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Journal articleLeonzio G, Shah N, 2024,
Recent advancements and challenges in carbon capture, utilization and storage
, Current Opinion in Green and Sustainable Chemistry, Vol: 46, ISSN: 2452-2236This short paper suggests a review of the latest developments and current challenges associated with carbon dioxide capture, utilization and storage. Recent research has been conducted to reduce energy consumption, costs, and improve efficiency. In carbon dioxide capture, catalysts have been added to solvents while new membranes and sorbent materials have been investigated. In mineral carbon dioxide storage, studies have been carried out to improve reaction rates. Regarding the utilization path, attention has been focused on the development of sustainable chemicals (mainly based on electrochemical conversion), biochemical routes and power generation. Considering the respective challenges, future efforts should be focused toward the optimization of these systems at all levels, in addition to a public acceptance and new policies and regulations for their spread.
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Journal articleMartin Trusler JP, 2024,
Measurement of diffusion coefficients in binary mixtures and solutions by the Taylor Dispersion method
, International Journal of Thermophysics, Vol: 45, ISSN: 0195-928XThe theory and application of the Taylor Dispersion technique for measuring diffusion coefficients in binary systems is reviewed. The theory discussed in this paper includes both the ideal Taylor–Aris model and the estimation of corrections required to account for small deviations from this ideal associated with a practical apparatus. Based on the theoretical treatment, recommendations are given for the design of practical instruments together with suggestions for calibration, data acquisition and reduction, and the rigorous estimation of uncertainties. The analysis indicates that relative uncertainties on the order of 1% are achievable in practice.
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Journal articleNyhus AH, Yliruka M, Shah N, et al., 2024,
Green ethylene production in the UK by 2035: a techno-economic assessment
, Energy and Environmental Science, Vol: 17, Pages: 1931-1949, ISSN: 1754-5692Olefins production in the UK is the most emission-intensive sector of the chemical industry. Bringing thermocatalytic and electrocatalytic processes together, this paper compares nine process routes for green ethylene production from air-captured CO2 and off-shore wind electricity in order to displace fossil-based ethylene, with a particular focus on technology readiness for near-future deployment. The methanol-mediated thermocatalytic route has the lowest projected levelised cost at £2900 per ton of ethylene by 2035, closely followed by direct and tandem CO2 electroreduction routes in the range £2900–3200. The price of green ethylene at three times or more its current market price is confirmed through a sensitivity analysis varying the levelised cost of electricity, stack cost, and market price of propylene or oxygen simultaneously. While these green ethylene production processes would be carbon negative from a cradle-to-gate viewpoint, displacing a conventional ethane cracker with annual production capacity of 800 kt could consume as much as 46–66 TW h of renewable electricity, which is a major barrier to deployment.
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Journal articleRovelli A, Brodie J, Rashid B, et al., 2024,
Effects of core size and surfactant choice on fluid saturation development in surfactant/Polymer corefloods
, Energy and Fuels, Vol: 38, Pages: 2844-2854, ISSN: 0887-0624Surfactant/polymer flooding allows for a significant increase in oil recovered at both laboratory and field scales. Limitations in application at the reservoir scale are, however, present and can be associated with both the complexity of the underlying displacement process and the time-intensive nature of the up-scaling workflow. Pivotal to this workflow are corefloods which serve to both validate the extent of oil recovery and extract modeling parameters used in upscaling. To enhance the understanding of the evolution of the saturation distribution within the rock sample, we present the utilization of X-ray computed tomography to image six distinct surfactant/polymer corefloods. In doing so, we visualize the formation and propagation of an oil bank by reconstructing multidimensional saturation maps. We conduct experiments on three distinct core sizes and two different surfactants, an SBDS/isbutanol formulation and an L-145-10s 90 formulation, in order to decouple the effect of these two parameters on the flow behavior observed in situ. We note that the oil production post oil bank breakthrough is primarily influenced by the surfactant choice, with the SDBS/isobutanol formulation displaying longer tailing production of a low oil cut. On the other hand, the core size dominated the extent of self-similarity of the saturation profiles with smaller cores showing less overlap in the self-similarity profiles. Consequently, we highlight the difference in applicability of a fractional flow approach to larger and smaller cores for upscaling parameter extraction and thus provide guidance for corefloods where direct imaging is not available.
