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Conference paperWedler C, Nguyen T-T-G, Pohl S, et al., 2023,
Speed of sound measurements in hydrogen up to 100 MPa and an equation of state for normal hydrogen
, 22nd European Conference on Thermophysical Properties, Pages: 130-130 -
Conference paperWedler C, Trusler JPM, 2023,
Measurements and modelling of density and viscosity of methyl dodecanoate and ethyl tetradecanoate
, 22nd European Conference on Thermophysical Properties, Pages: 123-123 -
Journal articleEluwah C, Fennell PS, Tighe CJ, et al., 2023,
A novel technological blue hydrogen production process: industrial sorption enhanced autothermal membrane (ISEAM)
, Energy Advances, Vol: 2, Pages: 1476-1494, ISSN: 2753-1457A novel technological industrial blue hydrogen production process – the Industrial Sorption Enhanced Autothermal Membrane (ISEAM) process, with the potential to produce constant fuel cell grade hydrogen with a purity of 99.99%, regardless of upstream process upsets, has been modelled using an Aspen Plus simulator and MATLAB (including both thermodynamics and kinetics analysis). The process exhibits a very high hydrogen yield (99%), and methane conversion (99.9%), with a low carbon monoxide footprint (at ppm levels). The results were validated by comparing against experimental data published in the literature. Parametric evaluations were later conducted to identify the optimal operating conditions for the developed blue hydrogen ISEAM process. The required reforming heat is provided by the exothermic carbonation reaction of a sorbent, while chemical looping of the oxygen carrier (metal oxides) provides the regeneration heat required for the saturated sorbent, in a novel multi-tubular packed shell and tube reactor. Pinch analysis shows that the process is auto thermal (so it does not need any external heating utility) and can achieve an extremely high 97.5% thermal and hydrogen production efficiency. The ISEAM process was benchmarked against an industrial steam methane reforming (SMR) plant and the result shows ≥32% improvements in most of the technical parameters that were evaluated. Economic evaluation shows a levelized cost of hydrogen (LCOH) of $2.6 per kg-H2 for the baseline SMR plant compared with $1.3 per kg-H2 for the ISEAM process (a 50% cost reduction). The cost of CO2 removal (CCR) was calculated as $180 per tonneCO2 for the baseline SMR process compared with $33.2 per tonneCO2 (81.6% cost reduction) for the novel process. The novel ISEAM process utilizes mature and existing industry technologies such as desulphurization, pre-reforming, adsorption, membranes, waste heat boilers, and pressure swing adsorption. Because of this, scale-up is easier and
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Journal articleDhakal S, Al Ghafri SZS, Rowland D, et al., 2023,
Speeds of sound in binary mixtures of water and carbon dioxide at temperatures from 273 K to 313 K and at pressures up to 50 MPa
, International Journal of Thermophysics, Vol: 44, Pages: 1-29, ISSN: 0195-928XKnowledge of thermodynamic properties of aqueous solutions of CO2 is crucial for various applications including climate science, carbon capture, utilisation and storage (CCUS), and seawater desalination. However, there is a lack of reliable experimental data, and the equation of state (EOS) predictions are not reliable, particularly for sound speeds in low CO2 concentrations typical of water resources. For this reason, we have measured speeds of sound in three different aqueous solutions containing CO2. We report speeds of sound in the single-phase liquid region for binary mixtures of water and CO2 for mole fractions of CO2 of 0.0118, 0.0066 and 0.0015 at temperatures from 273.15 K to 313.15 K and at pressures up to 50 MPa, measured using a dual-path pulse-echo apparatus. The relative standard uncertainties of the sound speeds are 0.05 %, 0.03 % and 0.01 % at 0.0118, 0.0066 and 0.0015 CO2 mole fractions, respectively. The change in sound speeds as functions of composition, pressure and temperature are analysed in this study. We find that dissolution of CO2 in water increases its sound speeds at all conditions, with the greatest increase occurring at the highest mole fractions of CO2. Our sound speed data agree well with the limited available experimental data in the literature but deviate from the EOS-CG of Gernert and Span by up to 7 % at the lowest temperatures, highest pressures, and highest CO2 mole fraction. The new low-uncertainty sound speed data presented in this work could provide a basis for development of an improved EOS and in establishing reliable predictions of the change in thermodynamic properties of seawater-like mixtures due to absorption of CO2 gas.
