二维晶格聚合物的特殊吸附点的普遍性类
Nathann T Rodrigues1,2, Tiago J Oliveira2, Thomas Prellberg3
1Instituto de Física, Universidade Federal Fluminense, Avenida Litorânea s/n, 24210-346 Niterói, Rio de Janeiro, Brazil.
Physical review. E
|September 19, 2023
概括
相互作用的自我避开轨道 (ISAT) 由于表面附着球体 (SAG) 阶段,表现出非普遍的吸附行为. 这项研究揭示了正方形格子上ISAT的至少两个普遍性类别,影响了聚合物吸附研究.
科学领域:
- 统计力学就是统计力学.
- 聚合物物理 聚合物物理
- 表面科学是一门科学.
背景情况:
- 在表面上相互作用的自我避开轨道 (ISAT) 显示复杂的吸附行为.
- 之前的研究表明,在正方形格子上的ISAT,在特殊吸附点 (SAP) 上的非普遍吸附.
- 表面的方向影响观察到的指数,表明不同的行为.
研究的目的:
- 在 SAP 调查 ISAT 在方格格子上的非通用行为.
- 为了确定表面方向和阶段在吸附过渡中的作用.
- 为了确定ISAT吸附的独特的普遍性类.
主要方法:
- 使用了广泛的蒙特卡洛模拟.
- 与之前的工作相比,模拟了较长的步道.
- 分析的重点是表面指数和相位图.
主要成果:
- 在对角面 (DS) 系统中确定了表面附着球体 (SAG) 阶段,在水平面 (HS) 系统中缺席.
- SAG阶段改变了SAP的多关键性质.
- DS和修改的水平表面 (mHS) 系统显示了类似的1/δ(s) 指数 (~0.44),与HS案例不同 (~0.34).
结论:
- 该SAG阶段的存在解释了在ISAT吸附中观察到的非普遍行为.
- 至少有两个普遍性类存在于一个正方形格子上的SAP上ISATs.
- 这一发现对理解聚合物吸附现象有意义.
相关概念视频
Polymer Classification: Stereospecificity
2.5K
Polymerization generates chiral centers along the entire backbone of a polymer chain. Accordingly, the stereochemistry of the substituent group has a significant effect on polymer properties. Polymers formed from monosubstituted alkene monomers feature chiral carbons at every alternate position in the polymer backbone. Relative to the predominant orientation of substituents at the adjacent chiral carbons, the polymer can exist in three different configurations: isotactic, syndiotactic, and...
2.5K
Polymer Classification: Architecture
2.8K
Polymers are classified as linear or branched on the basis of their chain architecture. The polymer chains in linear polymers have a long chain-like structure with minimal to no branching at all. Even if a polymer features large substituent groups on the monomer, which appear as branches to the skeleton, it is not considered a branched polymer. A branched polymer contains secondary polymer chains that arise from the main polymer chain. The branching occurs when the polymer growth shifts from...
2.8K
Polymer Classification: Crystallinity
2.9K
Unlike ionic or small covalent molecules, polymers do not form crystalline solids due to the diffusion limitations of their long-chain structures. However, polymers contain microscopic crystalline domains separated by amorphous domains.
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...
2.9K
Characteristics and Nomenclature of Homopolymers
3.1K
Polymers that are made up of identical monomer units are called homopolymers. Only one repeating unit is involved in the construction of the homopolymer structure. For example, as depicted in Figure 1, polypropylene is a homopolymer constituted of propylene monomers. Here, the only repeating unit in the polymer chain is propylene.
3.1K
Polymers: Molecular Weight Distribution
3.5K
For any given polymer, the weight average molecular weight (Mw) is higher than, if not equal to, the number average molecular weight (Mn). The only situation in which the weight average molecular weight and the number average molecular weight are equal is when a polymer consists only of chains with equal molecular weight. However, this never happens in a synthetic polymer, since it is difficult to control the polymerization process up to a molecular level with accuracy to a hundred percent.
3.5K
Lattice Centering and Coordination Number
9.7K
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...
9.7K