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Journal articleLombardo G, Menegazzo D, Wedler C, et al., 2024,
Speed of sound measurements and correlation of {(1-x)3,3,3-trifluoropropene (HFO-1243zf) + x2,3,3,3-tetrafluoropropene (H FO-1234yf)} with x= (0.1582, 0.4625, 0.7623) at temperatures from 243.15 to 343.15 K and pressures up to 90 MPa
, International Journal of Thermophysics, Vol: 45, Pages: 142-142 -
Journal articleIbrahim D, Kis Z, Papathanasiou MM, et al., 2024,
Strategic Planning of a Joint SARS-CoV-2 and Influenza Vaccination Campaign in the UK
, Vaccines, Vol: 12, ISSN: 2076-393XThe simultaneous administration of SARS-CoV-2 and influenza vaccines is being carried out for the first time in the UK and around the globe in order to mitigate the health, economic, and societal impacts of these respiratory tract diseases. However, a systematic approach for planning the vaccine distribution and administration aspects of the vaccination campaigns would be beneficial. This work develops a novel multi-product mixed-integer linear programming (MILP) vaccine supply chain model that can be used to plan and optimise the simultaneous distribution and administration of SARS-CoV-2 and influenza vaccines. The outcomes from this study reveal that the total budget required to successfully accomplish the SARS-CoV-2 and influenza vaccination campaigns is equivalent to USD 7.29 billion, of which the procurement costs of SARS-CoV-2 and influenza vaccines correspond to USD 2.1 billion and USD 0.83 billion, respectively. The logistics cost is equivalent to USD 3.45 billion, and the costs of vaccinating individuals, quality control checks, and vaccine shipper and dry ice correspond to USD 1.66, 0.066, and 0.014, respectively. The analysis of the results shows that the choice of rolling out the SARS-CoV-2 vaccine during the vaccination campaign can have a significant impact not only on the total vaccination cost but also on vaccine wastage rate.
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Journal articleMutailipu M, Song Y, Yao Q, et al., 2024,
Solubility and interfacial tension models for CO₂–brine systems under CO₂ geological storage conditions
, Fuel, Vol: 357, Pages: 1-15, ISSN: 0016-2361Thermodynamic properties of the CO2–brine pseudo-binary system are essential for the design of geological carbon storage (GCS) projects, especially those utilizing saline aquifers. The gas–liquid–solid interactions manifest in the interfacial tensions (IFTs) and contact angle determine the injectability, sealing capacity, and storage security of the GCS process. Dissolution of CO2 in the reservoir brine occurs throughout the entire GCS process, leading to enhanced storage capacity but also to acidification of the brine, possibly leading to reservoir or seal damage. Two of the most important thermodynamic properties of the fluids are the mutual solubility and the IFT of the CO2–brine pseudo-binary system. In this work, we report a new correlative model for the IFT between CO2- and water-rich phases over wide ranges of temperature (273 to 473 K) and pressure (up to 100 MPa). The model is parameterized for brines comprising any combinations of sodium, potassium, calcium and magnesium cations with chloride, sulphate and bicarbonate anions up to a total molality of at least 5 mol·kg−1. The independent variables in this new model are reduced temperature, ion molalities and the mole fraction of CO2 dissolved in the aqueous phase. The latter is related to temperature, pressure and ion molalities by an improved model for the mutual solubility. More than 2000 experimental data points were used in the development of the two models. For the IFT of the CO2-H2O binary system, the overall root-mean-square deviation (RMSD) is 0.65 mN·m−1 while the absolute average relative deviation (AARD) is 1.8%. In the case of mutual solubility, the RMSD of CO2 mole fraction in the aqueous phase is 0.0003 and the AARD is 5.5% while, in the non-aqueous phase, the RMSD of H2O mole fraction is 0.0035 and the corresponding AARD is 8.7%. Similar results are found for the CO2-brine systems.