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Journal articleHoseinpoori P, Hanna R, Woods J, et al., 2023,
Comparing alternative pathways for the future role of the gas grid in a low-carbon heating system
, Energy Strategy Reviews, Vol: 49, Pages: 1-25, ISSN: 2211-467XThis paper uses a whole-system approach to examine different strategies related to the future role of the gas grid in alow-carbon heat system. A novel model of integrated gas, electricity and heat systems, HEGIT, is used to investigate fourkey sets of scenarios for the future of the gas grid using the UK as a case study: a) complete electrification of heating; b)conversion of the existing gas grid to deliver hydrogen; c) a hybrid heat pump system; and d) a greener gas grid. Ourresults indicate that although the infrastructure requirements, the fuel or resource mix, and the breakdown of costs varysignificantly over the complete electrification to complete conversion of the gas grid to hydrogen spectrum, the total systemtransition cost is relatively similar. This reduces the significance of total system cost as a guiding factor in policy decisionson the future of the gas grid. Furthermore, we show that determining the roles of low-carbon gases and electrification fordecarbonising heating is better guided by the trade-offs between short- and long-term energy security risks in the system,as well as trade-offs between consumer investment in fuel switching and infrastructure requirements for decarbonisingheating. Our analysis of these trade-offs indicates that although electrification of heating using heat pumps is not thecheapest option to decarbonise heat, it has clear co-benefits as it reduces fuel security risks and dependency on carboncapture and storage infrastructure. Combining different strategies, such as grid integration of heat pumps with increasedthermal storage capacity and installing hybrid heat pumps with gas boilers on the consumer side, are demonstrated toeffectively moderate the infrastructure requirements, consumer costs and reliability risks of widespread electrification.Further reducing demand on the electricity grid can be accomplished by complementary options at the system level, suchas partial carbon offsetting using negative emission technologies
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Journal articleBustos-Turu G, van Dam KH, Acha S, et al., 2023,
An agent-based decision support framework for a prospective analysis of transport and heat electrification in urban areas
, Energies, Vol: 16, ISSN: 1996-1073One of the main pathways that cities are taking to reduce greenhouse gas emissions is the decarbonisation of the electricity supply in conjunction with the electrification of transport and heat services. Estimating these future electricity demands, greatly influenced by end-users’ behaviour, is key for planning energy systems. In this context, support tools can help decision-makers assess different scenarios and interventions during the design of new planning guidelines, policies, and operational procedures. This paper presents a novel bottom-up decision support framework using an agent-based modelling and simulation approach to evaluate, in an integrated way, transport and heat electrification scenarios in urban areas. In this work, an open-source tool named SmartCityModel is introduced, where agents represent energy users with diverse sociodemographic and technical attributes. Based on agents’ behavioural rules and daily activities, vehicle trips and building occupancy patterns are generated together with electric vehicle charging and building heating demands. A representative case study set in London, UK, is shown in detail, and a summary of more than ten other case studies is presented to highlight the flexibility of the framework to generate high-resolution spatiotemporal energy demand profiles in urban areas, supporting decision-makers in planning low-carbon and sustainable cities.
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Journal articleYliruka M, Moret S, Shah N, 2023,
Detail or uncertainty? Applying global sensitivity analysis to strike a balance in energy system models
, Computers and Chemical Engineering, Vol: 177, Pages: 1-22, ISSN: 0098-1354Energy systems modellers often resort to simplified system representations and deterministic model formulations (i.e., not considering uncertainty) to preserve computational tractability. However, reduced levels of detail and neglected uncertainties can both lead to sub-optimal system designs. Herein, we present a novel method that quantitatively compares the impact of detail and uncertainty to guide model development and help prioritisation of the limited computational resources. By considering modelling choices as an additional ‘uncertain’ parameter in a global sensitivity analysis, the method determines their qualitative ranking against conventional input parameters. As a case study, the method is applied to a peer-reviewed heat decarbonisation model for the United Kingdom with the objective of assessing the importance of spatial resolution. The results show that while for the optimal total system cost the impact of spatial resolution is negligible, it is the most important factor determining the capacities of electricity, gas and heat networks.
