使用元胞自动机对化学系统进行建模（True PDF）

English | PDF (True) | 2005 | 177 Pages | ISBN : 1402036574 | 7.7 MB

Modeling Chemical Systems using Cellular Automata provides a practical introduction to an exciting modeling paradigm for complex systems. The book first discusses the nature of scientific inquiry using models and simulations, and then describes the nature of cellular automata models. It then gives detailed descriptions, with examples and exercises, of how cellular automata models can be used in the study of a wide variety chemical, physical, and biochemical phenomena. Topics covered include models of water itself, solution phenomena, solution interactions with stationary systems, first- and second-order kinetic phenomena, enzyme kinetics, vapor-liquid equilibrium, and atomic and molecular excited-state kinetics. The student experiences these systems through hands-on examples and guided studies. This book is the first of its kind: a textbook and a laboratory manual about cellular automata modeling of common systems in chemistry. The book is designed to be used as a text in undergraduate courses dealing with complex systems and/or as a computational supplement to laboratory courses taught at the undergraduate level. The book includes

- Compact descriptions of a large variety of physical and chemical phenomena

- Illustrative examples of simulations, with exercises for further study

- An instructor's manual for use of the program

The book will be of great value in undergraduate courses in chemistry, physics, biology, applied mathematics, and bioinformatics, and as a supplement for laboratory courses in introductory chemistry, organic chemistry, physical chemistry, medicinal chemistry, chemical engineering and other courses dealing with statistical and dynamic systems. It allows the exploration of a wide range of dynamic phenomena, many of which are not normally accessible within conventional laboratory settings due to limitations of time, cost, and experimental equipment.

Thebook is both a textbook on applied Cellular Automata and a lab manual for chemistry (physics, engineering) courses with lab activity. It would supplement other lab work and be an additonal book the students would use in the course.

The authors have assessed the emerging need for this kind of activity in science labs because of the cost of the practical activitites and the frequent failure of some exercises leading to lost didactic value of some experiments. This book is pioneering an alternative that will grow in use.

There are no course directors who would use Cellular Automata exclusively. The authors see an emerging interest in this kind of work in courses that contain lab exercises. One such course is the graduate course that Lemont Kier gives in Life Sciences about complexity. He uses many examples and studies from Cellular Automata in the latter part of this course.

English | PDF（True）| 2005 | 177页| ISBN:1402036574 | 7.7 MB使用元胞自动机对化学系统进行建模，为复杂系统的令人兴奋的建模范式提供了实用的介绍。这本书首先讨论了使用模型和模拟进行科学探究的性质，然后描述了细胞自动机模型的性质。然后，它通过示例和练习详细描述了细胞自动机模型如何用于研究各种化学、物理和生化现象。涵盖的主题包括水本身的模型、溶液现象、溶液与固定系统的相互作用、一阶和二阶动力学现象、酶动力学、气液平衡以及原子和分子激发态动力学。学生通过动手示例和指导性学习体验这些系统。这本书是同类书籍中的第一本：关于化学中常见系统的细胞自动机建模的教科书和实验室手册。这本书旨在用作处理复杂系统的本科课程的文本和/或作为本科阶段教授的实验室课程的计算补充。本书包括 -对各种物理和化学现象的简洁描述 -模拟示例，附有进一步研究的练习 -程序使用指南 这本书将在化学、物理、生物学、应用数学和生物信息学的本科课程中具有重要价值，并作为基础化学、有机化学、物理化学、药物化学、化学工程和其他涉及统计和动态系统的课程的补充。它允许探索广泛的动态现象，其中许多由于时间、成本和实验设备的限制，在传统的实验室环境中通常无法访问。 这本书既是应用细胞自动机的教科书，也是具有实验室活动的化学（物理、工程）课程的实验室手册。它将补充其他实验工作，并成为学生在课程中使用的补充书。 作者评估了科学实验室对这种活动的新需求，因为实践活动的成本很高，一些练习经常失败，导致一些实验失去了教学价值。这本书开创了一种将越来越多地使用的替代品。 没有课程负责人会专门使用元胞自动机。作者在包含实验练习的课程中看到了对这类工作的兴趣。其中一门课程是Lemont Kier在《生命科学》上开设的关于复杂性的研究生课程。在本课程的后半部分，他使用了许多来自元胞自动机的例子和研究。

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