论文标题

分析共聚物生长的通用方法

A Universal Method for Analysing Copolymer Growth

论文作者

Qureshi, Benjamin J., Juritz, Jordan, Poulton, Jenny M., Beersing-Vasquez, Adrian, Ouldridge, Thomas E.

论文摘要

由多种单体(称为共聚物)组成的聚合物对于生活和合成系统至关重要。通常,通过考虑马尔可夫过程,在多种情况下对共聚物进行了理论研究,其中添加或从长长共聚物的增长尖端中添加或去除单体。迄今为止,对该类最通用模型的分析需要进行模拟。我们提出了一种分析此类过程而不诉诸于模拟的通用方法。我们的方法可以在添加或去除单体之前具有任意子步骤网络的模型,包括非平衡动力学校对周期。此外,该方法允许在共聚物中相邻位点上的加法和去除反应以及热力学自洽的模型,其中所有步骤都假定在显微镜上可逆。使用我们的方法,例如化学工作等热力学数量;动力学数量,例如花费的时间;统计量(例如,生长共聚物中单体类型的分布)可以直接从模型定义上分析或数值得出。

Polymers consisting of more than one type of monomer, known as copolymers, are vital to both living and synthetic systems. Copolymerisation has been studied theoretically in a number of contexts, often by considering a Markov process in which monomers are added or removed from the growing tip of a long copolymer. To date, the analysis of the most general models of this class has necessitated simulation. We present a general method for analysing such processes without resorting to simulation. Our method can be applied to models with an arbitrary network of sub-steps prior to addition or removal of a monomer, including non-equilibrium kinetic proofreading cycles. Moreover, the approach allows for a dependency of addition and removal reactions on the neighbouring site in the copolymer, and thermodynamically self-consistent models in which all steps are assumed to be microscopically reversible. Using our approach, thermodynamic quantities such as chemical work; kinetic quantities such as time taken to grow; and statistical quantities such as the distribution of monomer types in the growing copolymer can be derived either analytically or numerically directly from the model definition.

扫码加入交流群

加入微信交流群

微信交流群二维码

扫码加入学术交流群,获取更多资源