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Related Concept Videos

Recrystallization: Solid–Solution Equilibria01:10

Recrystallization: Solid–Solution Equilibria

Recrystallization is a purification technique used to separate impurities from solid compounds. In this technique, no chemical reactions occur. Instead, it exploits physical properties only, specifically, the solubility differences between the desired compound and impurities, either at a single temperature or at different temperatures, and under other selected conditions. The solid-solution equilibrium (solubility equilibrium) of each component in the solution represents a binary phase...
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Phase Transitions: Melting and Freezing

Heating a crystalline solid increases the average energy of its atoms, molecules, or ions, and the solid gets hotter. At some point, the added energy becomes large enough to partially overcome the forces holding the molecules or ions of the solid in their fixed positions, and the solid begins the process of transitioning to the liquid state or melting. At this point, the temperature of the solid stops rising, despite the continual input of heat, and it remains constant until all of the solid is...
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Water exists in any one of the three classical states: solid (ice), liquid (water), and gas (steam or water vapor). The state of water depends on i) the intermolecular forces that draw molecules together and ii) the kinetic energy that leads to movements that pull them apart.
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Crystal Growth: Principles of Crystallization01:25

Crystal Growth: Principles of Crystallization

Crystallization is a phase transformation process in which crystals are precipitated from a supersaturated solution or formed from other sources. During crystallization, atoms or molecules arrange themselves into a well-defined, rigid crystal lattice to minimize energy.
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Colloidal precipitates

The high insolubility of some precipitates can result in an unfavorable relative supersaturation. This can lead to colloidal particles with a large surface-to-mass ratio, where adsorption is promoted. For instance, in the precipitation of silver chloride, silver ions are adsorbed on the surface of the colloidal particles, forming a primary layer. This layer attracts ions of opposite charge (such as nitrate ions), forming a diffuse secondary layer of adsorbed ions. This electric double layer...
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The experimental conditions in a gravimetric analysis should be optimized to maximize the particle size and purity of the obtained precipitate. Ideally, the concentration of the precipitating reagent should be low with effective stirring to maintain low relative supersaturation for the growth of large crystals. In homogeneous precipitation, the precipitant is slowly generated by a chemical reaction in the solution to avoid local reagent excesses. For example, urea decomposes gradually to...

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Updated: May 28, 2026

Ice Generation and the Heat and Mass Transfer Phenomena of Introducing Water to a Cold Bath of Brine
08:16

Ice Generation and the Heat and Mass Transfer Phenomena of Introducing Water to a Cold Bath of Brine

Published on: March 13, 2017

Homogeneous ice nucleation from supercooled water.

Tianshu Li1, Davide Donadio, Giovanna Russo

  • 1Department of Civil and Environmental Engineering, George Washington University, Washington, DC 20052, USA. tsli@gwu.edu

Physical Chemistry Chemical Physics : PCCP
|October 13, 2011
PubMed
Summary

Homogeneous ice nucleation rates were calculated using forward flux sampling/molecular dynamics simulations. The study identified novel ice defect structures and found nucleation rates were underestimated compared to experiments.

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Area of Science:

  • Physical Chemistry
  • Materials Science
  • Computational Physics

Background:

  • Homogeneous ice nucleation is crucial for atmospheric processes and materials science.
  • Understanding ice nucleation mechanisms requires accurate simulation methods and water models.
  • Previous studies have faced challenges in accurately predicting ice nucleation rates.

Purpose of the Study:

  • To investigate homogeneous ice nucleation in supercooled water using advanced computational methods.
  • To determine ice nucleation rates and the effective ice-water interface energy.
  • To characterize the structure of nucleating ice embryos and identify novel defect structures.

Main Methods:

  • Combined forward flux sampling (FFS) with molecular dynamics (MD) simulations.
  • Utilized a recently developed coarse-grained water model (mW).
  • Simulations were performed in the temperature range of 220-240 K.

Main Results:

  • Calculated ice nucleation rates show strong temperature dependence, varying significantly from 220 K to 240 K.
  • Estimated the effective ice-water interface energy to be 31.01 ± 0.21 mJ m⁻² for the mW model.
  • Identified nucleating ice embryos containing both cubic (Ic) and hexagonal (Ih) ice structures.
  • Discovered a novel defect structure with quasi five-fold twin boundaries in ice clusters.

Conclusions:

  • The study provides insights into the kinetics and thermodynamics of homogeneous ice nucleation.
  • Calculated nucleation rates underestimate experimental values, suggesting areas for model refinement.
  • The identified defect structure has implications for understanding crystallization in various materials beyond ice.