Constant Energy Research Articles

Assessing Drug Product Shelf Life Using the Accelerated Stability Assessment Program: A Case Study of a GLPG4399 Capsule Formulation

Objective: To evaluate and project the shelf life of GLPG4399, an early-phase clinical drug formulation by applying the Accelerated Stability Assessment Program (ASAP) approach. Methods: Forced degradation conditions were implemented to identify the stability-limiting degradation product. The drug and its degradation products were separated using a validated liquid chromatography method. Then, the selected clinical capsule formulation was placed in a glass vial and exposed to accelerated short-term conditions of combinations of high- and low-level heat and humidity in an open state for 5 weeks. The liquid chromatography results were evaluated using the ASAP, which is based on the moisture-modified Arrhenius principle. The resulting data were fitted using a suitable diffusion kinetics method. Results: The developed model was applied to predict the shelf life of the drug product when using clinically appropriate primary packaging (high-density polyethylene container). The derived stability parameters of the moisture-modified Arrhenius equation were the Arrhenius collision frequency, activation energy, and humidity sensitivity constant. The goodness of fit parameters R2 (>0.95) and goodness of prediction Q2 (>0.80) parameters for the selected model were acceptable. The results of the accelerated, short-term stability study were verified against real-time, long-term 12-month data. Conclusions: We demonstrated the application of the ASAP approach to evaluate the shelf life of a GLPG4399 solid capsule formulation. The studied ASAP approach can be extended to evaluate the stability and shelf-life estimations of other early-phase clinical formulations.

Fair Energy Trading in Blockchain-Inspired Smart Grid: Technological Barriers and Future Trends in the Age of Electric Vehicles

The global electricity demand from electric vehicles (EVs) increased by 3631% over the last decade, from 2600 gigawatt hours (GWh) in 2013 to 97,000 GWh in 2023. The global electricity demand from EVs will rise to 710,000 GWh by 2030. These EVs will depend on smart grids (SGs) for their charging requirements. Like EVs, SGs are a booming market. In 2021, SG technologies were valued at USD 43.1 billion and are projected to reach USD 103.4 billion by 2026. As EVs become more prevalent, they introduce additional complexity to the SG landscape, with EVs not only consuming energy, but also potentially supplying it back to the grid through vehicle-to-grid (V2G) technologies. The entry of numerous independent sellers and buyers, including EV owners, into the market will lead to intense competition, resulting in rapid fluctuations in electricity prices and constant energy transactions to maximize profit for both buyers and sellers. Blockchain technology will play a crucial role in securing data publishing and transactions in this evolving scenario, ensuring transparent and efficient interactions between EVs and the grid. This survey paper explores key research challenges from an engineering design perspective of SG operation, such as the potential for voltage instability due to the integration of numerous EVs and distributed microgrids with fluctuating generation capacities and load demands. This paper also delves into the need for a synergistic balance to optimize the energy supply and demand equation. Additionally, it discusses policies and incentives that may be enforced by national electricity carriers to maintain grid reliability and manage the influx of EVs. Furthermore, this paper addresses emerging issues of SG technology providing primary charging infrastructure for EVs, such as incentivizing green energy, the technical difficulties in integrating diverse hetero-microgrids based on HVAC and HVDC technologies, challenges related to the speed of energy transaction processing during fluctuating prices, and vulnerabilities concerning cyber-attacks on blockchain-based SG architectures. Finally, future trends are discussed, including the impact of increased EV penetration on SGs, advancements in V2G technologies, load-shaping techniques, dynamic pricing mechanisms, and AI-based stability enhancement measures in the context of widespread SG adoption.

Enhancing energy control for a hybrid system comprising a wind turbine, diesel generator, and storage systems

The increase in demand for electrical energy has made renewable energy sources, such as wind power, increasingly attractive. However, intermittency and variability represent the major problems of these types of energies. The hybridization of several energy sources allows to have a reliable and efficient supply system. This paper was interested in the control of a hybrid energy system, which includes a wind turbine, storage systems (batteries and super-capacitors) and a conventional diesel generator, with the aim of generating constant power. A control strategy is developed taking into account the various constraints of the hybrid system. Both of storage systems as well as the diesel generator operate according to the modes presented in the supervision algorithm to absorb and compensate the fluctuation of the wind energy and reach to a constant energy flow. The super-capacitor operates before the battery to absorb the power peaks in both charge and discharge modes. The hybrid system is simulated using MATLAB/Simulink software, and the results are provided in order to show the effectiveness of this control strategy.