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Journal articleRuffine L, Trusler JPM, 2024,
Corrigendum to “Phase behaviour of mixed-gas hydrate systems containing carbon dioxide” [J. Chem. Thermodyn. 42 (2010) 605–611]
, The Journal of Chemical Thermodynamics, Vol: 189, ISSN: 0021-9614 -
Book chapterPurwanto HK, Sachio S, Ward A, et al., 2024,
Flexible operation assessment of adsorption-based carbon capture systems via design space identification
, Computer Aided Chemical Engineering, Pages: 1429-1434Post-combustion CO<inf>2</inf> capture by pressure-vacuum swing adsorption (PVSA) is gaining increasing interest due to the evolving energy landscape and the industry's decarbonization efforts. Within a hybrid energy system composed of conventional fossilfuel-based power generation balancing renewable electricity sources, PVSA systems must be able to accommodate for transient conditions arising from intermittent operation. In this work, a model-based approach to investigate the operational flexibility of a PVSA unit applied to a 1,000 MW coal power plant is presented. The comparative analysis of two distinct adsorbents reveals a clear trade-off between operability and economics. Specifically, Zeolite-13X exhibits a lower capture cost, while ZIF-36-FRL demonstrates more flexibility in the ranges of high- and low-pressures at which the unit can be operated. The most flexible nominal operating point was successfully identified for each adsorbent using the developed framework, highlighting the importance of incorporating into the design process operational robustness. The latter is represented by a novel metric of normalised space size (NSS). This work demonstrates that significant improvement in NSS can be achieved, while increasing capture cost only marginally. This result highlights that optimal adsorbent selection for CO<inf>2</inf> capture should account for operational flexibility.
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Book chapterWard A, Papathanasiou MM, Pini R, 2024,
Design and Optimization of a Steam-assisted Adsorption Process for Direct Air Capture
, Computer Aided Chemical Engineering, Pages: 223-228Purification of CO<inf>2</inf> from atmospheric air via a steam-assisted temperature-vacuum swing adsorption (S-TVSA) process is a promising approach for efficiently achieving greenhouse gas removal. In this work, we present a computational framework for design and optimization of S-TVSA direct air capture processes by employing detailed numerical simulations, variance-based sensitivity analysis, and black-box optimization. We develop a numerical simulation platform for S-TVSA processes through solution of the governing dynamic material, momentum, and energy balance equations via a finite volume approach. We then use the developed simulator to conduct variance-based sensitivity analysis to quantify the influence of each process operating condition on all key process KPIs, in terms of both first and second order effects. Further, we conduct constrained multi-objective optimization to maximize the efficiency of S-TVSA direct air capture in terms of maximum productivity and minimum energy usage, while achieving high CO<inf>2</inf> purity. The results show that the system performance is strongly non-linear with respect to the operating decisions, and that process design by rigorous optimization is central to obtaining near-optimal performance. Further, we identify that under optimal operating conditions, the energy usage of S-TVSA direct air capture is not prohibitively large for wide-scale deployment - but the system productivity is low. This challenges the emerging view of co-locating direct air capture to low-carbon electricity and heat provision without consideration of the available land footprint in the vicinity of such resources. Results recommend that significant future research efforts should be dedicated towards enhancing the productivity of S-TVSA direct air capture processes to enable their deployment at climate-relevant scales.
