Environmental sustainability is increasingly recognized as a critical consideration in pharmaceutical development, yet it is rarely incorporated at the scale of molecular-level design. This study introduces a strategy to predict cradle-to-gate indicators that can be flexibly incorporated into multiple early-stage molecular prioritization scenarios. A dataset of 150 pharmaceutical-relevant molecules was compiled, with each molecule described by structural descriptors, thermophysical properties, and ReCiPe endpoint indicators representing human health, ecosystem quality, and resource scarcity. A dual-branch multi-task model combining graph-based and descriptor-based representations was trained to predict these three endpoint indicators. Model performance was evaluated through validation metrics, local sensitivity analysis, and SHAP-based interpretability. A case study with solubility-based feasibility constraints was then used to illustrate how different sustainability weighting schemes... [more]

The increasing deployment of lithium-ion batteries (LIBs) requires effective recycling strategies to reduce environmental impacts and dependence on critical raw materials. In this study, a comparative life cycle assessment (LCA) of two LIB recycling routes, a pyrometallurgical process (Pyro) and a hydrometallurgical process with co-precipitation (Hydro), was performed using a Python-based process modeling framework. The LCA was carried out using an attributional approach, with impacts referred to 1 kg of spent LIBs treated at the recycling facility inlet, considering a representative mix of battery formats and cathode chemistries. Results showed that, when normalized per kilogram of treated batteries, the Hydro route is more impactful than the Pyro one, particularly in terms of global warming potential. The Pyro process does not enable direct cathode regeneration but allows the recovery of high-purity metal salts, whereas the Hydro route enables the production of re-formed NMC-111 cath... [more]

The biopharmaceutical sector has traditionally focused on cost-efficient process design and capacity planning to meet rising demand. Recently, sustainability pressures have increased, driving efforts to reduce the environmental footprint of manufacturing and supply chains; however, strict quality and sterilization requirements can limit the implementation of fully circular resource-use strategies. In this space, adopting an industrial-cluster systems view could unlock opportunities to improve sustainability of industrial clusters through coordinated material and energy exchange, supporting resource efficiency at cluster level and still meet sector-specific quality/sterilization requirements. In this work, we present life cycle assessment (LCA)-based comparative analyses to investigate the potential of industrial symbiosis within monoclonal antibody (mAb) manufacturing, whereby LCA process models are based on comprehensive techno-economic analyses that quantify resource inputs and waste... [more]

The development of sustainable biofuels can help to reduce the reliance on fossil fuels and mitigate the impact of climate change. This study analyzes bioethanol production from agro-forestry residual biomass, namely eucalyptus residues and corn stover. The study includes process simulation using Aspen Plus software, followed by economic analysis and life cycle assessment (LCA) with the help of SimaPro software and by applying the environmental footprint (EF) 3.0 method. The economic analysis on the biorefinery’s economic viability, equipment, and production costs reveals a positive decision for bioethanol production from eucalyptus residues due to logistical and transportation costs. The minimum ethanol selling price (MESP) obtained was 2.19 €/L and 2.45 €/L for eucalyptus residues and corn stover, respectively. From the LCA with a functional unit of 1 MJ of ethanol, bioethanol production from eucalyptus residues results in a single score impact of 37.86 µPt, whereas for corn stover,... [more]

Heat pumps are increasingly seen as efficient and cost-effective heating systems also in industrial applications. They can drastically reduce the carbon footprint of heating by utilizing waste heat and renewable electricity. Recent research on Stirling cycle-based very high temperature heat pumps is motivated by their promising role in addressing global environmental and energy-related challenges. Evaluating the environmental footprint of a heat pump is not easy, and the impacts of Stirling cycle-based heat pumps, with a relatively high temperature lift have received little attention. In this work, the environmental footprint of a Stirling cycle-based very high temperature heat pump is evaluated using a “cradle to grave” LCA approach. The results for 15 years of use (including manufacturing phase, operation phase, and decommissioning) of a 500-kW heat output rate system are compared with those of natural gas- and oil-fired boilers. It is found that, for the Stirling cycle-based HP, the... [more]

Are small-scale wind turbines green? In this study, we perform a ‘cradle to grave’ life cycle assessment of a novel domestic-scale 10 kW vertical axis wind turbine tree which uses combined Savonius and H-Darrieus blades. Situated at a test site in Surat Thani, Thailand, SimaPro software was used to evaluate the environmental impact profile of the tree. Comparisons to the Thai grid mix were made, using both with and without end-of-life treatments. Impact profiles were calculated using wind data collected over two years at Surat Thani, and from wind data from a higher capacity factor (CF) site at Chiang Mai, Thailand. Energy and greenhouse gas payback times were estimated for both locations. The relative magnitudes of impacts were compared with environmental prices protocol, and we investigated reductions in impacts using three mitigative scenarios: changes to design, transportation and materials. The results showed that Chiang Mai had a CF = 7.58% and Surat Thani had a CF = 1.68%. A tot... [more]

In this study, cradle-to-product life cycle analyses were conducted for a variety of natural-gas-based and coal-based SOFC power plant conceptual designs, while also accounting for long-term SOFC degradation. For each type of plant, four base case designs were considered: a standalone SOFC plant, a standalone SOFC plant with a steam cycle, an SOFC/GT hybrid plant, and an SOFC/GT hybrid plant with a steam cycle. The boundary of each base case was subsequently expanded to include either wet cooling or dry cooling options and DC to AC conversion, and was subjected to additional cradle-to-product life cycle analyses. The environmental impact results were computed using ReCiPe 2016 (H) and TRACI 2.1 V1.05 in SimaPro. The main factors affecting the midpoint impacts between cases were the plant efficiency and total SOFC manufacturing required over the plant’s lifetime, which were both strongly connected to long-term degradation effects. The findings also showed that the standalone SOFC plant... [more]

This is a submission of source file of the life cycle analysis of steel manufacturing off-gas utilization systems using SimaPro V9. It includes five locations: Ontario, the USA, Finland, Mexico, and China.