This work investigated synergies for improved energy efficiency between integrated first- (1G) and second-generation (2G) sugarcane ethanol distillation, an energy-intensive unit operation, especially for stand-alone 2G ethanol. For this investigation, integrated and separated 1G2G distillation simulations were conducted using Aspen Plus v.10 assuming a dilute 2G fermentation beer with titer varying from 5 to 40 g/L. The results were then assessed in heating energy demand savings for distillation, and it was measured the potential of saved bagasse (boiler fuel) for valorization in either electricity or 2G ethanol. A life cycle assessment was also performed for a consequential approach to carbon emission reductions from energy savings. As our main result, distillation integration can maintain the heat demand of a stand-alone 1G mill, regardless of the 2G ethanol beer titer. This means energy savings between 9 and 15% in total ethanol heat demand, and between 46 and 92% in 2G ethanol hea... [more]

Oxidation of arabinose to arabinoic acid is an innovative way to valorize local biomass to a high add value product. Previously done experiments on oxidation of arabinose to arabinoic acid with molecular oxygen were used to determine the optimum reaction conditions, scale-up the process and analyse the techno-economic aspects. These results were utilized to analyse the environmental impact of the scaled-up process during its lifetime using the life cycle assessment (LCA) methodology. SimaPro software combined with the impact assessment method IMPACT 2002+ were applied. The results revealed that heating seems to be the largest contributor to the environmental impact even if the reaction is performed under rather mild conditions (70oC). This highlights the importance of reducing the energy consumption via efficient heat integration.

An intensified approach to ?-valerolactone (GVL) production is achieved using a reactive distillation column. Conventional methods require multiple units, leading to high energy consumption, costs, and limited scalability. The proposed technology integrates reaction and separation into a single unit, enhancing process efficiency for biomass-derived chemicals. A multiobjective optimization framework balances economic, environmental, and operational goals, reducing total annual cost (TAC) by 43% and environmental impact (EI99) by 45% compared to conventional processes. Additionally, energy consumption drops by 63%, while GVL production increases by 25%, highlighting the potential of reactive distillation for improved efficiency and sustainability.

This document is supplementary material for the full paper titled "Flow Simulation of Plastic Life Cycle Considering Carbon Renewability and Environmental Impact," submitted for the ESCAPE 35 conference. It includes a detailed explanation of the system boundary construction method used in the flow analysis, as well as the data sources for information such as the GHG emission intensities, which could not be explained in the main text.

This document contains digital supplementary material (LCA model including parametrized LCI with sources, unit processes and LCA results) related to the article "Integrated LCA and Eco-design Process for Hydrogen Technologies: Case Study of the Solid Oxide Electrolyser" which is submitted to the peer reviewed conference proceeding of the 35th European Symposium on Computer Aided Process Engineering (ESCAPE 35).

The reduction and recovery of organic fraction of municipal solid waste is a major challenge for contemporary society. It requires the establishment of regional strategies with minimized environ-mental impact. This study employs life cycle assessment to evaluate the respective environmental performances of the current French system based on incineration, and those of alternative systems including (i) anaerobic digestion with composting and (ii) composting for biowaste treatment under different energy scenarios. The environmental impacts of Parisian waste are calculated by consid-ering the French energy mix in 2022, the average European energy mix in 2022 and the projected French energy mix for 2030. The results show that the proportion of fossil-based sources in the energy mixes significantly influences the environmental performance of waste management sys-tems. Systems with high fossil-based sources dependency tend to favour incineration-based pro-cessing systems. This is driven by th... [more]

Triacetic acid lactone (TAL) is a bio-privileged molecule with potential as a chemical precursor, traditionally synthesized from petroleum. Current trends are shifting towards the use of renewable biomass or CO2-derived feedstocks to enhance sustainability. However, comprehensive studies on the techno-economic viability and carbon life cycle of such methods are limited. This study assesses TAL production from conventional glucose and a novel approach co-feeding Yarrowia lipolytica (YL) with glucose and formic acid (FA), aiming for a more cost-effective and eco-friendly process. We confront the inherent challenges in this process by exploring different technology scenarios using kinetic bioprocess modeling underpinned by techno-economic analysis (TEA) and life cycle assessment (LCA) to identify the most cost-effective and sustainable routes to TAL production. A noteworthy component of our investigation centers around the prospect of recycling and utilizing the CO2 emitted from the YL bi... [more]