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Journal articleLatcham RV, Trusler JPM, 2024,
Phase behavior of isobutane + CO2 and isobutane + H2 at temperatures between 190 and 400 K and at pressures up to 20 MPa
, International Journal of Thermophysics, Vol: 45, ISSN: 0195-928XMixtures containing isobutane, carbon dioxide, and/or hydrogen are found in various industrial processes, green refrigerant systems, and the growing hydrogen industry. Understanding the thermophysical properties of these mixtures is essential for these processes, and depends on reliable experimental data. Making use of an automated static-analytical apparatus, measurements were made of the phase behavior of binary mixtures of isobutane with CO2 and with H2, extending the range of available data for both mixtures. Measurements of the system isobutane + CO2 were carried out along three isotherms at temperatures of (240, 280, and 310) K with pressures from the lower limit of the sampling system (~ 0.5 MPa) to the mixture critical pressure. The results exhibit good agreement with literature data. Measurements on isobutane + H2 were carried out along nine isotherms at temperatures of (190, 240, 280, 311, 339, 363, 375, 390, and 400) K with pressures up to 20 MPa, covering a much broader range of conditions than the one prior investigation. The results have been used to optimize temperature-dependent binary parameters in the Peng–Robinson equation of state with two different mixing rules. This approach was found to perform well in comparison to alternative models.
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Journal articleWang Z, Acha S, Bird M, et al., 2024,
A total cost of ownership analysis of zero emission powertrain solutions for the heavy goods vehicle sector
, Journal of Cleaner Production, Vol: 434, ISSN: 0959-6526Transport-related activities represented 34% of the total carbon emissions in the UK in 2022 and heavy-duty vehicles (HGVs) accounted for one-fifth of the road transport greenhouse gas (GHG) emissions. Currently, battery electric vehicles (BEVs) and hydrogen fuel cell electric vehicles (FCEVs) are considered as suitable replacements for diesel fleets. However, these technologies continue to face techno-economic barriers, creating uncertainty for fleet operators wanting to transition away from diesel-powered internal combustion engine vehicles (ICEVs). This paper assesses the performance and cost competitiveness of BEV and FCEV powertrain solutions in the hard-to-abate HGV sector. The study evaluates the impact of battery degradation and a carbon tax on the cost of owning the vehicles. An integrated total cost of ownership (TCO) model, which includes these factors for the first time, is developed to study a large retailer's HGV fleet operating in the UK. The modelling framework compares the capital expenditures (CAPEX) and operating expenses (OPEX) of alternative technologies against ICEVs. The TCO of BEVs and FCEVs are 11% to 33% and 37% to 78% higher than ICEVs; respectively. Despite these differences, by adopting a longer lifetime for the vehicle it can effectively narrow the cost gap. Alternatively, cost parity with ICEVs could be achieved if BEV battery cost reduces by 56% or if FCEV fuel cell cost reduces by 60%. Besides, the pivot point for hydrogen price is determined at £2.5 per kg. The findings suggest that BEV is closer to market as its TCO value is becoming competitive, whereas FCEV provides a more viable solution than BEV for long-haul applications due to shorter refuelling time and lower load capacity penalties. Furthermore, degradation of performance in lithium-ion batteries is found to have a minor impact on TCO if battery replacement is not required. However, critical component replacement and warranty can influence commercial viability. Given
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Journal articleTriantafyllou N, Sarkis M, Krassakopoulou A, et al., 2024,
Uncertainty quantification for gene delivery methods: a roadmap for pDNA manufacturing from phase I clinical trials to commercialization
, Biotechnology Journal, Vol: 19, ISSN: 1860-6768The fast-growing interest in cell and gene therapy (C>) products has led to a growing demand for the production of plasmid DNA (pDNA) and viral vectors for clinical and commercial use. Manufacturers, regulators, and suppliers need to develop strategies for establishing robust and agile supply chains in the otherwise empirical field of C>. A model-based methodology that has great potential to support the wider adoption of C> is presented, by ensuring efficient timelines, scalability, and cost-effectiveness in the production of key raw materials. Specifically, key process and economic parameters are identified for (1) the production of pDNA for the forward-looking scenario of non-viral-based Chimeric Antigen Receptor (CAR) T-cell therapies from clinical (200 doses) to commercial (40,000 doses) scale and (2) the commercial (40,000 doses) production of pDNA and lentiviral vectors for the current state-of-the-art viral vector-based CAR T-cell therapies. By applying a systematic global sensitivity analysis, we quantify uncertainty in the manufacturing process and apportion it to key process and economic parameters, highlighting cost drivers and limitations that steer decision-making. The results underline the cost-efficiency and operational flexibility of non-viral-based therapies in the overall C> supply chain, as well as the importance of economies-of-scale in the production of pDNA.
