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Potential Due to a Polarized Object01:29

Potential Due to a Polarized Object

392
A neutral atom consists of a positively charged nucleus surrounded by a negatively charged electron cloud. When placed in an external electric field, the external electric force pulls the electrons and nucleus apart, opposite to the intrinsic attraction between the nucleus and the electrons. The opposing forces balance each other with a slight shift between the center of masses of the nucleus and the electron cloud, resulting in a polarized atom. On the other hand, a few molecules, like water,...
392
Molecular Shape and Polarity03:37

Molecular Shape and Polarity

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Dipole Moment of a Molecule
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Induced Electric Dipoles01:28

Induced Electric Dipoles

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A permanent electric dipole orients itself along an external electric field. This rotation can be quantified by defining the potential energy because the external torque does work in rotating it. Then, the potential energy is minimum at the parallel configuration and maximum at the antiparallel configuration. While the former is a stable equilibrium, the latter is an unstable equilibrium.
Since the absolute value of potential energy holds no physical meaning, its zero value can be chosen as per...
4.2K
Aqueous Solutions and Heats of Hydration02:42

Aqueous Solutions and Heats of Hydration

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Water and other polar molecules are attracted to ions. The electrostatic attraction between an ion and a molecule with a dipole is called an ion-dipole attraction. These attractions play an important role in the dissolution of ionic compounds in water.
When ionic compounds dissolve in water, the ions in the solid separate and disperse uniformly throughout the solution because water molecules surround and solvate the ions, reducing the strong electrostatic forces between them. This process...
14.7K
Electrolyte and Nonelectrolyte Solutions02:21

Electrolyte and Nonelectrolyte Solutions

62.8K
Substances that undergo either a physical or a chemical change in solution to yield ions that can conduct electricity are called electrolytes. If a substance yields ions in solution, that is, if the compound undergoes 100% dissociation, then the substance is a strong electrolyte. Complete dissociation is indicated by a single forward arrow. For example, water-soluble ionic compounds like sodium chloride dissociate into sodium cations and chloride anions in aqueous solution.
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Bond Polarity, Dipole Moment, and Percent Ionic Character02:48

Bond Polarity, Dipole Moment, and Percent Ionic Character

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Bond Polarity
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相关实验视频

Updated: Jun 25, 2025

Merging Ion Concentration Polarization between Juxtaposed Ion Exchange Membranes to Block the Propagation of the Polarization Zone
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Merging Ion Concentration Polarization between Juxtaposed Ion Exchange Membranes to Block the Propagation of the Polarization Zone

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在水系统中学习电子极化.

Arnab Jana1, Sam Shepherd1, Yair Litman2

  • 1Centre for Quantum Materials and Technologies, School of Mathematics and Physics, Queen's University Belfast, Belfast BT7 1NN, U.K.

Journal of chemical information and modeling
|May 28, 2024
PubMed
概括
此摘要是机器生成的。

大量偏振的统计学学习模型面临由于不连续的原子位置的挑战. 本研究比较了两种方法,发现一种数据驱动的预处理方法有效用于在复杂系统和接口中准确的介电性质建模.

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科学领域:

  • 计算材料科学科学 计算材料科学
  • 在物理学中的统计学学习.
  • 量子化学 是一个量子化学.

背景情况:

  • 周期系的极化是原子位置的不连续函数,阻碍了统计学学习.
  • 对介电性质的准确建模需要强大的极化预测方法.

研究的目的:

  • 为了比较两个不同的方法来构建统计学学习模型的批量两极化.
  • 为了评估大量水系统和具有挑战性的空气-水接口的模型性能.
  • 开发一个计算高效的数据驱动预处理协议用于极化建模.

主要方法:

  • 将点电荷模型预处理方法与Wannier中心预测方法进行比较.
  • 在散装水系统和空气-水接口上测试模型.
  • 使用低级理论衍生物开发数据驱动的预处理协议.

主要成果:

  • 这两种方法在散装系统上性能相对较好,点电荷预处理略高,但需要更多的努力.
  • 瓦尼耶中心方法准确地预测了空气-水界面的极化,没有修改.
  • 数据驱动的预处理协议实现了与现有方法相似的准确性,而不需要明确的点电荷模型.

结论:

  • 拟议的数据驱动预处理策略有效地模拟了复杂系统和接口的两极分化.
  • 这些训练策略有助于构建精确的极化模型来研究介电性质.
  • 这些方法提供了一种途径,可以在研究现实材料时实现初始准确性.