The development of Carbon Capture, Transport, and Storage (CCTS) and hydrogen pipeline networks is crucial for achieving deep decarbonisation in industrial sectors. However, existing network design models often assume perfect foresight, limiting their applicability to real-world infrastructure planning, which is inherently uncertain and iterative. This study introduces a novel rolling-horizon methodology for pipeline network expansion, leveraging a genetic algorithm-based approach that allows for adaptive routing and incremental infrastructure development. By comparing rolling-horizon designs to 2050-optimised networks in a case study of the Humber region in the UK, the analysis highlights the trade-offs between adaptability and cost efficiency. Results indicate that while rolling-horizon approaches better reflect real-world decision-making, they also introduce inefficiencies, increasing capital expenditures by approximately 8% for both hydrogen and CCTS infrastructure. Additionally, t... [more]

The integration of carbon capture and storage (CCS) into coal and biomass co-firing systems (CBCCS) offers a promising solution for reducing carbon emissions in electricity generation. This study evaluates hypothetical scenarios in Malaysia and Indonesia, focusing on techno-economic-environmental transparency. The analysis shows a negligible change in plant net efficiency (~1%) across biomass co-firing ratios of 5-20% in both countries. The capture penalty increases at higher biomass ratios, particularly at 20% co-firing, due to higher auxiliary power demands and steam extraction. As biomass share increases, net CO2 emissions decrease by an average of 43% in Malaysia and 34% in Indonesia. Economic evaluations show a positive revenue increase for Malaysia at a 20% co-firing ratio, while Indonesia faces a revenue deficit (0.6%) under the same condition, mainly due to an unattractive carbon price and feed-in tariff from 2027 onward. Malaysia faces a higher risk of stranded assets due to e... [more]

In this work, a Claus reaction furnace was analyzed in a sulfur recovery unit (SRU) of the Abadan Oil Refinery where the combustion operating temperature is important since it ensures optimal performance in the reactor, this study focused on temperature of control of 1400, 1500 and 1600 K and excess air of 10, 20 and 30% to improve the reaction yield and H2S conversion. The CFD simulation was carried out in Ansys Fluent in transitory state and in 3 dimensions, considering turbulence model ? -e standard, energy model with transport by convention and mass transport with chemical reaction using the Arrhenius Finite – rate/Eddy dissipation model for a Kinetic model of destruction of acid gases H2S and CO2, obtaining a good approximation with experimental results of industrial process of the Abadan Oil Refinery, Iran. The percentage difference between experimental and simulated results varies between 0.5 to 5 % depending on species. The temperature of 1600 K and with excess air of 30% was t... [more]

Despite the potential of electrification in transportation, diesel will remain one of the main fuels for decades. The replacement of diesel with biodiesel is one of the solutions to decrease the net emissions of diesel engines. However, biodiesel has limited performance in cold weather and requires fuel additives. In this context, choosing additives from non-edible, inexpensive, renewable sources is important. Ethyl levulinate, an ester derived from levulinic acid that can be produced from sugarcane, is a promising option because it improves the cold-flow properties of fuels and reduces soot emissions. In this work, a reactive distillation column was designed to produce ethyl levulinate. Because of the volatility order of the components involved in this reaction, levulinic acid was chosen as the excess reactant. Production cost was calculated based on ethanol price, capital cost, and operating expenses for several scenarios. The results showed that the optimized reactive distillation c... [more]

This work develops process options using a novel protonic membrane reformer (PMR) and liquefaction-based CO2 capture process for low-carbon hydrogen production from natural gas. Several hybrid concepts of the PMR and liquefaction process are suggested based on the strategies to handle the residual gas from the reformer. The process intensification and optimization results indicate that the hybrid system with a water-gas-shift reactor and off-gas recycling guarantees high H2 and CO2 recovery rates for the PMR operating at relatively low H2 recovery. The hybrid concept also has 74% energy conversion efficiency, which is higher than a conventional steam-methane reforming (SMR)-based H2 production with chemical absorption CO2 capture.