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Journal articleLeonzio G, Shah N, 2024,
Analysis of the preferred ethylene production route from carbon dioxide at a supply chain level: results of mathematical modelling for a Teesside case study
, Computer Aided Chemical Engineering, Vol: 53, Pages: 199-204, ISSN: 1570-7946Currently, new routes for producing chemical building blocks are required with the aim to support the energy and feedstock transition. Considering both global demand and production capacity, ethylene is the most important organic chemical and for this reason alternative production routes (based on carbon dioxide and water) have been investigated and screened in terms of costs and emissions in one of our previous works. In this research, the best alternative ethylene production technology is suggested at a supply chain level for the Teesside cluster (UK) through the development of two different mathematical models for the supply chain. Results show that the best ethylene production route is based on methanol-to-olefin plant where methanol is produced by syngas obtained from carbon dioxide-water co-electrolysis. Through a global sensitivity analysis based on a surrogate model, it is found that the carbon dioxide utilization cost has the highest impact on the supply chain total cost. The optimization of the electrolytic cell could help with cost reduction.
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Conference paperMowbray M, Kontoravdi C, Shah N, et al., 2024,
A decomposition approach to characterizing feasibility in acyclic multi-unit processes
, 12th IFAC Symposium on Advanced Control of Chemical Processes ADCHEM 2024, Publisher: Elsevier BV, Pages: 216-221, ISSN: 2405-8963The ability to certify feasibility in process design and process operations is crucial in many applications. This includes quality-by-design in pharmaceutical manufacturing, where a key element is the characterization of the design space to better understand the links between materials, processes and products. Sampling-based approaches are versatile but they are cursed by dimensionality, which currently limits their application to problems in a few process variables only. We propose a decomposition approach that enables feasibility characterization for nominal settings of uncertain parameters in acyclic multi-unit processes by sampling. Our methodology leverages problem structure to decompose unit-wise, and deploys surrogate models to couple the resultant subproblems. We demonstrate it on a serial, batch chemical reactor network. In future research, we will extend this framework to cyclic multi-unit processes and the presence of parameter uncertainty.
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Journal articleAzzan H, Danaci D, Petit C, et al., 2023,
Unary adsorption equilibria of hydrogen, nitrogen and carbon dioxide on y-type zeolites at temperatures from 298 to 393 k and at pressures up to 3 MPA
, Journal of Chemical and Engineering Data, Vol: 68, Pages: 3512-3524, ISSN: 0021-9568The equilibrium adsorption of CO2, N2, and H2 on commercially available Zeolite H–Y, Na–Y, and cation-exchanged NaTMA–Y was measured up to 3 MPa at 298.15, 313.15, 333.15, 353.15, and 393.15 K gravimetrically using a magnetic suspension balance. The chemical and textural characterization of the materials was carried out by thermogravimetric analysis, helium gravimetry, and N2 (77 K) physisorption. We report the excess and net isotherms as measured and estimates of the absolute adsorption isotherms. The latter are modeled using the simplified statistical isotherm (SSI) model to evaluate adsorbate–adsorbent interactions and parametrize the data for process modeling. When reported per unit volume of zeolite supercage, the SSI model indicates that the saturation capacity for a given gas takes the same value for the three adsorbents. The Henry’s constants predicted by the model show a strong effect of the cation on the affinity of each adsorbate.
