Eissen, Marco and Metzger, Jürgen O. (2019) EATOS. Selbstverlag. (Unpublished)

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Abstract

EATOS is a software program facilitating the determination and comparative depiction of performance metrics of chemical syntheses and synthesis sequences. Most important are mass related metrics such as the process mass index (PMI, denoted as S 1 in the software) and the environmental factor E. Additionally, the atom economy is calculated. This software offers the possibility to integrate qualitative aspects in a quantitative manner. Data concerning health hazards and environmental impacts (life cycle assessment categories such as global warming potential (GWP), toxicity etc. ) are internally transformed to loading factors in the range of 0 to 10 forming – along with mass related metrics – an environmental index (EI). Thus, weighted substance quantities provide a (comparative) overview of specific problems related to one or more syntheses and synthesis sequences, respectively. It has to be clear that this procedure is intended to reveal potential and not necessarily real problems, because normally they are fixed with appropriate technology, e.g. safety technology or recycling and waste treatment procedures. Of course, if emission amounts are known or can be gauged, their consideration can give a better overview of true problems. This will normally not be the case, because EATOS is mainly intended for application in early stages of development. Different scenarios can be considered flexibly and quickly. The information gained can be used to model a proactive and precautious planning. Data of the different impact categories can be combined in order to consider mixed loading factors. However, results of combined impact categories have to be carefully interpreted, since a professional life cycle assessment cannot be performed with EATOS.

Item Type:	Book
Subjects:	Science and mathematics > Chemistry
Divisions:	Faculty of Mathematics and Science > Department of Chemistry (IfC)
Date Deposited:	06 Sep 2019 10:34
Last Modified:	06 Sep 2019 10:34
URI:	https://oops.uni-oldenburg.de/id/eprint/4124
URN:	urn:nbn:de:gbv:715-oops-42051
DOI:
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