The rising levels of carbon dioxide (CO2) in the atmosphere significantly contribute to climate change, highlighting the need for effective CO2 mitigation strategies. While capturing and storing CO2 is important, converting it into useful products offers additional environmental and economic benefits. One promising method is the reverse water gas shift (RWGS) reaction, which transforms CO2 into carbon monoxide (CO). Membrane reactors (MR), which integrate selective membranes with equilibrium limited chemical reactions, have the potential to intensify processes based on the RWGS reaction. In such reactors, by-products like water are removed in-situ from the reaction zone, effectively shifting the reaction equilibrium to favor higher CO2 conversion. This study develops a comprehensive multi-scale mathematical model for RWGS membrane reactors. We integrate the microscale permeance model (for LTA-4A membrane) with the RWGS MR unit scale and the system’s scale models. The effectiveness of a... [more]

Direct Air Capture (DAC) technology has gained significant attention as a promising solution for mitigating CO2 emissions and meeting climate goals. However, the current challenges of high energy demand, capital costs, and scalability present critical challenges to the widespread deployment of DAC systems. Integrating DAC with Heating, Ventilation, and Air Conditioning (HVAC) systems in buildings offers a potential solution by enhancing indoor air quality while capturing CO2, thus lowering energy consumption and capital investment compared to standalone DAC systems. This study evaluates the techno-economic performance of an integrated DAC-HVAC system against a standalone DAC system. This analysis combines thermodynamic estimation of CO2 and H2O loadings and energy requirements with an economic evaluation of capital and operating costs to calculate the levelized cost of CO2 capture (LCOD) for both DAC-HVAC and DAC-standalone. A sensitivity analysis explores the effects of varying climat... [more]

A generally applicable framework for the evaluation of the sustainability of distillation processes is proposed by aligning indicators directly to selected sustainable development goals (SDGs) created by the United Nations. The indicators are related to the goals good health and well-being (SDG 3), clear water and sanitation (SDG 6), affordable and clean energy (SDG 7), decent work and economic growth (SDG 8), industry, innovation and infrastructure (SDG 9), responsible consumption and production (SDG 12), climate action (SDG 13) and life below water (SDG 14). A total of 12 sustainability indicators, including human toxicity potential, wastewater generation, water consumption, renewable energy share, energy demand, material footprint, profit, waste generation, recycling ratio of waste, greenhouse gas emission, eutrophication potential and acidification potential are assigned to selected SDGs. The application of the indicators is illustrated by two case studies: a batch (BD) and a conti... [more]

The Life Cycle Assessment (LCA) of a solid oxide electrolyser (SOE) has been performed using publicly available data. The system for producing 1 kg of hydrogen at 25bar and 99.9% purity is represented by a modular structure, which includes the 20-kW solid oxide stack manufacturing, balance of plant equipment, operation consumables, and end-of-life processes. A parametrized life cycle inventory modeling approach was developed. The results illustrate that SOE performs better than steam methane reforming only if supplied by electricity from renewable or nuclear sources. The operation consumables have been identified as the most contributive life stage (67%-89% of potential impacts), followed by equipment manufacturing (7%-22%) and stack manufacturing (4%-11%). Considering the predominant contribution of electricity supply in the consumables, no compromise should be made on ensuring clean electricity sourcing and on the stack energy conversion efficiency. The lifetime of the stack and the... [more]

In this study, we evaluate the economic and environmental impacts of integrating waste polyethylene (PE) pyrolysis with naphtha-based steam cracking for 660 Mt/y ethylene production. We compare six integration scenarios to both business-as-usual (BAU) steam cracking and greenfield waste PE pyrolysis plant. We perform process simulations and equipment design in Aspen Plus® V12, followed by a techno-economic analysis (TEA) and a life-cycle assessment (LCA. The integration capacity we considered corresponds to one full-capacity PE pyrolysis furnace, reducing naphtha feed by 7% in BAU steam cracking. Through the TEA, we identify the most cost-effective scenario by merging the PE pyrolysis gas with the steam cracker furnace outlet after preheating the PE feed. This integration reduces production costs by 6.46MM€/y, improving costs a 0.3% compared to BAU and 30% compared to the pyrolysis greenfield design. LCA results show that the greenfield pyrolysis plant achieves the lowest global warmin... [more]