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Journal articleOrdonez DF, Ganzer C, Halfdanarson T, et al., 2023,
Quantifying global costs of reliable green hydrogen
, Energy Advances, Vol: 2, Pages: 2042-2054, ISSN: 2753-1457The current energy crisis has resulted in natural gas prices at an unprecedented level in many parts of the world, with significant consequences for the price of food and fertiliser. In this context, and with the projected reduction in the costs of renewables and electrolysers, green hydrogen is becoming an increasingly attractive option. In this study, we evaluate the current and future costs of green hydrogen, produced on a reliable schedule, so as to be coherent with industrial demand. Here, we take full account of both inter- and intra-annual variability of renewable energy, using 20 years of hourly resolution wind and solar data from 1140 grid points around the world. We observe that simply using average annual capacity factors will result in a significantly under-sized system that will frequently be unable to meet demand. In order to ensure production targets are met, over-capacity of power generation assets and energy storage assets are required to compensate for inter-annual and intra-annual variations in the availability of wind and solar resources, especially in the time periods known as “dunkelflauten”. Whilst costs vary substantially around the world, contemporary costs of reliable green hydrogen are estimated to be, on average, 18–22 USD per kgH2 with a minimum of 5 USD per kgH2, depending on the ability to monetise “surplus” or “excess” renewable energy. The primary cost driver is renewable energy capacity, with electrolysers and energy storage costs exerting a second-order effect. With cost reduction, future costs are anticipated to be, on average, 8–10 USD per kgH2 with a minimum of 3 USD per kgH2, again as a function of the ability to monetise otherwise curtailed power. Another key factor in future costs is found to be hurdle rates for capital investments. Finally, we observe that continued cost reduction of renewable power is key to reducing overall system costs of green hydrogen production.
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Journal articleAn S, Wenck N, Manoorkar S, et al., 2023,
Inverse Modeling of Core Flood Experiments for Predictive Models of Sandstone and Carbonate Rocks
, WATER RESOURCES RESEARCH, Vol: 59, ISSN: 0043-1397 -
Journal articleLeonzio G, Chachuat B, Shah N, 2023,
Towards ethylene production from carbon dioxide: Economic and global warming potential assessment
, SUSTAINABLE PRODUCTION AND CONSUMPTION, Vol: 43, Pages: 124-139, ISSN: 2352-5509 -
Journal articleGuo M, Wu C, Chapman S, et al., 2023,
Advances in biorenewables-resource-waste systems and modelling
, Carbon Capture Science & Technology, Vol: 9The transformation to a resource-circular bio-economy offers a mechanism to mitigate climate change and environmental degradation. As advanced bioeconomy components, biorenewables derived from terrestrial, aquatic biomass and waste resources are expected to play significant roles over the next decades. This study provides an overview of potential biomass resources ranging from higher plant species to phototrophic microbial cluster, and their fundamental photosynthesis processes as well as biogeochemical carbon cycles involved in ecosystems. The review reflects empirical advances in conversion technologies and processes to manufacture value-added biorenewables from biomass and waste resources. The nexus perspective of resource-biorenewable-waste has been analysed to understand their interdependency and wider interaction with environmental resources and ecosystems. We further discussed the systems perspectives of biorenewables to develop fundamental understanding of resource flows and carbon cycles across biorenewable subsystems and highlight their spatial and temporal variability. Our in-depth review suggested the system challenges of biorenewable, which are subject to nonlinearity, variability and complexity. To unlock such system complexity and address the challenges, a whole systems approach is necessary to develop fundamental understanding, design novel biorenewable solutions. Our review reflects recent advances and prospects of computational methods for biorenewable systems modelling. This covers the development and applications of first principle models, process design, quantitative evaluation of sustainability and ecosystem services and mathematical optimisation to improve design, operation and planning of processes and develop emerging biorenewable systems. Coupling these advanced computational methods, a whole systems approach enables a multi-scale modelling framework to inherently link the processes and subsystems involved in biomass ecosystems and biorenew
