相关实验视频
Updated: Jun 23, 2025

16:20
Hyperpolarized Xenon for NMR and MRI Applications
Published on: September 6, 2012
19.5K
一个分子动力学研究 Xe/Kr 分离机制使用晶体生长方法
Liangliang Liu1, Dawei Guan2, Yi Lu1
1Shenyang Aircraft Design Institute Shenyang 110042, China.
ACS omega
|June 24, 2024
概括
基于酸盐的气体分离有效地分离了和的混合物. 分子动力学模拟显示温度和压力影响和在水合物中的占用.
科学领域:
- 化学工程是化学工程的重要组成部分.
- 材料科学 材料科学 材料科学
- 物理化学 物理化学
背景情况:
- (Xe) 和 (Kr) 气体分离至关重要,但由于相似的分子性质,很难.
- 基于酸盐的气体分离为分离这些高贵气体提供了一个有前途的方法.
研究的目的:
- 调查基于酸盐的气体分离对/混合物的有效性.
- 通过分子动力学模拟,分析温度和压力对水合物内的客分子占用率的影响.
主要方法:
- 利用分子动力学 (MD) 模拟来建模水合物形成和客分子封装.
- 在不同的温度和压力条件下,检查了和在不同的水合物结构中的占用率 (512,51264).
主要成果:
- 增加的温度和压力增加了512和5126和4中的异占用率.
- 升高的压力改善了5个子中的子占用率,6个子中的子占用率,对5个子占用率的影响最小.
- 较高的温度和压力减少了空的水合物的数量,表明更高效的客分子填充.
结论:
- 基于酸盐的分离对于/混合物来说是一个可行的策略.
- 宁优先占据较大的5-12-6-4子,而宁偏好较小的5-12子.
- 优化温度和压力条件可以通过影响水合物内的客分子分布来提高分离效率.
相关概念视频
Noble Gases
17.4K
The elements in group 18 are noble gases (helium, neon, argon, krypton, xenon, and radon). They earned the name “noble” because they were assumed to be nonreactive since they have filled valence shells. In 1962, Dr. Neil Bartlett at the University of British Columbia proved this assumption to be false.
17.4K
X-ray Diffraction of Biological Samples
3.8K
X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are scattered by the electron clouds around the sample atoms. The X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal...
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are scattered by the electron clouds around the sample atoms. The X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal...
3.8K
X-ray Crystallography
23.9K
The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
23.9K
Crystal Growth: Principles of Crystallization
1.8K
Crystallization is a phase transformation process in which crystals are precipitated from a supersaturated solution or formed from other sources. During crystallization, atoms or molecules arrange themselves into a well-defined, rigid crystal lattice to minimize energy.
Initiating crystallization involves manipulating the concentration of the solute and the temperature of the solution. Since crystal growth occurs when the ratio of concentration and solubility of the solute in the solvent...
Initiating crystallization involves manipulating the concentration of the solute and the temperature of the solution. Since crystal growth occurs when the ratio of concentration and solubility of the solute in the solvent...
1.8K

