Mechanochemical methods are currently under investigation
as alternative
approaches to conventional solvent-batch synthetic chemistry. Environmental
life cycle assessment (LCA) is needed to evaluate and compare chemical
products made through mechanochemical processes with those from conventional
production routes, using “cradle-to-gate” system boundaries.
However, chemical supply chains involved in product manufacturing
are often unknown, and synthesis tracing of these chemicals is needed
to create life cycle environmental profiles. Herein, we trace the
synthesis of the chemicals required to produce Pigment Black 31, a
perylene diimide (PDI) organic dye, based on two main principles:
maximum reaction yield and minimum synthetic steps. This approach
facilitates comparing the environmental life cycle impact of producing
Pigment Black 31 via twin-screw extrusion (TSE) with a conventional
solvent-batch process, wherein similar reactants are used in both
systems. The production of Pigment Black 31 via the TSE process affords
a roughly order-of-magnitude reduction across global warming and human
and ecological health life cycle environmental impacts following ReCiPe
2016 methods, mainly due to solvent reduction and elimination compared
with production via the solvent-batch process. Interestingly, this
reduction is found despite the need for a methanol extraction step
in the purification of Pigment Black 31 made by TSE. We conclude that
while LCA data sets may not be available for other organic dyes produced
similarly through TSE processes, the life cycle environmental impacts
for Pigment Black 31 can be used to approximate those of similar organic
dyes, such as Pigment Black 32.