论文标题
Chempl：用于建模星际化学的可玩包装
Chempl: a playable package for modeling interstellar chemistry
论文作者
论文摘要
需要天体化学建模来理解星际分子的形成和演化，并从星际云的光谱观测中提取物理信息。该建模通常涉及处理化学反应网络以及一组耦合的非线性普通微分方程的解决方案，该方程在传统上是使用以fortran或c/c ++等编译的语言编写的代码进行的。在计算上有效的同时，对于这种方法的易用性和互动性仍然有改善的余地。在这项工作中，我们提出了一个名为Chempl的新公共代码，该代码强调了现代Python环境中的互动性，同时保持计算有效。默认情况下，实施了常见的反应机制和气体化学的三相制。使用chempl运行0D模型是很简单的，只需要少量的额外代码才能构建1D或更高尺寸的化学模型。我们通过一些与星体相关的示例演示了它的用法。
Astrochemical modeling is needed for understanding the formation and evolution of interstellar molecules, and for extracting physical information from spectroscopic observations of interstellar clouds. The modeling usually involves handling of a chemical reaction network and solution of a set of coupled nonlinear ordinary differential equations, which is traditionally done using code written in compiled languages such as Fortran or C/C++. While being computationally efficient, there is room for improvement in the ease of use and interactivity for such an approach. In this work we present a new public code named Chempl, which emphasizes interactivity in a modern Python environment, while remaining computationally efficient. Common reaction mechanisms and a three-phase formulation of gas-grain chemistry are implemented by default. It is straightforward to run 0D models with Chempl, and only a small amount of additional code is needed to construct 1D or higher dimensional chemical models. We demonstrate its usage with a few astrochemically relevant examples.
