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Related Concept Videos

Surface Tension, Capillary Action, and Viscosity02:57

Surface Tension, Capillary Action, and Viscosity

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Surface Tension
The various IMFs between identical molecules of a substance are examples of cohesive forces. The molecules within a liquid are surrounded by other molecules and are attracted equally in all directions by the cohesive forces within the liquid. However, the molecules on the surface of a liquid are attracted only by about one-half as many molecules. Because of the unbalanced molecular attractions on the surface molecules, liquids contract to form a shape that minimizes the number...
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Surface Tension and Surface Energy01:16

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When a paint brush is immersed in water, the bristles wave freely inside the water. When it is taken out, the bristles stick together. The reason behind this effect is surface tension.
Consider a beaker filled with liquid. The bulk molecules in the liquid experience equal attractive forces on all sides with the surrounding molecules. However, the surface molecules experience a net attractive force downward due to the bulk molecules. The surface of the liquid behaves like a stretched membrane,...
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Vaporization01:18

Vaporization

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The physical form of a substance changes by 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. For vaporization to occur, kinetic energy must be greater than the intermolecular forces that keep molecules bonded. The amount of energy needed to vaporize a quantity of liquid at a given pressure and a constant temperature is called the heat of vaporization. When...
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Surface Tension of Fluid01:22

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Surface tension is a fundamental property of fluids, occurring at the boundary between a liquid and a gas or between two immiscible liquids. This phenomenon arises from the cohesive forces between molecules at the fluid's surface, creating an effect similar to a stretched elastic membrane. Inside each fluid, molecules are equally attracted in all directions by neighboring molecules, but surface molecules experience a net inward force, resulting in surface tension.
Surface tension varies...
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Distillation: Vapor–Liquid Equilibria01:01

Distillation: Vapor–Liquid Equilibria

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Distillation is a separation technique that takes advantage of the boiling point properties of disparate elements in a mixture. To perform distillation, we begin by heating a miscible mixture of two liquids with a significant difference in boiling points (at least 20°C). As the solution heats up and reaches the bubble point of the more volatile component, some molecules of the more volatile component transition into the gas phase and travel upward into the condenser, which is a glass tube...
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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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A Method to Manipulate Surface Tension of a Liquid Metal via Surface Oxidation and Reduction
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Systematic Optimization of Water Models Using Liquid/Vapor Surface Tension Data.

Yudong Qiu1, Paul S Nerenberg2, Teresa Head-Gordon3

  • 1Chemistry Department , University of California, Davis , Davis , California 95616 , United States.

The Journal of Physical Chemistry. B
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Surface tension measurements can refine molecular liquid force fields, offering an alternative to heat of vaporization data. This method improves water models, but careful application is needed for optimal results.

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Area of Science:

  • Computational chemistry
  • Molecular dynamics simulations
  • Physical chemistry

Background:

  • Force field models are crucial for simulating molecular liquids.
  • Heat of vaporization is a common experimental reference, but can be sensitive to corrections.
  • Surface tension offers a less sensitive alternative for fitting force field parameters.

Purpose of the Study:

  • To investigate surface tension as a replacement for heat of vaporization in fitting force field models.
  • To develop a protocol for using surface tension in the ForceBalance optimization procedure.
  • To revise parameters for TIP3P and TIP4P water models using surface tension data.

Main Methods:

  • Utilized ForceBalance optimization procedure.
  • Incorporated experimental surface tension measurements.
  • Developed and tested revised TIP3P-ST and TIP4P-ST water models.

Main Results:

  • The TIP3P-ST model accurately reproduced water's temperature of maximum density but showed overstructuring and less accurate transport properties.
  • The TIP4P-ST model demonstrated high accuracy across various thermodynamic and kinetic properties.
  • Surface tension proved a valuable fitting property, especially for liquids lacking quantum corrections.

Conclusions:

  • Surface tension is a viable and useful experimental reference for fitting force field models.
  • The TIP4P-ST model shows excellent performance, comparable to state-of-the-art models.
  • This approach is particularly beneficial for molecular liquids where heat of vaporization corrections are challenging.