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Related Concept Videos

Crystal Growth: Principles of Crystallization01:25

Crystal Growth: Principles of Crystallization

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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.
Initiating crystallization involves manipulating the concentration of the solute and the temperature of the solution. Since crystal growth occurs when the ratio of concentration and solubility of the solute in the solvent...
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Vapor Pressure of Fluid01:28

Vapor Pressure of Fluid

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The vapor pressure of a fluid is a crucial concept in fluid mechanics, influencing phenomena such as boiling and cavitation. Vapor pressure refers to the pressure exerted by a vapor at a state of thermodynamic equilibrium with its corresponding liquid phase at a specific temperature. It represents the tendency of molecules to escape from the fluid surface into the vapor phase.
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Recrystallization: Solid–Solution Equilibria01:10

Recrystallization: Solid–Solution Equilibria

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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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Vapor Pressure02:34

Vapor Pressure

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When a liquid vaporizes in a closed container, gas molecules cannot escape. As these gas phase molecules move randomly about, they will occasionally collide with the surface of the condensed phase, and in some cases, these collisions will result in the molecules re-entering the condensed phase. The change from the gas phase to the liquid is called condensation. When the rate of condensation becomes equal to the rate of vaporization, neither the amount of the liquid nor the amount of the vapor...
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Phase Diagrams02:39

Phase Diagrams

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A phase diagram combines plots of pressure versus temperature for the liquid-gas, solid-liquid, and solid-gas phase-transition equilibria of a substance. These diagrams indicate the physical states that exist under specific conditions of pressure and temperature and also provide the pressure dependence of the phase-transition temperatures (melting points, sublimation points, boiling points). Regions or areas labeled solid, liquid, and gas represent single phases, while lines or curves represent...
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Vapor Pressure Lowering03:28

Vapor Pressure Lowering

30.5K
The equilibrium vapor pressure of a liquid is the pressure exerted by its gaseous phase when vaporization and condensation are occurring at equal rates:
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Exploring crystallization pressure limits via molecular simulation.

Bilal Mahmoud Hawchar1,2,3, Tulio Honorio4, Matthieu Vandamme1

  • 1Laboratoire Navier, ENPC, Institut Polytechnique de Paris, Université Gustave Eiffel, CNRS, Marne-la-Vallée, France.

The Journal of Chemical Physics
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Summary
This summary is machine-generated.

Crystallization pressure damages materials like cement. Molecular simulations reveal how nanometric wetting films break down, defining critical pressure limits and improving material preservation strategies.

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Area of Science:

  • Geochemistry
  • Materials Science
  • Physical Chemistry

Background:

  • Crystallization pressure causes significant damage to cementitious and geomaterials.
  • Existing theoretical and experimental data on crystallization pressure are highly heterogeneous.
  • Nanometric wetting films are crucial for confined crystallization but difficult to study experimentally.

Purpose of the Study:

  • To determine the limits of the crystallization pressure phenomenon at the nanoscale using molecular simulations.
  • To investigate the critical pressure at which confined wetting films disappear.
  • To understand the influence of wetting film composition on crystallization.

Main Methods:

  • Hybrid configurational bias Monte Carlo-molecular dynamics simulations.
  • Simulations conducted under various temperature and pressure conditions.
  • Comparison of confined pure water films versus confined brine solution films.

Main Results:

  • Established upper and lower boundaries for crystallization pressure.
  • Defined the range of applicability for existing theoretical equations.
  • Identified limiting factors affecting transport properties in constrained films.

Conclusions:

  • Molecular simulations provide critical insights into nanoscale crystallization pressure.
  • Understanding wetting film behavior is key to predicting and mitigating material damage.
  • Results aid in refining theoretical models and developing preservation strategies for geomaterials and cementitious materials.