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Journal articleLindsay C, Braun E, Berg S, et al., 2023,
Core analysis in a changing world – how technology is radically benefiting the methodology to acquire, the ability to visualize and the ultimate value of core data
, Vol: 527, Pages: 43-58, ISSN: 0305-8719Core analysts principally study the storage, flow and saturation properties of porous rocks and sed-iments. Some of the derived parameters are specific to hydrocarbon production but many have commonality with other subsurface disciplines such as hydrology and soil science. Traditional core analysis involves direct physical experimentation on core plugs to derive a range of parameters used as calibration for conventional well logs, and to predict hydrocarbon reserves and recovery. The mechanisms and processes for obtaining such data have evolved significantly during the last century, from the manual instruments of the mid-twentieth century to the accredited digital data collection and recording of the 1990s onwards. X-ray micro-and nano-scale computed tomography (CT) imaging led to the development of the digital rock physics subdiscipline in the early 2000s. This has subsequently allowed direct visualization of fluid flow at the pore scale, imaging the wetting phase and multiphase fluid mobility. Multiscale imaging workflows are being developed to overcome issues around heterogeneous rock and the limited field of view associated with the high-est resolution X-ray CT images. Hybrid workflows, which combine digital rock physics with traditional core analysis, are becoming increasingly common to meet the challenges associated with some of the most difficult to constrain properties, such as relative permeability. At a larger scale, the recent development of multisensor core logging (MSCL) tools has allowed the cost-effective acquisition of essentially continuous high-resolution 1D, 2D and 3D datasets from both slabbed and unslabbed whole core. Often aided by artificial intelligence to manage and interpret these large physical and chemical datasets, both new and legacy core can be rapidly screened to allow representative subsampling for detailed laboratory experimentation. The context and data provided by the MSCL then allows effective upscaling of these time-and cost-int
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Journal articleWu Y, An S, Tahmasebi P, et al., 2023,
An end-to-end approach to predict physical properties of heterogeneous porous media: Coupling deep learning and physics-based features
, FUEL, Vol: 352, ISSN: 0016-2361- Cite
- Citations: 19
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Journal articleYang X, Hanzelmann C, Feja S, et al., 2023,
Thermophysical Property Modeling of Lubricant Oils and Their Mixtures with Refrigerants Using a Minimal Set of Experimental Data
, Industrial & Engineering Chemistry Research, Vol: 62, Pages: 18736-18749, ISSN: 0888-5885 -
Journal articleSoh QY, ODwyer E, Acha S, et al., 2023,
Robust optimisation of combined rainwater harvesting and flood mitigation systems
, Water Research, Vol: 245, ISSN: 0043-1354Combined large-scale rainwater harvesting (RWH) and flood-mitigation systems are promising as a sustainable water management strategy in urban areas. These are multi-purpose infrastructure that not only provide a secondary, localised water resource, but can also reduce discharge and hence loads on any downstream wastewater networks if these are integrated into the wider water network. However, the performance of these systems is dependent on the specific design used for its local catchment which can vary significantly between different implementations. A multitude of design strategies exist, however, there is no universally accepted standard framework. To tackle these issues, this paper presents a two-player optimisation framework which utilises a stochastic design optimisation model and a competing, high intensity rainfall design model to optimise passively operated RWH systems. A customisable tool set is provided, under which optimisation models specific to a given catchment can be built quickly. This reduces the barriers to implementing computationally complex sizing strategies and encouraging more resource-efficient systems to be built. The framework was applied to a densely populated high-rise residential estate, eliminating overflow events from historical rainfall. The optimised configuration resulted in a 32% increase in harvested water yield, but its ability to meet irrigation demands was limited by the operational levels of the treatment pump. Hence, with the inclusion of operational levels in the optimisation model, the framework can provide an efficient large-scale RWH system that is capable of simultaneously meeting water demands and reducing stresses within and beyond its local catchment.
