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Metrics of Green Chemistry and Sustainability

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Metrics of Green Chemistry and Sustainability ( metrics-green-chemistry-and-sustainability )

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ACS Sustainable Chemistry & Engineering Perspective eight core GSK sustainability metrics impact categories (Table 3). After consolidating the metrics for the eight impact categories, processes are given a score of 1 (bad) to 5 (good), and a simple color-coding system is used to flag differences in scores. A “green” rating is given to processes with a score of greater than 4 and corresponds to, for example, a LCA mass and energy impact of less than 25% of that of the benchmark. A yellow rating is given for a score of 2−4 and red for less than 2. Further refinement of streamlined, easy-to-use LCA methodologies for measuring the greenness of chemicals manufacture remains a top priority, and the evolution of LCA in pharmaceutical and chemical applications was recently reviewed.84 More recently, Isoni and co-workers85 developed an interesting LCA-based methodology for use in solvent selection during early process development of an API. Quick Sustainability Assessment via Experimental Solvent Selection (Q-SA√ESS) is a three-stage LCA approach in which the full cradle-to-grave life cycle of a solvent is evaluated. In stage 1, the origin and production of 1 kg of each of the 10 different solvents were evaluated. This involved the use of metrics that reflect their impact on the environment (carbon footprint, acidification potential, and eutrophication potential), human health (toxicity levels), and costs (total energy required and kg API produced per batch). Manufacture from both fossil and renewable biomass feedstocks were also compared. This afforded a mini cradle-to-gate database for the 10 solvents studied. Stage 2 involved the collection of mass and energy balance data pertaining to the process in which the solvent is used. This also included the mass and type of solvent(s) used to clean the reactor before and after each operation. In stage 3, end-of-use treatment is evaluated. In general, this involves recover and reuse, most commonly by distillation, or disposal by incineration. The methodology was designed to evaluate solvents in the process development stage where the chemistry has been selected but final decisions have to be made before proceeding to pilot-plant production. It was developed as an Excel spread sheet in which a decision-making table is automatically generated. Various companies have developed methods for assessing the environmental footprint of their processes based on their own specific goals and needs. For example, Chimex, a subsidiary of L’Oreal that produces primarily cosmetic ingredients, intro- duced Eco-footprint, a new tool for assessing their processes.86 The Eco-footprint covers the supply chain from the supplier’s gate to the product leaving the Chimex gate and consists of a manufacturing footprint and an eco-design footprint (Table 4). The manufacturing footprint is based on five indicators: water footprint, carbon footprint of the transportation of raw materials from their manufacturing sites to Chimex plants, aqueous waste valorization, used solvents valorization, and energy consumption. The eco-design footprint also consists of five indicators: the E factor of the process, synthetic pathway efficiency which combines the number of steps with yields, raw materials of renewable origin, and potential environmental impacts of raw materials and waste. The latter two indicators are intended to represent the unfriendliness quotient, Q, that the authors renamed the hazard quotient. Presumably, inspired by the EATOS methodology (see above) the authors developed their own calculation tool, taking only toxicological and eco- toxicological parameters that are mandatory in REACH material safety data sheets (MSDS)87 into account, to determine the potential environmental impacts of raw materials input and waste output. This comprised the following five criteria: chronic and human toxicity, acute eco-toxicology, bioaccumulation, and biodegradability based on data extracted from supplier MSDS or the European Chemical Agency (ECHA) Web site.88 Each of the 10 indicators is assigned a score on a scale of 1 to 4 where the larger the environmental impact is the higher the score. Similarly, Phan and co-workers89 at the flavor and fragrance company, Mane, introduced Green Motion as a gate-to-gate green metric tool to evaluate the efficiency and health, safety, and environmental impacts of their manufacturing processes on a 0−100 scale. Their starting point was to group the 12 Principles of Green Chemistry into seven fundamental concepts as shown in Table 5. Penalty points are then allocated within each category based on well-defined criteria, such as renewable or synthetic origin of raw materials, yield, number of steps and solvents in the process, and amount of waste as expressed by the E factor. The E factor was favored over PMI because it fitted better with the objective of zero points for an E factor equal to zero.89 For a given criterion, the higher the impact on health, safety, or environment is, the higher the number of penalty points is. Interestingly, the hazard and toxicity ratings are based on the hierarchy of GHS pictograms used on labels and safety data sheets to denote various hazards and toxicity. The method was used to rate more than a thousand products in 12 months, thus building a useful database for further benchmarking, and each new product which is scaled up and transferred into production is rated. The authors concluded that GREEN MOTION is a simple and quantitative method and noted that a full assessment can be made in only half an hour. Allocation of penalty points was arbitrary by definition, but the authors noted that they were carefully cross checked and are well suited to the evaluation of flavor and fragrance ingredients. Clearly, full-scale cradle-to-grave or cradle-to-cradle LCAs are useful for comparing products and processes which have already been commercialized, but conducting a full scale LCA in the design or development phase is generally too difficult and time consuming. In the final analysis, an assessment of the “greenness” of a process or product requires a multivariate approach that includes impacts across all the different metrics. However, the assessment tools for process industries can be simplified by splitting the system boundaries into two domains: the raw materials production and supply domain and the gate- to-gate manufacturing domain.90 Integration of mass-based green metrics with LCA affords an extremely useful tool for evaluating the environmental impact of processes for the manufacture of bulk and fine chemicals, DOI: 10.1021/acssuschemeng.7b03505 ACS Sustainable Chem. Eng. XXXX, XXX, XXX−XXX Table 4. Eco-Footprint Metrics Manufacturing Footprint Carbon footprint Water footprint Aqueous waste valorization Used solvents valorization Energy consumption Eco-Design Footprint E factor of the process Synthetic pathway efficiency Raw materials of renewable origin Environmental impacts of raw materials Environmental impacts of waste I

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