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Guidance on the Selection of Efficient Computational Methods for Multimedia Fate Models

机译：多媒体命运模型高效计算方法选择指南

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摘要

Dynamic multimedia fate models (MFMs) have to deal with the temporal and spatial variation of physical-chemical properties, environmental scenarios, and chemical emissions. In such complex simulation tools, an analytical solution is not practically feasible, and even a numerical approach requires a suitable choice of the method in order to obtain satisfying speed and reliability, particularly when certain combinations of modeling scenarios and chemical properties occur. In this paper, considering some examples of a wide range of realistic chemical and scenario properties, some sources of stiffness in MFM equations are pinpointed. Next, a comparison of the performances of several numerical schemes (chosen as representatives of three wide classes) is performed. The accuracy and the computational effort required by each method is evaluated, illustrating the general effectiveness of automatically adapted timesteps in numerical algorithms and the pros and cons of implicit timestepping. The results show that automatic error control methods can significantly improve the quality of the computed solutions and most often lead to relevant savings in computing time. Additionally, explicit and implicit methods are compared, indicating that an implicit method of medium order (around 5) is the best choice as a general purpose MFM computing engine.
机译：动态多媒体命运模型（MFM）必须处理物理化学特性，环境情景和化学物质排放的时间和空间变化。在这种复杂的仿真工具中，解析解决方案实际上是不可行的，甚至数值方法也需要对方法进行适当选择，以获得令人满意的速度和可靠性，尤其是在发生建模方案和化学性质的某些组合时。在本文中，考虑了许多实际化学性质和情景性质的示例，明确了MFM方程中的一些刚度来源。接下来，进行几种数值方案（被选为三种大类的代表）的性能比较。评估了每种方法所需的准确性和计算量，说明了数值算法中自动调整时间步的一般有效性以及隐式时间步的优缺点。结果表明，自动错误控制方法可以显着提高计算解决方案的质量，并且通常可以节省相关的计算时间。此外，比较了显式和隐式方法，这表明作为通用MFM计算引擎，中等阶数（约5）的隐式方法是最佳选择。

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  • 来源
    《Environmental Science & Technology》 |2012年第3期|p.1616-1623|共8页
  • 作者

    M. Semplice; D. Ghirardello; M. Morselli; A. Di Guardo;

  • 作者单位

    Department of Science and High Technology, University of Insubria, Via Valleggio, 11, Como, Italy;

    Department of Science and High Technology, University of Insubria, Via Valleggio, 11, Como, Italy;

    Department of Science and High Technology, University of Insubria, Via Valleggio, 11, Como, Italy;

    Department of Science and High Technology, University of Insubria, Via Valleggio, 11, Como, Italy;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
  • 原文格式 PDF
  • 正文语种 eng
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