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Journal articleSchick D, Chen Q, Hellfajer L, et al., 2023,
Influence of solvents and salts on CO₂ solubility and the impact on an esterification reaction
, Journal of Chemical and Engineering Data, ISSN: 0021-9568The influence of solvents and salts on the CO2 solubility and the impact on esterification reaction kinetics and equilibrium are of particular interest, e.g., for the esterification of acetic acid with ethanol under the influence of CO2, N-methyl-2-pyrrolidone (NMP), or electrolytes. In this work, the equation of state (EOS) electrolyte Perturbed-Chain Statistical Associating Fluid Theory (ePC-SAFT advanced) was first applied to predict the CO2 solubility in solvent mixtures containing NMP and water with additional electrolytes (NaCl, CsCl). New experimental data on the CO2 solubility in electrolyte solutions were measured by two different static synthetic methods, and the ePC-SAFT predictions matched well with the experimental data. As a result, NMP increased the CO2 solubility, compared to water as the only solvent, while electrolytes caused a salting-out effect on the CO2 solubility in all investigated systems. Further, the kinetics and equilibria of the esterification reaction were studied in the presence of CO2, NMP, and electrolytes. New data were measured by using a high-pressure autoclave with in situ ATR-FTIR spectroscopy, which enabled real-time monitoring of the kinetic profiles. Therein, CO2 and NMP showed a negative effect on the kinetics. However, the additional CO2 in the reaction mixture positively influenced the equilibrium, while NMP had a negative influence. Finally, ePC-SAFT advanced was applied to predict the influence of CO2 and NMP on both kinetics and equilibrium of ethanol esterification using a thermodynamic activity-based kinetic approach. Therein, the experimental findings were successfully predicted by the model without fitting any model parameter to the experimental data. Ultimately, this approach reduces the experimental effort toward screening most suitable reaction conditions for chemical reactions and screening the influence of other compounds on kinetics and equilibria.
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Journal articleWard A, Li K, Pini R, 2023,
Assessment of dual-adsorbent beds for CO2 capture byequilibrium-based process design
, Separation and Purification Technology, Vol: 319, ISSN: 0950-4214We have carried out a model-based assessment of dual-adsorbent beds for post-combustion CO capture, whereby we consider systems in which two distinct adsorbent materials are homogeneously mixed to form a fixed bed adsorber. We have employed an equilibrium-based process model (D-BAAM) to simulate and optimize the process performance of a four-step vacuum swing adsorption cycle for CO capture with a dual-adsorbent bed. We have used the developed framework to screen the performance of 2,850 binary combinations of adsorbents from a database of 76 promising materials for post-combustion capture, which includes zeolites, activated carbons, metal organic frameworks (MOFs) and zeolitic imidazolate frameworks (ZIFs). Through unconstrained purity/recovery process optimization, we determine that only one pure material in a material pair needs to itself satisfy regulatory constraints on CO purity/recovery for post-combustion capture to yield a dual-adsorbent process which satisfies the constraints. For these dual-adsorbent combinations, we have assessed the optimal process performance in the constrained working capacity/energy usage Pareto plane and have identified nine distinct categories of process behavior. Five of these categories have the potential to allow for a reduction in the energy penalty of the separation, as compared to the constituent single-adsorbent processes. We have observed reductions in the energy penalty of the separation of approximately 20%. We contend that such processes may be economically optimal depending on a process specific balance of capital, operating and material costs, and should be investigated in more detail using dynamic process modeling and an associated techno-economic assessment.