Reverse electrodialysis (RED) is a nascent renewable technology that generates clean, baseload electricity from salinity differences between two water streams, a renewable source known as salinity gradient energy (SGE). Full-scale RED progress calls for robust techno-economic and environmental assessments. Using generalized disjunctive programming (GDP) and life cycle assessment (LCA) principles, this work proposes cost-optimal and sustainable RED process designs involving different RED stack sizes and width-over-length ratios to guide the design and operation from the demonstration to full-scale phases. Results indicate that RED units will benefit from larger aspect ratios with a relative increase in net power of over 30% with 6 m2 membrane size. Commercial RED unit sizes (0.25–3 m2) require larger aspect ratios to reach an equal relative increase in net power but exhibit higher power densities. The GDP model devises profitable RED process designs for all the assessed aspect ratios in... [more]

Most studies in process systems engineering are applying incomplete methods when incorporating sustainability. Including sustainability is a laudable goal, and practitioners are encouraged to develop systems that promote economic, environmental, and social aspects. Ten methods that are often overlooked in performing sustainable process systems engineering are listed in this effort and discussed in detail. Practitioners are encouraged to create designs that are inherently safer, to be more complete in their identification of process chemicals used and released, to be complete in their definitions of supply chains, and to apply additional environmental impact categories. Other methods point to items that are factors in process systems engineering such as disruptive recycling, robust superstructures for optimizations, and employing complete sets of objectives. Finally, users should be aware that sustainability tools are available, which might have been outside of their awareness.

Plastic packaging plays a fundamental role in the food industry, avoiding food waste and facilitating food access. The increasing plastic production and the lack of appropriate plastic waste management technologies represent a threat to the environmental and human welfare. Therefore, there is an urgent need to identify sustainable packaging solutions. Circular economy (CE) promotes reducing waste and increasing recycling practices to achieve sustainability. In this work, we propose a CE framework based on multi-objective optimization, considering both economic and environmental impacts, to identify optimal packaging designs and waste management technologies. Using mixed-integer linear programming (MILP), techno-economic analysis (TEA), and life cycle assessment (LCA), this work aims to build the first steps in packaging design, informing about the best packaging alternatives and the optimal technology or technologies to process packaging waste. For the economic analysis, we consider th... [more]

Multilayer plastic films are widely used in packaging applications because of their unique properties. These materials combine several layers of different polymers to protect food and pharmaceuticals from external factors such as oxygen, water, temperature, and light. Unfortunately, this design complexity also hinders the use of traditional recycling methods, such as mechanical recycling. Solvent-based separation processes are a promising alternative to recover high-quality pure polymers from multilayer film waste. One such process is the Solvent-Targeted Recovery and Precipitation (STRAPTM) process, which uses sequential solvent washes to selectively dissolve and separate the constituent components of multilayer films. The STRAPTM process design (separation sequence, solvents, operating conditions) changes significantly depending on the design of the multilayer film (the number of layers and types of polymers). Quantifying the economic and environmental benefits of alternative process... [more]

Achieving worldwide sustainable development is a practical challenge that demands an efficient management of resources across their entire value chains. This practical task requires the optimal selection of pathways for extracting, processing, and transporting resources to meet the demands in different geographic regions at minimal economic cost and environmental impact. This work addresses the challenge by proposing a systematic framework for designing resource-processing networks that can be applied to resource management problems. The framework considers the integration and resource exchange within and across multiple processing clusters. It allows for the life cycle assessment of the environmental and economic impacts of the defined value chains, and design accordingly the different processing and transport systems from extraction to final use. The proposed representation and optimization model are demonstrated in a case study to assess the impact of energy transition under decarbo... [more]

This paper introduces a computational framework for selecting green solvents to separate multilayer plastic films, particularly those challenging to recycle through mechanical means. The framework prioritizes the selective dissolution of polymers while considering solvent toxicity. Initial screening relies on temperature-solubility dependence, utilizing octanol-water partition coefficients (LogP) to identify non-toxic solvents (LogP = 3). Additionally, guidelines from GlaxoSmithKline (GSK), Registration, Evaluation, Authorization, and Restriction of Chemical Regulation (REACH), and the US Environmental Protection Agency (EPA) are employed to screen for green solvents. Molecular-scale models predict temperature-dependent solubilities and LogP values for polymers and solvents. The framework is applied to identify green solvents for separating a multilayer plastic film composed of polyethylene (PE), ethylene vinyl alcohol (EVOH), and polyethylene terephthalate (PET). The case study demons... [more]

