基于机器学习的废木生物炭化学活化吸附特性预测。

IF 3.1 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Materials Pub Date : 2024-11-01 DOI:10.3390/ma17215359
Jinman Chang, Jai-Young Lee
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引用次数: 0

摘要

本研究采用机器学习模型来预测从废木材中提取的生物炭-活性炭的吸附特性。活性炭是一种高性能吸附剂,广泛应用于空气净化、水处理、能源生产和储存等领域。然而,活性炭的特性会因活化条件或原材料的不同而变化,因此使用物理化学或数学方法来解释或预测活性炭的特性具有挑战性。因此,利用机器学习技术提前确定活性炭的吸附特性将为活性炭生产带来经济和时间上的优势。我们使用了由 108 个点组成的数据集来预测从废木材中提取的生物炭-活性炭的吸附特性。输入变量为活化条件,输出变量为活性炭的碘值。数据集被随机分成 75% 用于训练,25% 用于模型验证,并用最小-最大函数进行归一化。人工神经网络、随机森林、极梯度提升和支持向量机等四种模型被用来预测生物炭-活性炭的吸附性能。经过优化,人工神经网络模型被确定为最佳模型,其确定系数最高(0.96),均方误差最小(0.004017)。SHAP 分析结果表明,活化时间是影响吸附特性的最关键变量。该机器学习模型可精确预测生物炭活性炭的吸附特性,并可优化活性炭生产工艺。
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Machine Learning-Based Prediction of the Adsorption Characteristics of Biochar from Waste Wood by Chemical Activation.

This study employs machine learning models to predict the adsorption characteristics of biochar-activated carbon derived from waste wood. Activated carbon is a high-performance adsorbent utilized in various fields such as air purification, water treatment, energy production, and storage. However, its characteristics vary depending on the activation conditions or raw materials, making explaining or predicting them challenging using physicochemical or mathematical methods. Therefore, using machine learning techniques to determine the adsorption characteristics of activated carbon in advance will provide economic and time benefits for activated carbon production. Datasets, consisting of 108 points, were used to predict the adsorption characteristics of biochar-activated carbon derived from waste wood. The input variables were the activation conditions, and the iodine number of activated carbon was used as the output variable. The datasets were randomly split into 75% for training and 25% for model validation and normalized by the min-max function. Four models, including artificial neural networks, random forests, extreme gradient boosting, and support vector machines, were used to predict the adsorption properties of biochar-activated carbon. After optimization, the artificial neural network model was identified as the best model, with the highest coefficient determination (0.96) and the lowest mean squared error (0.004017). As a result of the SHAP analysis, activation time was the most crucial variable influencing the adsorption properties. The machine learning model precisely predicts the adsorption characteristics of biochar-activated carbon and can optimize the activated carbon production process.

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来源期刊
Materials
Materials MATERIALS SCIENCE, MULTIDISCIPLINARY-
CiteScore
5.80
自引率
14.70%
发文量
7753
审稿时长
1.2 months
期刊介绍: Materials (ISSN 1996-1944) is an open access journal of related scientific research and technology development. It publishes reviews, regular research papers (articles) and short communications. Our aim is to encourage scientists to publish their experimental and theoretical results in as much detail as possible. Therefore, there is no restriction on the length of the papers. The full experimental details must be provided so that the results can be reproduced. Materials provides a forum for publishing papers which advance the in-depth understanding of the relationship between the structure, the properties or the functions of all kinds of materials. Chemical syntheses, chemical structures and mechanical, chemical, electronic, magnetic and optical properties and various applications will be considered.
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