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Journal articleHigh M, Song Q, Campbell KLS, et al., 2023,
Layered double hydroxide‐derived copper‐based oxygen carriers for chemical looping applications: oxygen release kinetics and impact of loading on long‐term performance
, Greenhouse Gases: science and technology, Vol: 13, Pages: 505-545, ISSN: 2152-3878Chemical looping with oxygen uncoupling, a variant of chemical looping combustion, requires chemically and physically stable oxygen carriers over long-term redox cycling. Copper-based oxygen carriers are characterised by high oxygen release rates but experience sintering at high temperatures. The use of layered double hydroxides (LDHs), prepared via co-precipitation, as oxygen carrier precursors has been shown to effectively limit deactivation of copper-based mixed metal oxides (MMOs) over extended redox cycling. The LDH-derived MMOs have highly dispersed metal oxide within a stable support; the high dispersion of metals is due to the LDH precursor structure. In this work, a fluidised bed reactor (FBR) was used to study the intrinsic kinetics of oxygen release from CuO/MgAl2O4 oxygen carriers synthesised via the LDH-MMO design strategy. The long-term performance of MMOs with higher loadings of CuO, calcined from LDHs with higher Cu contents, was also investigated using an FBR. The intrinsic kinetics were determined using a kinetic model incorporating an effectiveness factor. By minimising the effects of intra- and inter-particle mass transfer, the activation energy and the pre-exponential factor of the lower loading MMOs were determined to be 51 ± 3 kJ mol−1 and 0.0567 s−1, respectively. All MMOs showed excellent stability over 100 redox cycles in a thermogravimetric analyser. However, the pH during co-precipitation of the LDHs affected the stability of the MMOs in an FBR. The MMOs calcined from LDHs synthesised at pH 9.5 disintegrated during operation, whilst those produced from LDHs synthesised at pH 11 maintained high conversion and physical integrity over 100 redox cycles. © 2023 The Authors. Greenhouse Gases: Science and Technology published by Society of Chemical Industry and John Wiley & Sons Ltd.
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Journal articleCorona JJM, Campbell KS, Fennell PSS, 2023,
Enhancement of iron-based oxygen carriers through alloying with tungsten oxide for chemical looping applications including water splitting
, GREENHOUSE GASES-SCIENCE AND TECHNOLOGY, Vol: 13, Pages: 565-574, ISSN: 2152-3878- Cite
- Citations: 3
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Journal articleSarkis M, Shah N, Papathanasiou MM, 2023,
Characterization of key manufacturing uncertainties in next generation therapeutics and vaccines across scales
, Journal of Advanced Manufacturing and Processing, Vol: 5, ISSN: 2637-403XViral vectors are advanced therapy products used as genetic information carriers in vaccine and cell therapy development and manufacturing. Despite the first product receiving market authorization in 2012, viral vector manufacturing has still not reached the level of maturity of biologics and is still highly susceptible to process uncertainties, such as viral titers and chromatography yields. This was exacerbated by the COVID-19 pandemic when viral vector manufacturers were challenged to respond to the global demand in a timely manner. A key reason for this was the lack of a systematic framework and approach to support capacity planning under uncertainty. To address this, we present a methodology for: (i) identification of process cost and volume bottlenecks, (ii) quantification of process uncertainties and their impact on target key performance indicators, and (iii) quantitative analysis of scale-dependent uncertainties. We use global sensitivity analysis as the backbone to evaluate three industrially relevant vector platforms: adeno-associated, lentiviral, and adenoviral vectors. For the first time, we quantify how operating parameters can affect process performance and, critically, the trade-offs among them. Results indicate a strong, direct proportional correlation between volumetric scales and propagation of uncertainties, while we identify viral titer as the most critical scale-up bottleneck across the three platforms. The framework can de-risk investment decisions, primarily related to scale-up and provides a basis for proactive decision-making in manufacturing and distribution of advanced therapeutics.
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Journal articleWang S, Zhou T, Pan Z, et al., 2023,
Diffusion coefficients of N2O and H2 in water at temperatures between 298.15 and 423.15 K with pressures up to 30 MPa
, Journal of Chemical and Engineering Data, Vol: 68, Pages: 1313-1319, ISSN: 0021-9568The diffusion coefficients of CO2 and H2 in aqueous solutions are important in numerous processes including carbon capture, geological carbon storage, and reservoir storage of hydrogen. As CO2 is reactive in some aqueous solutions, especially aqueous amine solvents for carbon capture, N2O is frequently studied as a surrogate. In this work, the Taylor dispersion technique was used to determine the diffusion coefficients of N2O and H2 at high dilution in water at temperatures between 298.15 and 423.15 K and at pressures up to 30 MPa, with a standard relative uncertainty of 1.6%. The new data are intended to resolve significant discrepancies in the literature. The results confirm that temperature is the most important controlling factor and that the diffusion coefficients are nearly independent of pressure in the region studied. The experimental data were correlated using the Stokes–Einstein equation, with average absolute relative deviations of 0.5% for both systems.
