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A proposed sustainability index for synthesis plans based on input provenance and output fate: application to academic and industrial synthesis plans for vanillin as a case study
Beilstein Journal of Organic Chemistry ( IF 2.2 ) Pub Date : 2020-09-25 , DOI: 10.3762/bjoc.16.196
John Andraos

This paper describes a sustainability index (SI) as a quantitative measure of “sustainability” applicable to synthesis plans based on the provenance of input materials and energy sources and the fate of output waste products. The index is computed as the root-mean-square average of the following four parameters: mass fraction of valorized inputs (FVI), mass fraction of valorized outputs (FVO), mass fraction of valorized target product (FVP), and input enthalpic energy fraction arising from renewable energy sources (FRE). Valorized input materials originate from renewable, recycled, or reclaimed sources. Valorized output materials are destined for recycling or reclaiming so that they may be used in the same or other chemical processes. Valorized target product refers to that portion of the target product that is actually used for its intended purpose. Renewable energy sources are defined as originating from hydroelectric, wind, solar, geothermal, and biomass sources. The computation of SI is illustrated for 22 synthesis plans of the high commodity flavour ingredient vanillin from biofermentation, chemical synthesis, and solvent extraction processes. In addition, these plans are compared and ranked according to Borda count and poset (partially ordered set) pairwise dominance analyses using the following attributes: process mass intensity (PMI), sacrificial reagent (SR) consumption, input enthalpic energy (IEE) consumption, Rowan solvent greenness index (RSGI), and sustainability index (SI).

中文翻译:

拟议的基于投入来源和产出命运的综合计划可持续性指数:作为案例研究应用于香兰素的学术和工业综合计划

本文描述了一种可持续性指数(SI),它是一种基于输入材料和能源的来源以及产出废物的命运而适用于合成计划的“可持续性”的定量度量。该指数计算为以下四个参数的均方根平均值:增值输入的质量分数(F VI),增值输出的质量分数(F VO),增值目标产品的质量分数(F VP)和可再生能源产生的输入焓能量分数(F RE)。珍贵的输入材料来自可再生,回收或再生的资源。增值后的输出材料将用于回收或回收,以便可以在相同或其他化学过程中使用。增值目标产品是指目标产品中实际用于其预期目的的那部分。可再生能源的定义是源自水力,风能,太阳能,地热和生物质能。通过生物发酵,化学合成和溶剂提取工艺,对高商品风味成分香兰素的22种合成计划进行了SI的计算。此外,这些计划根据Borda计数和poset(部分有序集)的成对优势分析进行比较和排名,并使用以下属性:过程质量强度(PMI),
更新日期:2020-09-25
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