在封闭格子多边形中,相对结的概率
E J Janse van Rensburg1, E Orlandini2, M C Tesi3
1York University, Department of Mathematics and Statistics, Toronto, Ontario M3J 1P3, Canada.
Physical review. E
|August 1, 2025
概括
这项研究研究了在狭窄的空间中环聚合物结结的情况. 结果表明,即使在较高度下,未结结的聚合物也占主导地位,结结的概率仍然很低.
科学领域:
- 聚合物物理 聚合物物理
- 计算化学计算化学
- 统计力学 统计力学
背景情况:
- 环聚合物表现出复杂的拓状态.
- 限制聚合物影响它们的结构性质和结结行为.
研究的目的:
- 为了研究环聚合物在立方格子限制中的相对结结概率.
- 确定聚合物度如何影响局限系统中的结结形成.
主要方法:
- 在立方腔内使用环聚合物的格子模型.
- 采用蒙特卡洛模拟来估计形数量.
- 计算了各种节点类型的相对结结概率 (ρ_{n,L}(K/01)).
主要成果:
- 在研究的限制尺寸 (L≤12) 中,对于广泛的单体度 (φ=n/V) 的相对结结概率仍然很低.
- 该模型主要以未结结的格子多边形为特征.
- 结结的概率随着度的增加而增加,最终随着哈密尔顿状态的接近而平稳.
结论:
- 封闭显著抑制环聚合物中结节的形成.
- 取决于度的结结行为遵循可预测的趋势,在高密度下和.
相关概念视频
Lattice Centering and Coordination Number
9.9K
The structure of a crystalline solid, whether a metal or not, is best described by considering its simplest repeating unit, which is referred to as its unit cell. The unit cell consists of lattice points that represent the locations of atoms or ions. The entire structure then consists of this unit cell repeating in three dimensions. The three different types of unit cells present in the cubic lattice are illustrated in Figure 1.
Types of Unit Cells
Imagine taking a large number of identical...
Types of Unit Cells
Imagine taking a large number of identical...
9.9K
Bewley Lattice Diagram
865
The Bewley lattice diagram, developed by L. V. Bewley, effectively organizes the reflections occurring during transmission-line transients. It visually represents how voltage waves propagate and reflect within a transmission line, making it easier to understand the complex interactions that occur.
865
Hückel's Rule Diagram of π MOs: Frost Circle
4.7K
The Frost circle or the inscribed polygon method is a graphical method for determining the relative energies of π molecular orbitals (MOs) for planar, fully conjugated, and monocyclic compounds. This method was first described by A. A. Frost and Boris Musulin in 1953.
A Frost circle is constructed by drawing a polygon whose number of edges is equal to the number of carbons of the given cyclic system, with one of the vertices pointing down. Then, a circle is drawn enclosing the polygon so...
A Frost circle is constructed by drawing a polygon whose number of edges is equal to the number of carbons of the given cyclic system, with one of the vertices pointing down. Then, a circle is drawn enclosing the polygon so...
4.7K
Poisson's Ratio
545
Poisson's ratio is a material property that indicates their stress response. It explains the connection between the elongation or compression a material undergoes in the direction of an applied force and the contraction or expansion it experiences perpendicular to that force. When a slender bar is loaded axially, it stretches in the direction of the force and contracts laterally. Poisson's ratio is the negative ratio of this lateral contraction to the axial elongation. The negative sign...
545
VSEPR Theory
10.7K
Valence shell electron-pair repulsion theory (VSEPR theory) enables us to predict the molecular structure around a central atom from an examination of the number of bonds and lone electron pairs in its Lewis structure. The VSEPR model assumes that electron pairs in the valence shell of a central atom will adopt an arrangement that minimizes repulsions between these electron pairs by maximizing the distance between them. The electrons in the valence shell of a central atom form either bonding...
10.7K
Ladder Diagrams: Complexation Equilibria
422
Ladder diagrams are useful for evaluating equilibria involving metal-ligand complexes. The vertical scale of the ladder diagram represents the concentration of unreacted or free ligand, pL. The horizontal lines on the scale depict the log of stepwise formation constants for metal-ligand complexes and indicate the dominant species in all the regions.
The formation constant, K1, for the formation of Cd(NH3)2+ complex from cadmium and ammonia is 3.55 × 102. Log K1 (i.e. pNH3) is 2.55, and...
The formation constant, K1, for the formation of Cd(NH3)2+ complex from cadmium and ammonia is 3.55 × 102. Log K1 (i.e. pNH3) is 2.55, and...
422


