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Related Concept Videos

Liquid–Solid Solutions01:29

Liquid–Solid Solutions

The process of a solid dissolving in a liquid to form a solution is governed by the solubility limit, which is the maximum amount of the solid substance, or solute, that can be dissolved in a specific volume of the liquid or solvent. As the solute dissolves, it reaches a point where no more solute can be dissolved at a given temperature - this is known as the saturation point. However, if further solute is added and it manages to dissolve, the solution becomes supersaturated. Supersaturated...
Structures of Solids02:22

Structures of Solids

Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
Two Components: Liquid–Liquid Systems01:27

Two Components: Liquid–Liquid Systems

A pressure-composition phase diagram explicitly describes the behavior of an ideal solution of two volatile liquids under varying pressures and compositions. A pressure-composition diagram has two main curves. The bubble point curve represents the plot of pressure versus liquid mole fraction. It indicates the pressure at which the first bubble of vapor forms from the liquid phase as the system pressure decreases.The dew point curve is the pressure versus vapor mole fraction. It indicates the...
Metallic Solids02:37

Metallic Solids

Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
Molecular and Ionic Solids02:54

Molecular and Ionic Solids

Crystalline solids are divided into four types: molecular, ionic, metallic, and covalent network based on the type of constituent units and their interparticle interactions.
Molecular Solids
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Phase Transitions: Sublimation and Deposition

Some solids can transition directly into the gaseous state, bypassing the liquid state, via a process known as sublimation. At room temperature and standard pressure, a piece of dry ice (solid CO2) sublimes, appearing to gradually disappear without ever forming any liquid. Snow and ice sublimate at temperatures below the melting point of water, a slow process that may be accelerated by winds and the reduced atmospheric pressures at high altitudes. When solid iodine is warmed, the solid sublimes...

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Updated: May 19, 2026

Preparation of Graphene-Supported Microwell Liquid Cells for In Situ Transmission Electron Microscopy
08:30

Preparation of Graphene-Supported Microwell Liquid Cells for In Situ Transmission Electron Microscopy

Published on: July 15, 2019

Structure-based coarse-graining in liquid slabs.

Mara Jochum1, Denis Andrienko, Kurt Kremer

  • 1Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany.

The Journal of Chemical Physics
|August 18, 2012
PubMed
Summary
This summary is machine-generated.

We generalized structure-based coarse-graining for inhomogeneous systems, improving interface properties without altering bulk liquid structure. This method enhances simulations of complex molecular environments.

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Preparation of Liquid-exfoliated Transition Metal Dichalcogenide Nanosheets with Controlled Size and Thickness: A State of the Art Protocol
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Area of Science:

  • Computational Chemistry
  • Materials Science
  • Statistical Mechanics

Background:

  • Structure-based coarse-graining typically requires uniform density distributions.
  • Simulating inhomogeneous systems, like interfaces, presents challenges for standard coarse-graining methods.

Purpose of the Study:

  • To generalize structure-based coarse-graining for inhomogeneous systems.
  • To improve the accuracy of coarse-grained simulations for interfacial phenomena.

Main Methods:

  • Applied structure-based coarse-graining to slabs of liquid water and methanol in vacuum.
  • Coarse-grained a single benzene molecule at a water-vacuum interface.
  • Matched pair correlation functions between atomistic and coarse-grained representations.

Main Results:

  • Successfully generalized coarse-graining for inhomogeneous systems.
  • Observed improvements in thermodynamic properties and interface structure.
  • Maintained local structure accuracy in bulk liquid regions.

Conclusions:

  • Coarse-graining in inhomogeneous systems enhances simulation accuracy.
  • The generalized method is effective for interfaces and bulk liquids.
  • This approach offers a more robust tool for molecular simulations.