This study presents a comparative analysis of various configurations for sustainable olefins production via chemical recycling of plastic/biomass wastes, integrating CO2 capture, storage and management technologies. The co-gasification, methanol synthesis and methanol-to-olefins process models were developed on the Aspen Plus® software. Optimization of processing conditions is achieved through the OSMOSE Lua platform, for minimizing the total cost of operation while accounting for seasonal variability in the electricity prices. CO2 valorization processes have been shown to increase carbon efficiency from 55% up to 97% compared to steam naphtha cracking, making chemical recycling of plastics an appealing alternative. In addition, direct CO2 emissions can be fully eliminated, resulting in up to 70% lower net CO2 emissions even when fossil-based plastic waste is used as feedstock. Seasonal CO2 storage can extend the economic benefits by acting as a buffer against high electricity costs an... [more]

This work aims to develop an energy storage system that allows fluctuating energy inputs (i.e. from process sections driven by renewable sources) to power two process units that are operated continuously at different temperatures. The system consists of two vessels storing diathermal mediums: one for the hotter- and the other for the colder-energy fluxes. The investigated solutions include sensible-heat-, latent-heat-, and thermochemical-TES (thermal energy storage). Organic Rankine cycles (ORCs) with lithium-ion batteries and thermoelectric generators were also assessed. Indeed, all these technologies allow the exploitation of low-temperature thermal energy to supply the high-temperature unit during periods of energy scarcity. Both vessels aim for total self-sufficiency; however, the option to rely on external utilities has been included to meet the energy demand of both units when sufficient process-side power is unavailable. Two energy profiles were investigated to assess the propos... [more]

Traditional steel processes are energy-intensive and rely heavily on fossil fuels, contributing to significant greenhouse gas emissions. By adopting electrification technologies, such as electric boilers and compressors, particularly when powered by renewable energy, steel plants can reduce their carbon footprint, enhance process flexibility, and lower long-term operational costs. This transition also aligns with increasing regulatory pressures and market demand for greener practices, positioning companies for a more competitive and sustainable future. This work investigates the potential of replacing conventional steam crackers in a steel plant that relies on the use of fossil fuels, with electrically driven heating systems powered by renewable energy sources. The overall aim was to significantly lower greenhouse gas emissions by integrating electric furnaces and heat pumps into the steel production process. This study evaluates the potential carbon savings from the integration of sol... [more]

Multi-component batch distillation, wherein multi-component mixtures are separated using a single column, is a crucial separation technique in the chemical industry. Traditionally, the components are separated in the descending order of volatility (direct sequence). Similar to continuous distillation, a specific separation sequence can optimize batch distillation. This work aims to generate such optimal sequence for a batch distillation in a computationally efficient manner. Specifically, the proposed approach extends the marginal vapor rate method, which is used for sequencing continuous distillation to multi-cut batch separation. The approach addresses challenges arising due to dynamic nature of batch distillation. The proposed methodology is validated using simulation case studies.

This study investigates the development of a probabilistic design space (DS) for a tableting process, focusing on the uncertainty in critical model parameters. A an empirical model is used to assess the impact of critical process parameters (CPPs), including lubrication extent and porosity, on tablet tensile strength (CQA). By incorporating Monte Carlo and Bayesian techniques, the uncertainty of five model parameters is propagated, allowing the estimation of feasibility probabilities for achieving CQAs with a reliability greater than 0.95. The resulting probabilistic DS provides manufacturers with a tool to assess the likelihood of meeting CQAs under varying production conditions. The findings indicate that specific combinations of lubrication rate and porosity define a robust DS within the acceptable operating region, ensuring consistent tableting performance even in the presence of uncertainties. This approach emphasizes the importance of probabilistic DS in optimizing manufacturing... [more]

