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Adiabatic Processes for an Ideal Gas01:18

Adiabatic Processes for an Ideal Gas

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When an ideal gas is compressed adiabatically, that is, without adding heat, work is done on it, and its temperature increases. In an adiabatic expansion, the gas does work, and its temperature drops. Adiabatic compressions actually occur in the cylinders of a car, where the compressions of the gas-air mixture take place so quickly that there is no time for the mixture to exchange heat with its environment. Nevertheless, because work is done on the mixture during the compression, its...
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Pressure and Volume in an Adiabatic Process01:27

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Free expansion of a gas is an adiabatic process. However, there are few differences between free expansion and adiabatic expansion. During free expansion, no work is done, and there is no change in internal energy. But, for an adiabatic expansion, work is done, and there is a change in internal energy. During an adiabatic process, the relation between the pressure and volume is obtained from the condition for the adiabatic process, that is,
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Work Done in an Adiabatic Process01:20

Work Done in an Adiabatic Process

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Consider the adiabatic compression of an ideal gas in the cylinder of an automobile diesel engine. The gasoline vapor is injected into the cylinder of an automobile engine when the piston is in its expanded position. The temperature, pressure, and volume of the resulting gas-air mixture are 20 °C, 1.00 x 105 N/m2, and 240 cm3 , respectively. The mixture is then compressed adiabatically to a volume of 40 cm3. Note that, in the actual operation of an automobile engine, the compression is not...
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Thermodynamic Potentials01:26

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Thermodynamic potentials are state functions that are extremely useful in analyzing a thermodynamic system. They have dimensions of energy. The four important thermodynamic potentials are internal energy, enthalpy, Helmholtz free energy, and Gibbs free energy. These thermodynamic potentials can be expressed using two of the following variables: pressure, volume, temperature, and entropy. These two variables are expressed as the rate of change of the thermodynamic potential with respect to other...
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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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Plane Potential Flows01:23

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Plane potential flows simplify fluid motion by assuming the fluid to be irrotational and incompressible. These characteristics allow these flows to be described by a velocity potential function, ϕ, representing the flow speed in a given direction, and a stream function, ψ, that visualizes the flow path, both governed by Laplace's equation. These parameters help in estimating flow patterns, velocity distributions, and pressure fields around various hydraulic structures.
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Updated: Apr 18, 2026

A Modeling and Simulation Method for Preliminary Design of an Electro-Variable Displacement Pump
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A Modeling and Simulation Method for Preliminary Design of an Electro-Variable Displacement Pump

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Modeling cusps in adiabatic potential energy surfaces.

B R L Galvão1, V C Mota, A J C Varandas

  • 1Departamento de Química, Centro Federal de Educação Tecnológica de Minas Gerais, CEFET-MG , Av. Amazonas 5253, 30421-169 Belo Horizonte, Minas Gerais, Brazil.

The Journal of Physical Chemistry. A
|January 31, 2015
PubMed
Summary
This summary is machine-generated.

This study introduces a new method for modeling potential energy surfaces, simplifying calculations for complex chemical systems like nitrogen dioxide (NO2) and nitrogen trimers. It avoids complex transformations, making theoretical chemistry more accessible.

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Area of Science:

  • Theoretical Chemistry
  • Computational Chemistry
  • Quantum Chemistry

Background:

  • Modeling potential energy surfaces is crucial for understanding chemical reactions.
  • Adiabatic-to-diabatic transformations can be computationally intensive and complex.
  • Accurate surface modeling is essential for predicting molecular behavior.

Purpose of the Study:

  • To present a novel method for modeling cusps on adiabatic potential energy surfaces.
  • To demonstrate the method's applicability without adiabatic-to-diabatic transformations.
  • To extend the method to systems with permutationally equivalent crossing seams.

Main Methods:

  • Developed a new computational approach for potential energy surface modeling.
  • Applied the method to the (2)A″ state of nitrogen dioxide (NO2).
  • Examined the method's performance on the two first (2)A' states of the nitrogen trimer.

Main Results:

  • Successfully modeled cusps on adiabatic potential energy surfaces for NO2.
  • The method effectively handles systems without requiring adiabatic-to-diabatic transformations.
  • Demonstrated applicability to complex systems with equivalent crossing seams, such as nitrogen trimers.

Conclusions:

  • The presented method offers a simplified and effective way to model potential energy surfaces.
  • This approach reduces computational complexity in theoretical chemistry.
  • The technique is versatile and applicable to various molecular systems.