[图书][B] Classical nucleation theory in multicomponent systems

H Vehkamäki - 2006 - books.google.com
Nucleation is the initial step of every first-order phase transition, and most phase transitions
encountered both in everyday life and industrial processes are of the first-order. Using an …

Aggregation-volume-bias Monte Carlo simulations of vapor-liquid nucleation barriers for Lennard-Jonesium

B Chen, JI Siepmann, KJ Oh, ML Klein - The Journal of chemical …, 2001 - pubs.aip.org
A combination of the aggregation-volume-bias Monte Carlo algorithm and the umbrella
sampling technique is applied to investigate homogeneous vapor–liquid nucleation. This …

Water with excess electric charge

LP Santos, TRD Ducati, LBS Balestrin… - The Journal of …, 2011 - ACS Publications
Water dropping from a biased metal needle acquires net electric charge that can be stored
within a Faraday cup. Positive (negative) water is obtained from a positive (negative) needle …

A molecular dynamics study of structural transitions in small water clusters in the presence of an external electric field

A Vegiri, SV Schevkunov - The Journal of chemical physics, 2001 - pubs.aip.org
Water becomes a more reactive environment when the extent of hydrogen bonding is
reduced. A more hydrogenbonded network structure slows reactions due to its increased …

Thermodynamic study of the electric field effect on liquid–vapor mixture at equilibrium: an analysis on a water–ethanol mixture

S Safaripour, G Anand, C Snoeyink - The Journal of Physical …, 2023 - ACS Publications
In this paper, the effect of electric fields on phase equilibria through polarization is
investigated. A relation is derived for the chemical potential of a system, where the electric …

Monte Carlo simulations of critical cluster sizes and nucleation rates of water

J Merikanto, H Vehkamäki, E Zapadinsky - The Journal of chemical …, 2004 - pubs.aip.org
We have calculated the critical cluster sizes and homogeneous nucleation rates of water at
temperatures and vapor densities corresponding to experiments by Wölk and Strey [J. Phys …

Phase diagram of water under an applied electric field

JL Aragones, LG MacDowell, JI Siepmann, C Vega - Physical review letters, 2011 - APS
Simulations are used to investigate for the first time the anisotropy of the dielectric response
and the effects of an applied electric field E ex on the phase diagram of water. In the …

Extended study of molecular dynamics simulation of homogeneous vapor-liquid nucleation of water

H Matsubara, T Koishi, T Ebisuzaki… - The Journal of chemical …, 2007 - pubs.aip.org
Using the simple point charge/extended water model, we performed molecular dynamics
simulations of homogeneous vapor-liquid nucleation at various values of temperature T and …

Nucleation of water and methanol droplets on cations and anions: the sign preference

KJ Oh, GT Gao, XC Zeng - Physical Review Letters, 2001 - APS
The barrier height to cation-and anion-induced nucleation to produce water and methanol
droplets are calculated by means of an umbrella-sampling Monte Carlo method. The …

Electric-field-induced condensation: An extension of the Kelvin equation

HJ Butt, MB Untch, A Golriz, SA Pihan, R Berger - Physical Review E …, 2011 - APS
The Kelvin equation relates the vapor pressure of a volatile liquid to the curvature of the
liquid surface. It describes phenomena such as capillary condensation, capillary adhesion …