Limited availability of natural resources and rising
raw material cost, accompanied by growing societal and environmental
concerns, urge the engineers to incorporate sustainability issues
into the design of new chemical process and the retrofit of traditional
process. Yet due to the multidimensional nature of sustainability,
as economic, societal, and environmental issues need to be considered
together, a structured sustainability assessment tool is needed to
serve as the basis for any process design, analysis, improvement,
and decision making. This paper presents a methodology to assist reaction
pathway selection in light of sustainability. At this conceptual design
stage, the sustainability performance of different potential reaction
pathways is evaluated, which can not only help the designers improve
the screening efficiency by eliminating inferior reaction alternatives
systematically, but also identify the key areas for further improvement
in future design, thus reducing the complexity and labor in the following
basic engineering design stage. The sustainability of each reaction
pathway is assessed in terms of profit potential, driving force of
the pathway (Gibbs free energy), inherent safety index, potential
environmental index, and atom economy. The efficacy of this approach
is demonstrated by several case studies of reaction routes selection,
including the propylene oxide (PO) production process, carbon dioxide
reduction technology, and cellulosic ethanol production technology.