In this contribution, a thermodynamic model-based approach for the optimal design of a solid-state hydrogen storage and release system utilizing the reversible iron oxide/iron thermochemical redox mechanism is presented. Existing storage processes using this mechanism face significant limitations, including low hydrogen conversion, high energy input requirements, limited storage density, and slow charging/discharging kinetics. To address these challenges, a custom thermodynamic model using NIST thermochemistry data is developed, enabling an in-depth analysis of redox reaction equilibria under different conditions. Unlike previous studies, this approach integrates a multi-objective optimization framework that explicitly balances competing objectives: maximizing hydrogen yield while minimizing thermal energy demand. By systematically identifying optimal trade-offs, the study provides new insights into improving process efficiency and reactor design for thermochemical hydrogen storage. Th... [more]

Biomass gasification is a promising technology for sustainable energy production. To date, extensive research has been conducted on biomass gasification, particularly focusing on the reaction models of the process. However, existing models are too complex to apply to the control system or to optimize the process operating conditions effectively, limiting their practical use for industrial applications. To address this, a simple reaction model for biomass gasification was developed and validated. A steady state simulation of the biomass gasification process is conducted to analyze gasifier behavior and provide insights into reaction dynamic. The findings in this study align well with existing literature, confirming the reliability of the approach. This simulation serves as a foundation for further study in process control and optimization. Future work will include experimental validation to enhance model accuracy and applicability.

As greenhouse gas emissions continue to increase worldwide, the growing energy demand must be met using low-carbon technologies. Renewable energy and carbon capture and storage are the two important technologies that can mitigate CO2 emissions. The two technologies have been primarily developed independently. However, their hybridization can offer complementary benefits and lower the costs of greenhouse gas abatement. Accordingly, in this article, we develop a novel carbon-neutral process that combines concentrated solar power (CSP) and fuel-based combustor with redox-based thermochemical energy storage (TCES) materials. The TCES materials are used for energy storage and as a source of oxygen (O2) for combusting fuel. We optimize the process’ economic performance considering variability in solar irradiance by developing a two-stage stochastic programming model. We illustrate that compared to the CSP-TCES process employing the Mn2O3/Mn3O4 TCES system, the proposed hybrid process has a 2... [more]

Electrified steam methane reforming has emerged as a promising technology for electrifying the hydrogen production process industries. Unlike conventional fossil fuel-based steam methane reforming, the electrified steam methane reforming process relies exclusively on electrical heating, eliminating the need for fossil fuel combustion. Beyond that, however, significant amounts of electricity required for the electrified process should be imported from the renewable energy-based system rather than fossil fuel-based grid electricity to have an environmental advantage over the conventional process. This study suggests a framework for integrating renewable energy systems into the electrified process for decarbonized hydrogen production. Considering the variability of renewable energy, wind and solar power are supplemented by battery storage, to facilitate a stable electricity supply to the electrified hydrogen production process. A Mixed-Integer Linear Programming (MILP) model is developed... [more]

Hydrogen (H2), as the promising alternative to fossil fuel-based energy carriers, faces the critical challenge of diversifying its sources and lowering production costs. Biogas, produced from organic waste, offers a renewable and carbon-neutral option for H2 production, but its high CO2 content requires a pre-separation process of CO2 from CH4 or specialized catalysts for use in existing reforming processes. Chemical looping reforming (CLR), as an advanced H2 production process, uses an oxygen carrier (OC) as the oxidant, allowing raw biogas to be used directly in the reforming process. Recently, numerous studies on CLR design and analysis have demonstrated their growing economic feasibility. However, deploying the CLR process in the biogas treatment industry requires further research to analyze its technical, economic, and environmental performance under target capacities and H2 purity. This study proposes biogas-based CLR processes and analyzes the capability of the processes from te... [more]

