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SimKinet:一个基于电模拟的免费教育工具,用于解决化学动力学方程。

SimKinet: A free educational tool based on an electrical analogy to solve chemical kinetic equations.

机构信息

Department of Sciences and Computing, University Centre of Defence, Spanish Air Force Academy, Santiago de la Ribera, Murcia, Spain.

Department of Organic Chemistry, Faculty of Chemistry, University of Murcia, Regional Campus of International Excellence "Campus Mare Nostrum", Espinardo, Murcia, Spain.

出版信息

PLoS One. 2019 Mar 8;14(3):e0213302. doi: 10.1371/journal.pone.0213302. eCollection 2019.

DOI:10.1371/journal.pone.0213302
PMID:30849103
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6407758/
Abstract

In this article we introduce the software SimKinet, a free tool specifically designed to solve systems of differential equations without any programming skill. The underlying method is the so-called Network Simulation Method, which designs and solves an electrical network equivalent to the mathematical problem. SimKinet is versatile, fast, presenting a real user-friendly interface, and can be employed for both educational and researching purposes. It is particularly useful in the first courses of different scientific degrees, mainly Chemistry and Physics, especially when facing non-analytic or complex-dynamics problems. Moreover, SimKinet would help students to understand fundamental concepts, being an opportunity to improve instruction in Chemistry, Mathematics, Physics and other Sciences courses, with no need of advanced knowledge in differential equations. The potency of SimKinet is demonstrated via two applications in chemical kinetics: the photochemical destruction of stratospheric ozone and the chaotic dynamics of the peroxidase-oxidase reaction.

摘要

本文介绍了一款名为 SimKinet 的软件,它是一款免费工具,专门用于解决无需任何编程技能的微分方程系统。其基本方法是所谓的网络仿真方法,它设计并解决了一个与数学问题等效的电路网络。SimKinet 用途广泛、快速,提供了真正的用户友好界面,可用于教育和研究目的。它在不同科学学位的基础课程中特别有用,主要是化学和物理,特别是在面对非解析或复杂动力学问题时。此外,SimKinet 可以帮助学生理解基本概念,是提高化学、数学、物理和其他科学课程教学的机会,无需微分方程的高级知识。SimKinet 的功效通过两个化学动力学应用实例得到了证明:平流层臭氧的光化学破坏和过氧化物酶-氧化酶反应的混沌动力学。

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