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Related Concept Videos

Phase Transitions: Melting and Freezing02:39

Phase Transitions: Melting and Freezing

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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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Phase Transitions: Vaporization and Condensation02:39

Phase Transitions: Vaporization and Condensation

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The physical form of a substance changes on changing its temperature. For example, raising the temperature of a liquid causes the liquid to vaporize (convert into vapor). The process is called vaporization—a surface phenomenon. Vaporization occurs when the thermal motion of the molecules overcome the intermolecular forces, and the molecules (at the surface) escape into the gaseous state. When a liquid vaporizes in a closed container, gas molecules cannot escape. As these gas phase molecules...
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Phase Transitions02:31

Phase Transitions

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Whether solid, liquid, or gas, a substance's state depends on the order and arrangement of its particles (atoms, molecules, or ions). Particles in the solid pack closely together, generally in a pattern. The particles vibrate about their fixed positions but do not move or squeeze past their neighbors. In liquids, although the particles are closely spaced, they are randomly arranged. The position of the particles are not fixed—that is, they are free to move past their neighbors to...
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Phase Transitions01:21

Phase Transitions

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A phase transition is the process in which a substance changes from one state of matter to another, like from a solid to a liquid, liquid to gas, or vice versa, at a specific temperature and under given pressure conditions. This change is spontaneous and is affected by alterations in temperature and pressure. These parameters impact the strength of the forces between molecules (intermolecular forces) in the substance.During a phase transition, both the initial and final phases of the substance...
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Phase Diagram01:24

Phase Diagram

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A phase diagram is a graphical representation of the physical states of a substance under different conditions of temperature and pressure. It shows the boundaries between solid, liquid, and gas phases and the conditions at which these phases coexist in equilibrium. An area in a phase diagram represents a single phase, whereas lines or phase boundaries represent the equilibrium between two phases.In the phase diagram of water, the boundary line between the solid and liquid states illustrates...
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Phase Diagram01:19

Phase Diagram

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The phase of a given substance depends on the pressure and temperature. Thus, plots of pressure versus temperature showing the phase in each region provide considerable insights into the thermal properties of substances. Such plots are known as phase diagrams. For instance, in the phase diagram for water (Figure 1), the solid curve boundaries between the phases indicate phase transitions (i.e., temperatures and pressures at which the phases coexist).
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Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
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Size-Dependent Phase Changes in Water Clusters.

Toshihiro Kaneko, Takuma Akimoto, Kenji Yasuoka

  • 1Department of Chemistry, University of Nebraska-Lincoln , Lincoln, Nebraska 68588, United States.

Journal of Chemical Theory and Computation
|November 25, 2015
PubMed
Summary
This summary is machine-generated.

Water cluster melting depends on size. Larger clusters (H2O)8 and (H2O)12 show distinct phase changes, unlike smaller ones (H2O)7 and (H2O)11, revealing size-dependent melting behaviors.

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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Area of Science:

  • Physical Chemistry
  • Computational Chemistry
  • Materials Science

Background:

  • Understanding the phase transitions of water clusters is crucial for various scientific disciplines.
  • Previous studies have explored water cluster properties, but size-dependent melting behaviors require further investigation.

Purpose of the Study:

  • To investigate the melting behavior of water clusters with varying sizes (N = 7, 8, 11, and 12).
  • To determine the influence of cluster size on phase transition characteristics.
  • To explore novel computational methods for estimating melting temperatures.

Main Methods:

  • Utilized multicanonical-ensemble molecular dynamics simulations.
  • Analyzed canonical averages of potential energy and heat capacity (CV).
  • Introduced and validated a time-dependent Lindemann parameter approach for melting temperature estimation.

Main Results:

  • Melting behavior is highly size-dependent.
  • (H2O)8 and (H2O)12 exhibit first-order-like phase changes with temporal separation of solid- and liquid-like phases.
  • (H2O)7 and (H2O)11 display continuous-like phase changes without temporal phase separation.

Conclusions:

  • The study successfully differentiates melting behaviors based on water cluster size.
  • A new computational method using Lindemann parameters is proposed and validated for specific cluster sizes.
  • Knowledge of energy differences between neighbor-sized clusters at zero temperature can aid in assessing melting behavior.