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Journal articleWedler C, Trusler JPM, 2023,
Speed of sound measurements in helium at pressures from 15 to 100 MPa and temperatures from 273 to 373 K
, Journal of Chemical and Engineering Data, Vol: 68, Pages: 1305-1312, ISSN: 0021-9568The speed of sound in helium was measured along five isotherms in a temperature range from 273 to 373 K at pressures from 15 to 100 MPa with a relative expanded uncertainty (k = 2) from 0.02 to 0.04%. A dual-path pulse-echo system was utilized to conduct these measurements. The data were compared with the reference equation of state developed by Ortiz Vega et al. At pressures up to 50 MPa, relative deviations were within the uncertainty of our measurements, while, at higher pressures, increasing negative deviations were observed up to -0.26%. We also compared the results with predictions based on the virial equation of state correct to the seventh virial coefficient, using the ab initio virial coefficients reported recently by Gokul et al., finding agreement to within the experimental uncertainty at all investigated states.
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Conference paperKlink S, Wedler C, Trusler J, et al., 2023,
Fueling the future: Density, viscosity, and speed of sound measurements of Oxymethylethers at temperatures from (298 to 423) K and pressures from (0.1 to 100) MPa
, 22nd European Conference on Thermophysical Properties -
Journal articleZhang Z, Wong JJ, Scott SA, et al., 2023,
Spouted fluidised bed reactor for kinetic measurements of the reduction of Fe2O3 in a CO/CO2 atmosphere part II: An extended random pore model for solid-state diffusion
, CHEMICAL ENGINEERING RESEARCH & DESIGN, Vol: 194, Pages: 597-609, ISSN: 0263-8762- Cite
- Citations: 4
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Journal articleDemirdesen D, Wedler C, Low RE, et al., 2023,
Speed of sound in gaseous 1,1-difluoroethene (R1132a) at temperatures between 193 K and 383 K at pressures up to 3 MPa
, International Journal of Thermophysics, Vol: 44, Pages: 1-15, ISSN: 0195-928XThe speed of sound in gaseous 1,1-difluoroethene (refrigerant R1132a) was measured at temperatures between 193 K and 383 K at pressures up to the lesser of approximately 85 % of the vapour pressure and 3 MPa. The measurements were carried out using a bespoke cylindrical acoustic resonator. The acoustic path length of the resonator was calibrated as a function of temperature by measuring resonance frequencies of the cavity filled with nitrogen gas. The measurements on nitrogen also served to validate the measurement system. The expanded relative uncertainty of the speed of sound in 1,1-difluoroethene at 95% probability was estimated to be 0.021 %. Comparing the results with a preliminary equation of state for 1,1-difluoroethene shows deviations within ± 0.3 %.
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Journal articleO'Dwyer E, Kerrigan E, Falugi P, et al., 2023,
Data-driven predictive control with improved performance using segmented trajectories
, IEEE Transactions on Control Systems Technology, Vol: 31, Pages: 1355-1365, ISSN: 1063-6536A class of data-driven control methods has recently emerged based on Willems' fundamental lemma. Such methods can ease the modelling burden in control design but can be sensitive to disturbances acting on the system under control. In this paper, we extend these methods to incorporate segmented prediction trajectories. The proposed segmentation enables longer prediction horizons to be used in the presence of unmeasured disturbance. Furthermore, a computation time reduction can be achieved through segmentation by exploiting the problem structure, with computation time scaling linearly with increasing horizon length. The performance characteristics are illustrated in a set-point tracking case study in which the segmented formulation enables more consistent performance over a wide range of prediction horizons. The computation time for the segmented formulation is approximately half that of an unsegmented formulation for a horizon of 100 samples. The method is then applied to a building energy management problem, using a detailed simulation environment, in which we seek to minimise the discomfort and energy of a 6-room apartment. With the segmented formulation, a 72% reduction in discomfort and 5% financial cost reduction is achieved, compared to an unsegmented formulation using a one-day-ahead prediction horizon.