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Conference paperPan Z, Trusler JPM, Zhang K, 2023,
Interfacial dilational rheology between nitrogen and aqueous surfactant solutions: implications for foam-assisted EOR
, SPE Annual Technical Conference and Exhibition, Publisher: SPEFoam-assisted EOR is a promising technique to meet the ever-growing global energy demand. However, foam is thermodynamically unstable because of large gas-liquid interface. The stability of foam depends largely upon interfacial rheological properties, which represent the resistance capability to disturbance. Most previous studies address limited pressure ranges, not revealing the behavior under subsurface conditions. To fill this gap, we measured the interfacial dilational viscoelasticity of (N2 + SDS (aq)) at various pressures in a high-temperature high-pressure view cell by using the oscillating-drop-profile method. The interfacial elastic and viscous moduli were studied at pressures from ambient pressure up to 26.7 MPa, temperatures of 298 K and 348 K, SDS concentrations below the CMC (0.05 mass% and 0.15 mass%) and above the CMC (0.50 mass%) and oscillating frequencies of 0.125 Hz and 0.0625 Hz, which may correspond to the low-frequency fluctuation expected during the reservoir fluids flow in porous media. The effects of pressure, temperature, SDS concentration and oscillating frequency were examined. Both elastic and viscous moduli decreased with increasing pressure, indicating weaker resistance capability to external disturbance under high-pressure conditions. At concentrations below the CMC, elastic modulus decreased, and viscous modulus increased with increasing temperature, while at concentrations above the CMC, both moduli decreased with increasing temperature. Surfactant solutions with higher concentrations had larger dilational viscoelasticity. However, once the CMC was reached and surfactant micelles were formed in the solution, a significant drop in the interfacial dilational modulus was observed. At concentrations below the CMC, both moduli increased with increasing oscillating frequency, while at concentrations above the CMC, the effect of frequency was insignificant. The expansion and compression of pendant drop during interfacial dilational modulus
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Journal articleWong JJ, Iruretagoyena D, Shah N, et al., 2023,
A three-interface random pore model: the reduction of iron oxide in chemical looping and green steel technologies
, Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol: 479, ISSN: 1364-5021Accurate modelling of the gaseous reduction of porous iron oxide powders or fines is important in industry for (i) reinventing the carbon intensive production of iron and steel and (ii) chemical looping technologies in the sphere of carbon capture and storage. A new three-interface random pore model is derived and applied to the gaseous reduction of hematite (Fe2O3) to iron (Fe). The structural reaction–diffusion model is able to describe three simultaneously reacting oxide layers, Fe2O3, magnetite (Fe3O4) and wustite (Fe𝑤O). The geometric nature of the model encodes structural information about the particles (porosity, surface area, pore length and size distribution), measured here by experiment. The model is usefully able to separate structural particle properties from individual rates of reaction and product layer diffusion. The results have been compared and fitted to thermogravimetric experiments between 800–1000∘C and three CO/CO2 gas mixtures. Rate constants for each indvidual reaction have been obtained and fit well to Arrhenius plots. The reduction of Fe2O3–Fe3O4 was controlled by diffusion and reaction kinetics, while the reduction of Fe3O4–Fe𝑤O and Fe𝑤O–Fe was limited by reaction kinetics. Metallization rates of the iron oxide powders were rapid, showing promise for both hydrogen-based direct reduced iron and chemical looping processes.
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Journal articleSpurin C, Roberts GG, O'Malley CPB, et al., 2023,
Pore-Scale Fluid Dynamics Resolved in Pressure Fluctuations at the Darcy Scale
, GEOPHYSICAL RESEARCH LETTERS, Vol: 50, ISSN: 0094-8276 -
Journal articleZhang Y, Jackson C, Darraj N, et al., 2023,
Feasibility of Carbon Dioxide Storage Resource Use within Climate Change Mitigation Scenarios for the United States
, ENVIRONMENTAL SCIENCE & TECHNOLOGY, Vol: 57, Pages: 14938-14949, ISSN: 0013-936X- Cite
- Citations: 5
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Conference paperWedler C, Trusler J, 2023,
Speed of sound measurements in helium at pressures up to 100 MPa compared with a Helmholtz energy EOS and an ab initio calculated virial EOS
, Thermodynamik Kolloquium 2023 -
Conference paperWedler C, Ferre A, Azzan H, et al., 2023,
Competitive high-pressure adsorption of CO2/CH4 mixtures on NIST reference zeolite Y (RM8850)
, Thermodynamik Kolloquium 2023
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