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Co-constructive development of a green chemistry-based model for the assessment of nanoparticles synthesis

机译:共同建设基于绿色化学的纳米颗粒合成评估模型

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摘要

Nanomaterials (materials at the nanoscale, 10−9m) are extensively used in several industry sectors due to the improved properties they empower commercial products with. There is a pressing need to produce these materials more sustainably. This paper proposes a MCDA approach to assess the implementation of green chemistry principles as applied to the protocols for nanoparticles synthesis. In the presence of multiple green and environmentally oriented criteria, decision aiding is performed with a synergy of ordinal regression methods; preference information in the form of desired assignment for a subset of reference protocols is accepted. The classification models, indirectly derived from such information, are composed of an additive value function and a vector of thresholds separating the pre-defined and ordered classes. The method delivers a single representative model that is used to assess the relative importance of the criteria, identify the possible gains with improvement of the protocol’s evaluations and classify the non-reference protocols. Such precise recommendation is validated against the outcomes of robustness analysis exploiting the sets of all classification models compatible with all maximal subsets of consistent assignment examples. The introduced approach is used with real-world data concerning silver nanoparticles. It is proven to effectively resolve inconsistency in the assignment examples, tolerate ordinal and cardinal measurement scales, differentiate between inter- and intra-criteria attractiveness and deliver easily interpretable scores and class assignments. This work thoroughly discusses the learning insights that MCDA provided during the co-constructive development of the classification model, distinguishing between problem structuring, preference elicitation, learning, modeling and problem-solving stages.
机译:纳米材料(纳米级的材料,10 −9 m)由于其赋予商业产品的改进性能而被广泛用于多个行业。迫切需要更可持续地生产这些材料。本文提出了一种MCDA方法,用于评估绿色化学原理在纳米颗粒合成方案中的应用。在存在多个绿色和面向环境的标准的情况下,决策辅助是通过有序回归方法协同进行的;接受针对参考协议子集的期望分配形式的偏好信息。从这些信息间接导出的分类模型由加法值函数和阈值向量组成,这些向量将预定义和有序的类分开。该方法提供了一个单一的代表性模型,该模型用于评估标准的相对重要性,通过改进协议评估来识别可能的收益以及对非参考协议进行分类。通过利用与一致分配示例的所有最大子集兼容的所有分类模型的集合,针对鲁棒性分析的结果验证了这种精确的建议。引入的方法可用于有关银纳米颗粒的实际数据。事实证明,它可以有效解决作业示例中的不一致之处,可以容忍序数和基数测量尺度,区分标准间和标准间的吸引力,并提供易于解释的分数和班级分配。这项工作彻底讨论了MCDA在分类模型的协同构建过程中提供的学习见解,区分了问题结构,偏好启发,学习,建模和问题解决阶段。

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