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相关概念视频

Types of Damping01:20

Types of Damping

6.4K
If the amount of damping in a system is gradually increased, the period and frequency start to become affected because damping opposes, and hence slows, the back and forth motion (the net force is smaller in both directions). If there is a very large amount of damping, the system does not even oscillate; instead, it slowly moves toward equilibrium. In brief, an overdamped system moves slowly towards equilibrium, whereas an underdamped system moves quickly to equilibrium but will oscillate about...
6.4K
Calculating Standard Free Energy Changes02:49

Calculating Standard Free Energy Changes

20.7K
The free energy change for a reaction that occurs under the standard conditions of 1 bar pressure and at 298 K is called the standard free energy change. Since free energy is a state function, its value depends only on the conditions of the initial and final states of the system. A convenient and common approach to the calculation of free energy changes for physical and chemical reactions is by use of widely available compilations of standard state thermodynamic data. One method involves the...
20.7K
Damped Oscillations01:07

Damped Oscillations

5.6K
In the real world, oscillations seldom follow true simple harmonic motion. A system that continues its motion indefinitely without losing its amplitude is termed undamped. However, friction of some sort usually dampens the motion, so it fades away or needs more force to continue. For example, a guitar string stops oscillating a few seconds after being plucked. Similarly, one must continually push a swing to keep a child swinging on a playground.
Although friction and other non-conservative...
5.6K
Arrhenius Plots02:34

Arrhenius Plots

38.6K
The Arrhenius equation relates the activation energy and the rate constant, k, for chemical reactions. In the Arrhenius equation, k = Ae−Ea/RT, R is the ideal gas constant, which has a value of 8.314 J/mol·K, T is the temperature on the kelvin scale, Ea is the activation energy in J/mole, e is the constant 2.7183, and A is a constant called the frequency factor, which is related to the frequency of collisions and the orientation of the reacting molecules.
The Arrhenius equation can be used...
38.6K
Free Energy and Equilibrium00:55

Free Energy and Equilibrium

6.0K
The free energy change for a process may be viewed as a measure of its driving force. A negative value for ΔG represents a driving force for the process in the forward direction, while a positive value represents a driving force for the process in the reverse direction. When ΔG is zero, the forward and reverse driving forces are equal, and the process occurs in both directions at the same rate (the system is at equilibrium).
The reaction quotient, Q, is a convenient measure of the...
6.0K
Thermodynamics: Activity Coefficient01:24

Thermodynamics: Activity Coefficient

1.3K
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...
1.3K

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相关实验视频

Updated: Jun 4, 2025

Dissipative Microgravimetry to Study the Binding Dynamics of the Phospholipid Binding Protein Annexin A2 to Solid-supported Lipid Bilayers Using a Quartz Resonator
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Dissipative Microgravimetry to Study the Binding Dynamics of the Phospholipid Binding Protein Annexin A2 to Solid-supported Lipid Bilayers Using a Quartz Resonator

Published on: November 1, 2018

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使用缓冲函数方法计算吸附物自由能量.

Yanhua Lei1, Lei Liu2, Erjun Zhang1

  • 1Hunan Provincial Key Laboratory of Xiangnan Rare-Precious Metals Compounds and Applications, School of Chemistry and Environmental Science, Xiangnan University, Chenzhou, Hunan 423000, P. R. China.

Journal of chemical theory and computation
|December 19, 2024
PubMed
概括

一个新的模型改进了对弱吸附的吸附剂自由能量的计算,这对于表面化学和催化是至关重要的. 它准确地描述了原子转换,与旧的方法不同.

科学领域:

  • 表面化学 表面化学
  • 催化剂是一种催化剂.
  • 计算化学计算化学

背景情况:

  • 吸附剂自由能量是表面化学和催化过程中的关键.
  • 波器 (HO) 模型被广泛使用,但由于吸附弱而失败.
  • 准确的自由能量计算对于微动力学建模至关重要.

研究的目的:

  • 开发一个更准确的模型来计算吸附剂的自由能量,特别是对吸附性较弱的物种.
  • 引入一个包含扩散屏障和有效质量的转化模型.
  • 提出一种基于扩散屏障的缓冲功能 (DF),以统一处理受阻转化.

主要方法:

  • 提出了一个具有扩散屏障和有效质量的转化模型.
  • 开发了基于扩散屏障的缓冲功能 (DF),以弥合振动和转换的限制.
  • 根据吸附强度和扩散屏障高度对吸附剂进行分类.
  • 应用方法吸附原子和脱反应在Pt上.

主要成果:

  • 拟议的模型和DF方法预测了室温以上的吸附原子的转换.
  • 之前的DF方法错误地预测了在所有温度下对吸附原子的振动.
  • 使用脱示例证明了不同方法对热力学功能的影响.

更多相关视频

Study of Short Peptide Adsorption on Solution Dispersed Inorganic Nanoparticles Using Depletion Method
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Study of Short Peptide Adsorption on Solution Dispersed Inorganic Nanoparticles Using Depletion Method

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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

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相关实验视频

Last Updated: Jun 4, 2025

Dissipative Microgravimetry to Study the Binding Dynamics of the Phospholipid Binding Protein Annexin A2 to Solid-supported Lipid Bilayers Using a Quartz Resonator
07:11

Dissipative Microgravimetry to Study the Binding Dynamics of the Phospholipid Binding Protein Annexin A2 to Solid-supported Lipid Bilayers Using a Quartz Resonator

Published on: November 1, 2018

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Study of Short Peptide Adsorption on Solution Dispersed Inorganic Nanoparticles Using Depletion Method
09:43

Study of Short Peptide Adsorption on Solution Dispersed Inorganic Nanoparticles Using Depletion Method

Published on: April 11, 2020

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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

12.7K

结论:

  • 具有扩散屏障的新转化模型为吸附性较弱的物种提供了更好的准确性.
  • 拟议的缓冲功能有效地统一了吸附物的振动和转化行为.
  • 准确的热力学函数对于可靠的表面化学和催化模型是必不可少的.