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Computer-aided design of optimal environmentally benign solvent-based adhesive products

机译:最佳的环境友好型溶剂型胶粘剂产品的计算机辅助设计

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摘要

The manufacture of improved adhesive products that meet specified target properties has attracted increasing interest over the last decades. In this work, a general systematic methodology for the design of optimal adhesive products with low environmental impact is presented. The proposed approach integrates computer-aided design tools and Generalised Disjunctive Programming (GDP), a logic-based framework, to formulate and solve the product design problem. Key design decisions in product design (i.e., how many components should be included in the final product, which active ingredients and solvent compounds should be used and in what proportions) are optimised simultaneously. This methodology is applied to the design of solvent-based acrylic adhesives, which are commonly used in construction. First, optimal product formulations are determined with the aim to minimize toxicity. This reveals that number of components in the product formulation does not correlate with performance and that high performance can be achieved by investigating different number of components as well as by optimising all ingredients simultaneously rather than sequentially. The relation between two competing objectives (product toxicity and concentration of the active ingredient) is then explored by obtaining a set of Pareto optimal solutions. This leads to significant trade-offs and large areas of discontinuity driven by discrete changes in the list of optimal ingredients in the product. (C) 2019 Elsevier Ltd. All rights reserved.
机译:在过去的几十年中,满足特定目标性能的改进粘合剂产品的制造引起了越来越多的兴趣。在这项工作中,提出了一种对环境影响较小的最佳粘合剂产品设计的通用系统方法。所提出的方法将计算机辅助设计工具与基于逻辑的框架通用分类编程(GDP)集成在一起,以制定和解决产品设计问题。同时优化产品设计中的关键设计决策(即,最终产品中应包含多少个组件,应使用哪些活性成分和溶剂化合物以及比例如何)。该方法学应用于建筑中常用的溶剂型丙烯酸粘合剂的设计。首先,确定最佳产品配方,以最大程度地减少毒性。这表明产品配方中的成分数量与性能不相关,并且可以通过研究不同数量的成分以及通过同时而不是依次优化所有成分来实现高性能。然后通过获得一组帕累托最优解来探索两个竞争目标(产品毒性和活性成分浓度)之间的关系。由于产品中最佳成分列表的离散变化,这导致了重大的取舍和大面积的不连续性。 (C)2019 Elsevier Ltd.保留所有权利。

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