Biorefineries can reduce carbon dioxide emissions while serving the global chemical demand market. Governments are also using carbon pricing policies, such as carbon taxes, cap-and-trade models, and carbon caps, as a strategy to reduce emissions. The use of biomass feedstocks in conjunction with carbon capture usage and storage technologies are mitigation strategies for global warming. Businesses can invest in these technologies to accommodate the adoption of these policies. Rapid action is necessary to halt global warming, which results in aggressive policies. In this work, a multi-period process design and planning problem is developed for the design and capacity expansion of biorefineries. The three carbon pricing policies are integrated into the model and parameters are selected according to the aggressive scenario denoted by the Paris Agreement. The results show that the cap-and-trade policy achieves a higher net present value evaluation over the carbon tax model across all pareto... [more]

Increases in population and improvements in living standards have significantly increased the demand for animal products worldwide. However, modern livestock agriculture exerts significant pressure on the environment due to high material and energy requirements. These systems also generate significant amounts of waste that can cause severe environmental damage when not handled properly. Thus, if we wish to enable farmers to meet this increased demand in a sustainable way, technology pathways must be developed to convert livestock agriculture into a more circular economy. With this end in mind, we propose a novel framework (which we call ReNuAl) for the recovery of nutrients from livestock waste. ReNuAl integrates existing technologies with a novel biotechnology approach that uses cyanobacteria (CB) as a multi-functional component for nutrient capture and balancing, purifying biogas, and capturing carbon. The CB can be applied to crops, reducing the need for synthetic fertilizers like d... [more]

2,3 butanediol (BDO) has garnered recent interest due to the high titer concentrations that can be obtained through biochemical routes and its potential for efficient conversion into long-chain hydrocarbons. BDO separation, however, is challenging given its low volatility and high affinity towards water. In this study, two BDO separation pathways were compared, single distillation and combined simulated moving bed (SMB) adsorption with distillation. The separations were incorporated into a 2018 biorefinery design developed by the National Renewable Energy Laboratory (NREL) to produce renewable fuels from corn stover, with BDO as an intermediate and adipic acid as the co-product. The comparison was performed on the basis of sustainability, using lifecycle greenhouse gas (GHG) emissions as the metric. It was found that using a single distillation column gives GHG emissions of 48 gCO2e/MJ for the renewable fuel. This is lower than 93 gCO2e/MJ for petroleum fuel but is higher compared to t... [more]

Initial design stages are inherently complex and often lack comprehensive information, posing challenges in evaluating sustainability metrics. Machine Learning (ML) emerges as a valuable solution to address these challenges. ML algorithms, particularly effective in predicting environmental impacts of new chemicals with limited data, enable more informed decisions in sustainable design. This study focuses on employing ML for predicting the environmental impacts related to human health, ecosystem quality, climate change, and resource utilization to aid in early-stage environmental impact assessment of chemical processes. The effectiveness of the ML algorithm, eXtreme Gradient Boosting (XGBoost) tested using a dataset of 350 points, divided into training, testing, and validation sets. The study also includes a practical application of the model in a cradle-to-cradle LCA of N-Methylpyrrolidone (NMP), demonstrating its utility in sustainable chemical process design. This approach signifies... [more]

The transition to net-zero greenhouse gas emissions requires a rapid redesign of energy systems. However, the redesign may shift environmental impacts to other categories than climate change. To assess the sustainability of the resulting impacts, the planetary boundaries framework provides absolute limits for environmental sustainability. This study uses the planetary boundaries framework to assess net-zero sector-coupled energy system designs for absolute environmental sustainability. Considering Germany as a case study, we extend the common focus on climate change in sustainable energy system design to seven additional Earth-system processes crucial for maintaining conditions favorable to human well-being. Our assessment reveals that transitioning to net-zero greenhouse gas emissions reduces many environmental impacts but is not equivalent to sustainability, as all net-zero designs transgress at least one planetary boundary. However, the environmental impacts vary substantially betwe... [more]

Sustainability and circular economy enclose initiatives to achieve economic systems and industrial value chains by improving resource use, productivity, reuse, recycling, pollution prevention, and minimizing disposed material. However, shifting from the traditional linear economic production system to a circular economy is challenging. One of the most significant hurdles is the absence of sustainable end-of-life (EoL)/manufacturing loops for recycling and recovering material while minimizing negative impacts on human health and the environment. Overcoming these challenges is critical in returning materials to upstream life cycle stage facilities such as manufacturing. Chemical flow analysis (CFA), sustainability evaluation, and process systems engineering (PSE) can supply chemical products and processes performances from environmental, economic, material efficiency, energy footprint, and technology perspectives. These holistic evaluation techniques can improve productivity, source mate... [more]

