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相关概念视频

Entropy02:39

Entropy

30.2K
Salt particles that have dissolved in water never spontaneously come back together in solution to reform solid particles. Moreover, a gas that has expanded in a vacuum remains dispersed and never spontaneously reassembles. The unidirectional nature of these phenomena is the result of a thermodynamic state function called entropy (S). Entropy is the measure of the extent to which the energy is dispersed throughout a system, or in other words, it is proportional to the degree of disorder of a...
30.2K
Entropy and the Second Law of Thermodynamics01:20

Entropy and the Second Law of Thermodynamics

2.8K
The second law of thermodynamics can be stated quantitatively using the concept of entropy. Entropy is the measure of disorder of the system.
The relation  between entropy and disorder can be illustrated with the example of the phase change of ice to water. In ice, the molecules are located at specific sites giving a solid state, whereas, in a liquid form, these molecules are much freer to move. The molecular arrangement has therefore become more randomized. Although the change in average...
2.8K
Thermodynamic Potentials01:26

Thermodynamic Potentials

836
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...
836
Third Law of Thermodynamics02:38

Third Law of Thermodynamics

18.9K
A pure, perfectly crystalline solid possessing no kinetic energy (that is, at a temperature of absolute zero, 0 K) may be described by a single microstate, as its purity, perfect crystallinity,and complete lack of motion means there is but one possible location for each identical atom or molecule comprising the crystal (W = 1). According to the Boltzmann equation, the entropy of this system is zero.
18.9K
Density00:56

Density

14.8K
Density is an important characteristic of substances, crucial in determining whether an object sinks or floats in a fluid. Its SI unit is kg/m3, and its cgs unit is g/cm3. The density of an object helps in identifying its composition, and also reveals information about the phase of the matter and its substructure. The densities of liquids and solids are roughly comparable, consistent with the fact that their atoms are in close contact. However, gases have much lower densities than liquids and...
14.8K
Thermodynamics: Activity Coefficient01:24

Thermodynamics: Activity Coefficient

1.5K
Activity is the measure of the effective concentration of the species in solution. It can be expressed as the product of the molar concentration of the species and its activity coefficient. The activity coefficient is a dimensionless quantity and depends on the total ionic strength of the solution.
The activity coefficient is a measure of the deviation from ideal behavior. When the ionic strength of the solution is minimal, the activity coefficient of an ionic species is close to unity, making...
1.5K

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相关实验视频

Updated: Jul 4, 2025

Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes
09:42

Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes

Published on: January 16, 2016

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进入密度的功能理论.

Ahmad Yousefi1, Ariel Caticha1

  • 1Department of Physics, University at Albany, Albany, NY 12222, USA.

Entropy (Basel, Switzerland)
|January 26, 2024
PubMed
概括
此摘要是机器生成的。

本研究将最大应用于量子密度函数理论 (DFT),开发试验密度运算符以优化近似. 这种方法在有限温度下为霍恩伯格-科恩定理提供了新的证明.

关键词:
霍恩伯格科恩定理 霍恩伯格科恩定理密度函数理论密度函数理论热推理的推理在同质流体中.最大的方法最大.

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An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
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Bulk and Thin Film Synthesis of Compositionally Variant Entropy-stabilized Oxides
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Bulk and Thin Film Synthesis of Compositionally Variant Entropy-stabilized Oxides

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相关实验视频

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09:42

Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes

Published on: January 16, 2016

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An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
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An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

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Bulk and Thin Film Synthesis of Compositionally Variant Entropy-stabilized Oxides
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科学领域:

  • 量子力学就是量子力学.
  • 统计力学就是统计力学.
  • 凝聚物质物理学 凝聚物质物理学

背景情况:

  • 密度函数理论 (DFT) 是一种用于电子结构计算的强大的量子力学方法.
  • 最大的方法是构建概率分布和近似的强大工具.
  • 在许多物理和化学领域,了解热平衡中的系统至关重要.

研究的目的:

  • 使用最大的方法制定密度函数理论 (DFT) 方法.
  • 将最大的应用从经典系统扩展到量子系统.
  • 在有限温度下提供霍恩伯格-科恩定理的新推导.

主要方法:

  • 建立一个基于最大的DFT的配方.
  • 引入试验密度运算符,参数为粒子密度.
  • 与准确的正规密度运算符相对最大化量子.

主要成果:

  • 拟议的方法复制了DFT的变量原理.
  • 在有限温度下实现了霍恩伯格-科恩定理的简单证明.
  • 以有限温度的Kohn-Sham近似方案作为一个说明来讨论.

结论:

  • 最大的方法提供了一种系统的方式,在量子 DFT 中生成最佳近似值.
  • 这种公式为有限温度的DFT计算提供了一个强大的理论框架.
  • 该方法为DFT及其应用的基础提供了新的见解.