混合化和密度功能理论 (DFT) 关于双子星和非离子表面活性剂之间的分子相互作用的研究
Naved Azum1, Malik Abdul Rub1, Muhammad Tariq Saeed Chani1
1Center of Excellence for Advanced Materials Research, King Abdulaziz University.
Journal of oleo science
|January 5, 2025
概括
这项研究探讨了使用导电计的双子表面活性剂G5和Triton X-100的混合化. 观察到有吸引力的相互作用,其中TX-100对G5产生影响.
科学领域:
- 表面活性剂化学 表面活性剂化学
- 物理化学 物理化学
- 材料科学 材料科学 材料科学
背景情况:
- 双子座表面活性剂由于其结构而具有独特的特性.
- 像Triton X-100这样的非离子表面活性剂在各种应用中广泛使用.
- 了解混合化对于设计先进配方至关重要.
研究的目的:
- 为了研究双子表面活性剂G5和非离子表面活性剂TX-100的混合化行为.
- 为了确定混合系统的相互作用参数和热力学特性.
- 为了阐明TX-100对双子表面活性剂对比离子结合的影响.
主要方法:
- 导电测量技术用于研究化.
- 克林特的理论和正规溶液近似分析混合.
- 密度功能理论 (DFT) 与分子相互作用的PCM模型.
主要成果:
- 负相互作用参数 (β) 表示G5和TX-100之间的吸引力.
- 计算活动系数和混合微粒的过量吉布斯自由能量.
- 在TX-100.00的存在下,吉米尼表面活性剂的相对离子结合减少.
结论:
- 双子座表面活性剂G5和TX-100在混合细胞中表现出协同吸引的相互作用.
- TX-100显著影响G5.5的对结合.
- DFT计算支持在混合系统中观察到的分子相互作用.
相关概念视频
Comparing Intermolecular Forces: Melting Point, Boiling Point, and Miscibility
43.4K
Intermolecular forces are attractive forces that exist between molecules. They dictate several bulk properties, such as melting points, boiling points, and solubilities (miscibilities) of substances. Molar mass, molecular shape, and polarity affect the strength of different intermolecular forces, which influence the magnitude of physical properties across a family of molecules.
Temporary attractive forces like dispersion are present in all molecules, whether they are polar or nonpolar. They...
Temporary attractive forces like dispersion are present in all molecules, whether they are polar or nonpolar. They...
43.4K
Solubility
17.1K
Solution, Solubility, and Solubility Equilibrium
A solution is a homogeneous mixture composed of a solvent, the major component, and a solute, the minor component. The physical state of a solution—solid, liquid, or gas—is typically the same as that of the solvent. Solute concentrations are often described with qualitative terms such as dilute (of relatively low concentration) and concentrated (of relatively high concentration).
In a solution, the solute particles (molecules,...
A solution is a homogeneous mixture composed of a solvent, the major component, and a solute, the minor component. The physical state of a solution—solid, liquid, or gas—is typically the same as that of the solvent. Solute concentrations are often described with qualitative terms such as dilute (of relatively low concentration) and concentrated (of relatively high concentration).
In a solution, the solute particles (molecules,...
17.1K
Intermolecular Forces and Physical Properties
20.2K
20.2K
Colloids
17.1K
Children at play often make suspensions such as mixtures of mud and water, flour and water, or a suspension of solid pigments in water known as tempera paint. These suspensions are heterogeneous mixtures composed of relatively large particles that are visible to the naked eye or can be seen with a magnifying glass. They are cloudy, and the suspended particles settle out after mixing. On the other hand, a solution is a homogeneous mixture in which no settling occurs and in which the dissolved...
17.1K
Intermolecular Forces
55.3K
Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen...
55.3K