Sustainability of the chemical and materials industry (CMI) requires it to achieve net-zero emis-sions of greenhouse gases and other resources while making decisions that have a net-positive impact on nature and society. Many corporations, nations, and universities have pledged to meet such goals but systematic models, methods, and tools to guide this transition are missing. We pre-sent a framework to meet this need. It involves developing a comprehensive, open access model of the global CMI. In addition to existing technologies, this model includes emerging alternatives for renewable energy, circularization, and carbon capture, utilization and storage. Systematic methods help identify innovation opportunities and develop roadmaps that account for long-term changes such as technology evolution and climate change. Meeting the goal of net-zero emis-sions requires inclusion of life cycle impacts. Nature-positive decisions need to encourage eco-logical protection and restoration. Thi... [more]

This work investigates the water impact of carbon capture technologies employed in coal and natural gas power generation, viz. integrated gasification combined cycle, oxy-fuel combustion, solid oxide fuel cells and post-combustion solvent-based. The Water Impact per CO2 Avoided (WICa) metric was developed to understand the tradeoff between water usage and global warming potential, and additionally as a decision-making tool. It relates the impact on available water resources to greenhouse gas reduction over the cradle-to-plant-exit lifecycle by leveraging existing metrics, including the Water Impact Index (WII), water withdrawal, water consumption, water quality, and Water Scarcity Index (WSI). The results show that some carbon capture technologies increase the overall water usage of power generation plants, thereby increasing the water impact per CO2 avoided. Solid oxide fuel cells and oxy-fuel technology, though not mature in comparison to post-combustion capture, have the least water... [more]

The steel industry in China, the world’s largest, contributes to about 15% of the nation’s total carbon emissions. Instead of direct combustion, the technology of converting off-gas from the steel industry into liquid fuels not only enhances the added value of this byproduct but also helps alleviate carbon emissions. This study, for the first time, integrates the specific circumstances of China to evaluate the carbon emissions of Ethanol to Jet (ETJ) and Fischer−Tropsch to Jet (FTJ) fuel technologies utilizing Basic Oxygen Furnace Gas (BOFG) and Coke Oven Gas (COG) as feedstocks. Six cases were examined using Aspen Plus (V11) for mass and energy balance: Case 1: BOFG/ETJ, Case 2: BOFG/FTJ, Case 3: COG/ETJ, Case 4: COG/FTJ, Case 5: (COG + BOFG)/ETJ, and Case 6: (COG + BOFG)/FTJ. The analysis underscores that the FTJ pathway exhibits superior carbon reduction efficiency relative to ETJ. Compared to traditional petroleum-based aviation fuels (86.65 g CO2eq/MJ), the FTJ pathways utilizing... [more]

Life cycle assessment (LCA) is used to evaluate the environmental load of fibre composite manufacturing technologies in the shipyards industry in a frame of the Fibre4Yards (Horizon 2020) project. This paper is focused on the LCA of fibre-reinforced polymer (FRP) technologies used to produce all elements of the floating unit, i.e., the conventional vacuum infusion technology for the deck panel and adaptive mould process for superstructure panels, ultraviolet (UV) curved pultrusion process for the production of stiffeners, hot stamping technology for brackets, and three-dimensional (3D) printing and automatic tape placement (ATP) for pillars. Environmental impact was assessed based on standard indicators: Global Warming Potential, water consumption, and fossil resource scarcity. The results indicate that the total carbon footprint of analysed FRP technologies is mainly produced by the type of the materials applied rather than by the amount of energy consumed during the process.

Sustainable product development requires combining aspects, including quality and environmental. This is a difficult task to accomplish. Therefore, procedures are being sought to combine these aspects in the process of product improvement. Therefore, the objective of the investigation was to develop a procedure that supports the integration of quality-level indicators and life-cycle assessment (LCA) to determine the direction of product improvement. The procedure involves determining the quality indicators based on the expectations of the customer, which are subsequently processed using the formalised scoring method (PS). A life-cycle assessment index is determined for the main environmental impact criterion. According to the proposed mathematical model, these indicators are aggregated, and this process takes into account their importance in terms of product usefulness and environmental friendliness. Interpretations of the results and the direction of product improvement are from the r... [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]