INCHEM-Py v1.2: a community box model for indoor air chemistry

IF 4 3区地球科学 Q1 GEOSCIENCES, MULTIDISCIPLINARY

Geoscientific Model Development Pub Date : 2023-12-21 DOI:10.5194/gmd-16-7411-2023

David R Shaw, T. Carter, Helen L Davies, Ellen Harding-Smith, Elliott C. Crocker, G. Beel, Zixu Wang, N. Carslaw

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引用次数: 0

Abstract

Abstract. The Indoor CHEMical model in Python, INCHEM-Py, is an open-source and accessible box model for the simulation of the indoor atmosphere and is a refactor (rewrite of source code) and significant development of the INdoor Detailed Chemical Model (INDCM). INCHEM-Py creates and solves a system of coupled ordinary differential equations that include gas-phase chemistry, surface deposition, indoor–outdoor air change, indoor photolysis processes and gas-to-particle partitioning for three common terpenes. It is optimised for ease of installation and simple modification for inexperienced users, while also providing unfettered access to customise the physical and chemical processes for more advanced users. A detailed user manual is included with the model and updated with each version release. In this paper, INCHEM-Py v1.2 is introduced, and the modelled processes are described in detail, with benchmarking between simulated data and published experimental results presented, alongside discussion of the parameters and assumptions used. It is shown that INCHEM-Py achieves excellent agreement with measurements from an experimental campaign which investigate the effects of different surfaces on the concentrations of different indoor air pollutants. In addition, INCHEM-Py shows closer agreement to experimental data than INDCM. This is due to the increased functionality of INCHEM-Py to model additional processes, such as deposition-induced surface emissions. A comparative analysis with a similar zero-dimensional model, AtChem2, verifies the solution of the gas-phase chemistry. Published community use cases of INCHEM-Py are also presented to show the variety of applications for which this model is valuable to further our understanding of indoor air chemistry.

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INCHEM-Py v1.2：室内空气化学群落盒模型

摘要Python 室内化学模型（INCHEM-Py）是一个用于模拟室内大气的开源、可访问的盒式模型，是对室内详细化学模型（INDCM）的重构（源代码重写）和重大发展。INCHEM-Py 创建并求解了一个耦合常微分方程系统，其中包括三种常见萜烯的气相化学、表面沉积、室内外空气变化、室内光解过程和气体-颗粒分配。该系统经过优化，便于没有经验的用户进行安装和简单修改，同时还为高级用户提供了不受限制的自定义物理和化学过程的权限。该模型附带有详细的用户手册，并随着每个版本的发布而更新。本文介绍了 INCHEM-Py v1.2，详细描述了建模过程，并对模拟数据和公布的实验结果进行了比对，同时讨论了所使用的参数和假设。结果表明，INCHEM-Py 与一项实验活动的测量结果非常吻合，该活动研究了不同表面对不同室内空气污染物浓度的影响。此外，与 INDCM 相比，INCHEM-Py 与实验数据的一致性更为接近。这是因为 INCHEM-Py 增加了对沉积引起的表面排放等额外过程进行建模的功能。与类似的零维模型 AtChem2 的对比分析验证了气相化学的解决方案。此外，还介绍了已发表的 INCHEM-Py 社区使用案例，以展示该模型在各种应用中的价值，从而进一步加深我们对室内空气化学的理解。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Geoscientific Model Development GEOSCIENCES, MULTIDISCIPLINARY-

CiteScore

8.60

自引率

9.80%

发文量

352

审稿时长

6-12 weeks

期刊介绍： Geoscientific Model Development (GMD) is an international scientific journal dedicated to the publication and public discussion of the description, development, and evaluation of numerical models of the Earth system and its components. The following manuscript types can be considered for peer-reviewed publication: * geoscientific model descriptions, from statistical models to box models to GCMs; * development and technical papers, describing developments such as new parameterizations or technical aspects of running models such as the reproducibility of results; * new methods for assessment of models, including work on developing new metrics for assessing model performance and novel ways of comparing model results with observational data; * papers describing new standard experiments for assessing model performance or novel ways of comparing model results with observational data; * model experiment descriptions, including experimental details and project protocols; * full evaluations of previously published models.