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.

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]

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]

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]

In this article, a thermodynamic, exergy, and environmental impact assessment was carried out on a Brayton S-CO2 cycle coupled with an organic Rankine cycle (ORC) as a bottoming cycle to evaluate performance parameters and potential environmental impacts of the combined system. The performance variables studied were the net power, thermal and exergetic efficiency, and the brake-specific fuel consumption (BSFC) as a function of the variation in turbine inlet temperature (TIT) and high pressure (PHIGH), which are relevant operation parameters from the Brayton S-CO2 cycle. The results showed that the main turbine (T1) and secondary turbine (T2) of the Brayton S-CO2 cycle presented higher exergetic efficiencies (97%), and a better thermal and exergetic behavior compared to the other components of the System. Concerning exergy destruction, it was found that the heat exchangers of the system presented the highest exergy destruction as a consequence of the large mean temperature difference be... [more]

In the last twenty years, research activity around the environmental applications of metal−organic frameworks has bloomed due to their CO2 capture ability, tunable properties, porosity, and well-defined crystalline structure. Thus, hundreds of MOFs have been developed. However, the impact of their production on the environment has not been investigated as thoroughly as their potential applications. In this work, the environmental performance of various synthetic routes of MOF nanoparticles, in particular ZIF-8, is assessed through a life cycle assessment. For this purpose, five representative synthesis routes were considered, and synthesis data were obtained based on available literature. The synthesis included different solvents (de-ionized water, methanol, dimethylformamide) as well as different synthetic steps (i.e., hours of drying, stirring, precursor). The findings revealed that the main environmental weak points identified during production were: (a) the use of dimethylformamide... [more]

Fossil fuel vehicles, emitting air toxics into the atmosphere, impose a heavy burden on the economy through additional health care expenses and ecological degradation. Air pollution is responsible for millions of deaths and chronic and acute health problems every year, such as asthma and chronic obstructive pulmonary disease. The fossil-fuel-based transportation system releases tons of toxic gases into the atmosphere putting human health at risk, especially in urban areas. This analysis aims to determine the economic burden of environmental and health impacts caused by Highway 401 traffic. Due to the high volume of vehicles driving on the Toronto Highway 401 corridor, there is an annual release of 3771 tonnes of carbon dioxide equivalent (CO2e). These emissions are mainly emitted onsite through the combustion of gasoline and diesel fuel. The integration of electric and hydrogen vehicles shows maximum reductions of 405−476 g CO2e per vehicle-kilometer. Besides these carbon dioxide emiss... [more]

To meet climate change challenges, the UK government is aiming to reach zero emissions by 2050. The heavy-duty transportation sector contributes 17% to the UKs total emissions, so to combat this, alternative power units to traditional fossil fuel-reliant internal combustion engines (ICEs) are being utilized and investigated. Hydrogen fuel cells are a key area of interest to try and reduce these transportation emissions. To gain a true view of the impact that hydrogen fuel cells can have, this study looks at the impact the manufacturing of a fuel cell has upon the environment, from material extraction through to the usage phase. This was done through the use of a lifecycle assessment following ISO 14040 standards, with hydrogen systems being compared to alternative systems. This study has found that whilst fuel cells depend upon energy intensive materials for their construction, it is possible to reduce emissions by 34−87% compared to ICE systems, depending upon the source of hydrogen u... [more]

While the production costs and logistical benefits of biomass pelleting have been widely discussed in the literature, the downstream economic and environmental benefits of processing pelleted biomass have been largely neglected. To investigate those benefits, we performed a comparative techno-economic analysis and life cycle assessment of producing ethanol using loose and pelleted forms of biomass. Analyses of a 2000 metric tons (dry)/d biorefinery showed that using pelleted biomass is more economical than using loose or baled biomass. The lowest minimum ethanol selling price (MESP) for pelleted biomass was USD 0.58/gal less than the lowest MESP for loose biomass. Among all processing conditions analyzed, MESP for ethanol produced with pelleted biomass was always lower than when produced with loose biomass. Shorter pretreatment and hydrolysis times, higher pretreatment solids loadings, lower ammonia requirements, and reduced enzyme loadings were the primary factors contributing to lowe... [more]

Cellulosic biorefineries have attracted interest due to the growing energy security and environmental concerns related to fossil fuel-based energy and chemicals. Using pelleted biomass as a biorefinery feedstock can reduce their processing inputs while improving biomass handling and transportation. However, it is still questionable whether energy and emission savings from feedstock transportation and processing can justify pelletization. A life cycle assessment approach was used to compare energy consumption and greenhouse gas (GHG) emissions from pelleted and non-pelleted corn stover as a biorefinery feedstock. Operations considered were pelleting, transportation, and soaking in aqueous ammonia (SAA) pretreatment. Despite greater GHG emissions (up to 25 times higher than the transportation) generated from the pelleting process, the model showed a significant opportunity to offset and even reduce overall GHG emissions considering the pretreatment process benefits. Our process energy an... [more]

Greenhouse gas (GHG) emissions related to the Farnsworth Unit’s (FWU) carbon dioxide enhanced oil recovery (CO2-EOR) operations were accounted for through a gate-to-gate life cycle assessment (LCA) for a period of about 10 years, since start of injection to 2020, and predictions of 18 additional years of the CO2-EOR operation were made. The CO2 source for the FWU project has been 100% anthropogenically derived from the exhaust of an ethanol plant and a fertilizer plant. A cumulative amount of 5.25 × 106 tonnes of oil has been recovered through the injection of 1.64 × 106 tonnes of purchased CO2, of which 92% was stored during the 10-year period. An LCA analysis conducted on the various unit emissions of the FWU process yielded a net negative (positive storage) of 1.31 × 106 tonnes of CO2 equivalent, representing 79% of purchased CO2. An optimized 18-year forecasted analysis estimated 86% storage of the forecasted 3.21 × 106 tonnes of purchased CO2 with an equivalent 2.90 × 106 tonnes o... [more]