is possible to use the Tolman equation, of the specification of the Tolman parameter. Applying these ideas to condensation and boiling, we derive a relation for the curvature dependence of the surface tension covering the whole range of metastable initial states from the binodal curve to the spinodal curve.

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