Related Experiment Video
Updated: Aug 22, 2025

A Microfluidic Approach for the Study of Ice and Clathrate Hydrate Crystallization
Published on: August 18, 2022
Kinetic coefficient for ice-water interface from simulated non-equilibrium relaxation at coexistence
Ravi Kumar Reddy Addula1, Baron Peters1
1Chemical and Biomolecular Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA.
This study calculates the ice-water kinetic coefficient using molecular simulations. The findings offer new insights into solidification theory and interface dynamics.
Area of Science:
- Materials Science
- Thermodynamics
- Computational Physics
Background:
- Solidification theory links kinetic coefficients to supercooling and interface velocity.
- Curvature forces are expected to drive interface migration at coexistence temperatures.
Purpose of the Study:
- To compute the ice-water kinetic coefficient from molecular simulations.
- To investigate interface migration driven by curvature forces at coexistence temperature.
Main Methods:
- Molecular simulations were employed to model a sinusoidal ice-water interface.
- The kinetic coefficient was calculated starting from the coexistence temperature.
Main Results:
- The ice-water kinetic coefficient was successfully computed for basal and prismatic ice planes.
- Results were compared with previous estimates from equilibrium correlation functions and supercooled simulations.
Conclusions:
- This simulation approach provides a novel method for determining kinetic coefficients.
- The study contributes to a deeper understanding of ice solidification and interface behavior.
More Related Videos
07:48An Externally-Heated Diamond Anvil Cell for Synthesis and Single-Crystal Elasticity Determination of Ice-VII at High Pressure-Temperature Conditions
Published on: June 18, 2020
11:51Visually Based Characterization of the Incipient Particle Motion in Regular Substrates: From Laminar to Turbulent Conditions
Published on: February 22, 2018
Related Concept Videos
Thermodynamics: Activity Coefficient
The activity coefficient is a measure of the deviation from ideal behavior. When the ionic strength of the solution is minimal, the activity coefficient of an ionic species is close to unity, making...
Theories of Dissolution: The Danckwerts' Model and Interfacial Barrier Model
Intermolecular Forces in Solutions
When the strengths of the intermolecular forces of attraction between solute and solvent species in a solution are no different than those present in the separated components, the solution is formed with no accompanying energy change. Such a solution is called an ideal solution. A mixture of ideal gases (or gases such as helium and argon,...
Factors Affecting Activity Coefficient
The activity coefficient value for an ion is close to one when the solution has almost zero ionic strength, i.e., when the solution shows close to ideal behavior. As the ionic strength of the solution increases from 0 to 0.1 mol/L, a...
Calculating the Equilibrium Constant
For example, gaseous nitrogen dioxide forms dinitrogen tetroxide according to this equation:
Intermolecular Forces