Julia和R软件在多介质动力学模型建模中的比较  

Comparison of software Julia and R in modeling of multimedia dynamic models

作　　者：莫俊超 吴孝槐[3] 舒耀皋 MO Junchao;WU Xiaohuai;SHU Yaogao(Testing Centre,Shanghai Research Institute of Chemical Industry Co.Ltd.,Shanghai 200062,China;Shanghai Engineering Research Center of Chemicals Public Safety,Shanghai 200062,China;China National Accreditation Service for Conformity Assessment,Beijing 100062,China)

机构地区：[1]上海化工研究院有限公司检测中心,上海200062 [2]上海化学品公共安全工程技术研究中心,上海200062 [3]中国合格评定国家认可委员会,北京100062

出　　处：《化工环保》2021年第4期494-499,共6页Environmental Protection of Chemical Industry

基　　金：上海市科委上海化学品公共安全工程技术研究中心项目(18DZ2280700);上海化工研究院科研计划项目(N307-2016jczx-01)。

摘　　要：多介质动力学模型在环境风险评估中正得到越来越多的研究和应用。为了选择合适的建模软件,通过构建不同复杂程度的EQC(平衡判据)动力学模型,使用开源软件Julia和R编写模型求解程序,对算法选择、计算效率、模型分析工具和便捷性进行比较。结果表明,在多介质动力学模型计算中,Julia的计算效率是R的至少10倍,且提供了丰富的算法和模型分析工具,对于复杂模型,建议使用Julia计算;但由于目前Julia应用的便捷性不如R,对于简单模型,建议使用R计算。化学物质性质不影响模型的运行时间。lsoda是Julia中求解多介质动力学模型的首选算法,而lsoda和bdf是R中的首选算法。Multimedia dynamic models(MDMs)are being studied and employed increasingly in environmental risk assessment.To select proper modeling software,equilibrium criterion(EQC)dynamic models with different complexity were built by using open-source software Julia and R to write the model solving programs,and algorithm selection,computational efficiency,model analysis tools and convenience of them were compared.The results show that in MDM calculation,the computational efficiency of Julia is at least 10 times that of R,and Julia also provided plentiful algorithms and model analysis tools,so Julia was suggested for computation of complex models;however,since Julia is less convenient than R currently,R is recommended for computation of simple models.Properties of chemical substance do not affect the run time of model.The preferred algorithm in Julia for solving MDMs is lsoda,while lsoda and bdf are the preferred ones in R.

关 键 词：多介质模型 动力学 Julia软件 R软件 开源软件 常微分方程 

分 类 号：X820.4[环境科学与工程—环境工程]