L-lactic acid (L-LA), a key monomer in biodegradable plastics, is a sustainable alternative that can be derived from LCB. The L-LA production process typically involves various technologies such as fermentation, filtration, and distillation. In the L-LA production process, large amounts of buffers are used to maintain proper pH during fermentation, so conventional buffers (e.g., CaCO3) are often selected because of their low cost. However, these buffers cannot be recycled efficiently, and the potential for alternative buffers remains uncertain. In this work, we aim to develop and evaluate novel processes for sustainable L-LA production using the alternative buffer (i.e., KOH). The processes involve a series of different unit operations such as pretreatment, fermentation, extraction, and electrolysis. An efficient buffer regeneration process using membrane electrolysis is implemented to recycle the buffer with minimal energy input. Then, we evaluated the viability of the proposed proces... [more]

The transition to a circular economy (CE) requires agents in circular supply chain (SC) networks to take a variety of different initiatives, many of which are dynamic in nature. We use a system dynamics (SD)-based approach to develop a generic framework for dynamic modeling of CE networks and propose a prototypical circular SC network by combining dynamic models for five actors: a manufacturer, consumer, material recovery facility (MRF), recycling facility, and the Earth. We apply this framework to the supply chain for Polyethylene Terephthalate (PET) plastic packaging by considering different scenarios over a 65-year time horizon in the US. We include both "slow-down-the-loop" initiatives (i.e., those that extend product use time through demand reduction or reuse) and "close-the-loop" initiatives (i.e., those that reintroduce product to the supply chain through recycling) by the consumer, as well as sorting and recycling capacity expansion. We find that, given the current recycling in... [more]

A simple mathematical model of the co-precipitation of Ni-Mn-Co hydroxides is developed and applied to investigate the effect of pH, initial concentration of ammonia in the solution, concentration of the ammonia feed, nucleation rate constant and exponent, growth rate constant and growth exponent over the model output. The model is shown to produce a correct representation of the precipitation variables, and the general trends obtained for different sets of parameters are found in agreement with results presented elsewhere. A sensitivity analysis is carried out and the sensitivity indices are calculated. It is found that pH, initial concentration of ammonia and growth rate constant are the input parameters with the most relevant effect over the model input.

As anthropogenic CO2 emissions continue to drive global warming, innovative approaches to repurpose CO2 into valuable products emerge as pivotal solutions to mitigate its environmental impact. CO2 utilization encompasses a range of technologies, including its conversion into fuels, chemicals, and materials, leveraging CO2 as a resource rather than treating it solely as a waste. This shift not only reduces greenhouse gas emissions but also supports the circular economy by integrating industrial processes with carbon capture and storage technologies. Specifically, in the Waste-to-Energy (WtE) context, sodium bicarbonate production can be an attractive solution, considering that it is required in the plant for SOx and acidic gases abatement. In this work, the carbon dioxide utilization to give sodium bicarbonate in a WtE context is analyzed. With reference to an existing waste-to-energy plant in Italy, the potential of this CO2 utilization method is highlighted by means of process simulat... [more]

Trichlorosilane (TCS) is a platform chemical used in the manufacture of silicon metals, silicones, and functional silanes. Despite this, very little information is available on the environmental impact (EI) associated with its manufacture. This work addresses this gap by developing estimates for the EI of reagent grade TCS (RG-TCS) based on a combination of process modelling & optimisation and life cycle assessment (LCA). Two production methods are considered: 1) direct chlorination (DC) producing RG-TCS as a main product, and 2) the Siemens process (SP) producing RG-TCS as a co-product. Results of a bi-objective process optimization suggest that the DC approach provides consistently better pareto-optimal (PO) trade-offs between the global warming potential (GWP) of RG-TCS and process profit; predicted GWPs are 3.2 to 3.3 kgCO2-eq/kg for DC-derived RG-TCS and 3.8 to 4.9 kgCO2-eq/kg for SP-derived PO designs. This suggests that processing history is important when considering the EI of... [more]