KBR, 2400 NASA Parkway, Houston, TX 77058, United States of America.
Phys Med Biol. 2021 Jan 30;66(3):03TR02. doi: 10.1088/1361-6560/abbd19.
Historically, the field of radiation chemistry began shortly after the discovery of radioactivity, and its development has been closely related to discoveries in other related fields such as radiation and nuclear physics. Radiolysis of water and radiation chemistry have been very important in elucidating how radiation affects living matter and how it induces DNA damage. Nowadays, we recognize the importance of chemistry to understanding the effects of radiation on cells; however, it took several decades to obtain this insight, and much is still unknown. The radiolysis of water and aqueous solutions have been the subject of much experimental and theoretical research for many decades. One important concept closely related to radiation chemistry is radiation track structure. Track structure results from early physical and physicochemical events that lead to a highly non-homogenous distribution of radiolytic species. Because ionizing radiation creates unstable species that are distributed non-homogenously, the use of conventional reaction kinetics methods does not describe this chemistry well. In recent years, several methods have been developed for simulating radiation chemistry. In this review, we give a brief history of the field and the development of the simulation codes. We review the current methods used to simulate radiolysis of water and radiation chemistry, and we describe several radiation chemistry codes and their applications.
从历史上看，辐射化学领域是在放射性发现后不久开始的，其发展与辐射和核物理等相关领域的发现密切相关。水的辐射分解和辐射化学在阐明辐射如何影响生物物质以及如何诱导 DNA 损伤方面非常重要。如今，我们认识到化学对于理解辐射对细胞的影响的重要性；然而，要获得这种认识需要几十年的时间，而且还有很多未知的地方。几十年来，水和水溶液的辐射分解一直是大量实验和理论研究的主题。与辐射化学密切相关的一个重要概念是辐射轨迹结构。轨迹结构源于导致辐射分解产物高度非均匀分布的早期物理和物理化学事件。由于电离辐射会产生分布不均匀的不稳定物质，因此传统的反应动力学方法无法很好地描述这种化学。近年来，已经开发出几种用于模拟辐射化学的方法。在这篇综述中，我们简要介绍了该领域的历史和模拟代码的发展。我们回顾了用于模拟水的辐射分解和辐射化学的当前方法，并描述了几种辐射化学代码及其应用。