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Journal articlePan Z, Trusler JPM, 2023,
Experimental and modelling study of the interfacial tension of (n-decane plus carbon dioxide plus water) in the three phase region
, Fluid Phase Equilibria, Vol: 568, Pages: 1-11, ISSN: 0378-3812The interfacial tensions (IFTs) between hydrocarbon-, water- and CO2-rich phases are important in the processes of carbonated water injection for enhanced oil recovery and carbon geological storage. In this work, the IFTs between decane-rich and water-rich phases, in the presence of the third CO2-rich phase, were measured by the pendant drop method and modelled with the density gradient theory at temperatures from 298.15 K to 353.15 K and at pressures up to the critical point pressure of (CO2 + decane) (maximum 11 MPa at 353 K). The dynamic IFT decreased over time due to CO2 adsorption on the interface and mass transfer into the decane-rich drop until equilibrium was reached. As expected, the equilibrium IFTs were observed to decrease with increasing pressure. At low pressures, the equilibrium IFTs decreased with increasing temperature while, at high pressures, the reverse was observed. By comparing the IFTs of ternary (decane + CO2 + H2O) system with those of binary (decane + H2O) system, it was found that CO2 could reduce system IFT, for example by 15.2 mN/m at T = 333 K and p = 10 MPa. The extent of reduction depends on the solubility of CO2 in the liquid phases and the extent of adsorption at the interface. Furthermore, the equilibrium IFT was found to be linearly dependant on the CO2 concentration in the water-rich phase isothermally, and an empirical relation was developed with an average absolute deviation of 0.3 mN/m. Density gradient theory coupled with the volume translated CPA equation of state was found to provide an accurate description of the IFTs with an average absolute deviation of 0.8 mN/m, proving its capability of predicting IFTs of (alkane + CO2 + water) in the three-phase region. The density profile in the interfacial region is also demonstrated. There is an enrichment of CO2 molecules at the interface and the enrichment is more pronounced with increasing pressure or decreasing temperature.
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Journal articleWedler C, Trusler JPM, 2023,
Review of density and viscosity data of pure fatty acid methyl ester, ethyl ester and butyl ester
, Fuel, Vol: 339, Pages: 1-13, ISSN: 0016-2361Biodiesel fuels consist of a mixture of different fatty acid esters. The thermophysical properties of the fatty acid esters are decisive for combustion and storage. Especially density and viscosity influence, e.g., energy density, spray quality and lubrication in a diesel engine. For some of the fatty acid esters, several studies on thermophysical properties can be found in the literature in a wide pressure and a reasonably wide temperature range. However, for several of the esters, data at high pressures as well as low and high temperatures are missing; for some of them, even data at atmospheric pressure are missing. To develop thermophysical property models, comprehensive sets of experimental density and viscosity data are required. Therefore, this work reviews the available experimental data on density and viscosity of fatty acid methyl, fatty acid ethyl and fatty acid butyl esters. Data gaps present in the literature are illuminated. 16 different esters are considered for each of the three ester families. The homologous series of saturated esters from hexanoate (C6:0) to octadecenoate (C18:0) as well as the unsaturated esters oleate (C18:1), linoleate (C18:2), and linolenate (C18:3) are included. In addition, an overview of generalised models for the description of density and viscosity at elevated pressure is given.
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Conference paperCooper J, Bird M, Acha S, et al., 2023,
The Carbon Footprint of a UK Chemical Engineering Department – The Case of Imperial College London
, The 30th CIRP Life Cycle Engineering Conference, Publisher: Elsevier, Pages: 444-449, ISSN: 2212-8271As the UK strives towards net-zero it is important that all sectors, including Higher Education, take immediate measures to cut their greenhouse gas emissions. The greenhouse gases emitted by different Higher Education institutions are studied and are shown to be large. However, these studies are based on aggregated data, and it is therefore uncertain how effective institute-wide policies to cut emissions are at department level. Herein, we present a generic framework for university departments to calculate their carbon footprint considering Scope 1, 2 and 3 emissions. We estimate the carbon footprint of the Chemical Engineering Department at Imperial College London to be 7,620 and 8,330 tCO2eq in 2018/19 and 2019/20, respectively. Scope 3 emissions account for 54% of the Department's emissions with Scope 1 and 2 accounting for the remaining 46%. Scope 3 emissions are largely driven by purchased goods and travel, while Scope 1 emissions are predominantly from electricity usage.
