Sparse Modeling of Nonlinear Dynamics in Heterogeneous Reactions
Sparse Modeling of Nonlinear Dynamics in Heterogeneous Reactions
复制标题
非均相反应非线性动力学的稀疏建模
DOI：
10.1007/978-3-030-36711-4_32
复制
发表时间：
2019
期刊：
影响因子：
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通讯作者：
Omori Toshiaki
中科院分区：
文献类型：
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作者：
Ito Masaki;Kuwatani Tatsu;Oyanagi Ryosuke;Omori Toshiaki
表面非均相反应是多相共轭的化学反应，由于不同相间表面积的影响，其动力学具有内在的非线性。我们提出了一种稀疏建模方法，用于从嘈杂的可观测数据中提取表面非均相反应的非线性动力学。我们采用稀疏建模算法和顺序蒙特卡罗算法对部分观测问题进行求解，以便从多个候选反应项中同时提取大量的反应项和表面模型。利用我们提出的方法，我们成功地估计了溶解和沉淀反应的速率常数，这是典型的表面非均相反应，必要的表面模型和反应项的可观测数据，仅从可观测到的中间产物浓度的时间变化。
Surface heterogeneous reactions are chemical reactions with conjugation of multiple phases, and they have the intrinsic nonlinearity of their dynamics caused by the effect of surface-area between different phases. We propose a sparse modeling approach for extracting nonlinear dynamics of surface heterogeneous reactions from noisy observable data. We employ sparse modeling algorithm and sequential Monte Carlo algorithm to partial observation problem, in order to simultaneously extract substantial reaction terms and surface models from a number of candidates. Using our proposed method, we show that the rate constants of dissolution and precipitation reactions, which are typical examples of surface heterogeneous reactions, necessary surface models and reaction terms underlying observable data were successfully estimated only from the observable temporal changes in the concentration of the dissolved intermediate product.
提取多相反应非线性动力学的稀疏序列蒙特卡罗方法
DOI：
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发表时间：
2021
期刊：
影响因子：
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作者：
Masaki Ito;Tatsu Kuwatani;Ryosuke Oyanagi;Toshiaki Omori
通讯作者：
Toshiaki Omori