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Journal articleBikane K, Yu J, Shah SM, et al., 2023,
High pressure CO<sub>2</sub> gasification of Morupule coal: Kinetics and morphological development of chars
, CHEMICAL ENGINEERING JOURNAL, Vol: 462, ISSN: 1385-8947- Cite
- Citations: 12
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Journal articleNguyen HGT, Toman B, van Zee RD, et al., 2023,
Reference isotherms for water vapor sorption on nanoporous carbon: results of an interlaboratory study
, Adsorption, Vol: 29, Pages: 113-124, ISSN: 0929-5607This paper reports the results of an international interlaboratory study sponsored by the Versailles Project on Advanced Materials and Standards (VAMAS) and led by the National Institute of Standards and Technology (NIST) on the measurement of water vapor sorption isotherms at 25 °C on a pelletized nanoporous carbon (BAM-P109, a certified reference material). Thirteen laboratories participated in the study and contributed nine pure water vapor isotherms and four relative humidity isotherms, using nitrogen as the carrier gas. From these data, reference isotherms, along with the 95% uncertainty interval (Uk=2), were determined and are reported in a tabular format.
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Journal articleJoewondo N, Garbin V, Pini R, 2023,
Experimental evidence of the effect of solute concentration on the collective evolution of bubbles in a regular pore-network
, CHEMICAL ENGINEERING RESEARCH & DESIGN, Vol: 192, Pages: 82-90, ISSN: 0263-8762- Cite
- Citations: 6
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Journal articlevan de Berg D, Petsagkourakis P, Shah N, et al., 2023,
Data-driven coordination of subproblems in enterprise-wide optimization under organizational considerations
, AIChE Journal, Vol: 69, Pages: 1-24, ISSN: 0001-1541While decomposition techniques in mathematical programming are usually designed for numerical efficiency, coordination problems within enterprise-wide optimization are often limited by organizational rather than numerical considerations. We propose a “data-driven” coordination framework which manages to recover the same optimum as the equivalent centralized formulation while allowing coordinating agents to retain autonomy, privacy, and flexibility over their own objectives, constraints, and variables. This approach updates the coordinated, or shared, variables based on derivative-free optimization (DFO) using only coordinated variables to agent-level optimal subproblem evaluation “data.” We compare the performance of our framework using different DFO solvers (CUATRO, Py-BOBYQA, DIRECT-L, GPyOpt) against conventional distributed optimization (ADMM) on three case studies: collaborative learning, facility location, and multiobjective blending. We show that in low-dimensional and nonconvex subproblems, the exploration-exploitation trade-offs of DFO solvers can be leveraged to converge faster and to a better solution than in distributed optimization.
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Journal articleIruretagoyena D, Fennell P, Pini R, 2023,
Adsorption of CO2 and N2 on bimetallic Mg-Al hydrotalcites and Z-13X zeolites under high pressure and moderate temperatures
, CHEMICAL ENGINEERING JOURNAL ADVANCES, Vol: 13, ISSN: 2666-8211- Author Web Link
- Cite
- Citations: 10
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Journal articleLeonzio G, Mwabonje O, Fennell PS, et al., 2023,
Corrigendum to “Environmental performance of different sorbents used for direct air capture” [Sustain. Prod. Consum. 32 (2022) 101–111]
, Sustainable Production and Consumption, Vol: 36, Pages: 415-415, ISSN: 2352-5509 -
Journal articleAnto-Darkwah E, Kurotori T, Pini R, et al., 2023,
Estimating Three-Dimensional Permeability Distribution for Modeling Multirate Coreflooding Experiments
, SUSTAINABILITY, Vol: 15- Cite
- Citations: 6
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Journal articleKrevor S, de Coninck H, Gasda SE, et al., 2023,
Subsurface carbon dioxide and hydrogen storage for a sustainable energy future
, NATURE REVIEWS EARTH & ENVIRONMENT, Vol: 4, Pages: 102-118- Cite
- Citations: 254
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Journal articleThaysen EM, Butler IB, Hassanpouryouzband A, et al., 2023,
Pore-scale imaging of hydrogen displacement and trapping in porous media
, INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, Vol: 48, Pages: 3091-3106, ISSN: 0360-3199- Cite
- Citations: 73
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