A Rootless Duckweed-Inspired Flexible Artificial Leaf from Plasmonic Photocatalysts.

The naturally existing leaves are ubiquitous two-dimensional flexible solar-to-chemical conversion systems that can run continuously in a sustainable manner. However, the current artificial photocatalytic systems are unable to achieve this due to the grand challenge in integrating existing photocatalysts in a flexible layout with high conversion efficiency and the ability to function independently. Here, we report on a rootless duckweed-inspired artificial leaf based on a lightweight, flexible, Janus plasmonic nanosheet-integrated sponge. The Janus plasmonic catalytically active nanosheet was made from self-assembled gold nanocube nanoassemblies grown on the porous sponges, which were further coated with an ultrathin palladium layer on one side via a ligand symmetry-breaking method. This sponge-based photocatalytic system is lightweight yet able to float on a water surface and conducts the gas-liquid reaction without auxiliary pumping and mixing devices. In a model reaction of 4-nitrophenol reduction, this floating leaf could achieve 2.5-fold and 65-fold higher efficiency than the corresponding dispersion and precipitation systems, respectively. The film theory is used to explain the sponge-based lightweight solar-to-chemical conversion system in a detailed kinetic and thermodynamic analysis, including the reaction rate constant, activation energy, enthalpy, entropy, Gibbs energy, and equilibrium constant.

Energy–dependent femtosecond LIPSS on germanium and application in explosives sensing

Abstract In this study, we fabricated laser-induced periodic surface structures (LIPSS) on a germanium surface through laser ablation in air using axicon and femtosecond (fs) pulses. This novel approach permitted the nanoscale material processing outcome refinement via an fs Bessel beam. Our investigations aimed at systematically understanding the formation of periodic structures under various experimental conditions, such as (i) different pulse energies ranging from 50 µJ to 1000 µJ at a constant scan speed and (ii) constant energy with different scan speeds (0.1–3 mm s−1). By adjusting the fluences and scan speeds, we were able to identify the parametric space and alter the periodicity of the low-spatial frequency LIPSS and high-spatial frequency LIPSS on germanium, which were analyzed using field emission scanning electron microscopy. An optimal LIPSS formation over a large area of germanium was achieved at an input energy of 250 µJ and a scan speed of 0.75 mm s−1. Additionally, we measured the contact angles of the Ge nanostructures (GeNSs) to demonstrate their hydrophobic nature and non-wetting properties, providing insights into the behavior of LIPSS. Subsequently, the GeNSs were coated with a ∼15 nm thick gold (Au) film using a thermal deposition method. Utilizing these, the surface-enhanced Raman spectroscopy (SERS) technique detected diverse analytes, such as tetryl (an explosive) at a concentration of 50 µM and thiram (a pesticide) at 500 nM. The SERS enhancement factors for tetryl and thiram molecules on GeNSs coated with a 15 nm-thick Au layer were determined to be 2.5 × 104 and 4.2 × 105, respectively.

Characterizing the as-built surface topography of Inconel 718 specimens as a function of laser powder bed fusion process parameters

Purpose The ability to use laser powder bed fusion (LPBF) to print parts with tailored surface topography could reduce the need for costly post-processing. However, characterizing the as-built surface topography as a function of process parameters is crucial to establishing linkages between process parameters and surface topography and is currently not well understood. The purpose of this study is to measure the effect of different LPBF process parameters on the as-built surface topography of Inconel 718 parts. Design/methodology/approach Inconel 718 truncheon specimens with different process parameters, including single- and double contour laser pass, laser power, laser scan speed, build orientation and characterize their as-built surface topography using deterministic and areal surface topography parameters are printed. The effect of both individual process parameters, as well as their interactions, on the as-built surface topography are evaluated and linked to the underlying physics, informed by surface topography data. Findings Deterministic surface topography parameters are more suitable than areal surface topography parameters to characterize the distinct features of the as-built surfaces that result from LPBF. The as-built surface topography is strongly dependent on the built orientation and is dominated by the staircase effect for shallow orientations and partially fused metal powder particles for steep orientations. Laser power and laser scan speed have a combined effect on the as-built surface topography, even when maintaining constant laser energy density. Originality/value This work addresses two knowledge gaps. (i) It introduces deterministic instead of areal surface topography parameters to unambiguously characterize the as-built LPBF surfaces. (ii) It provides a methodical study of the as-built surface topography as a function of individual LPBF process parameters and their interaction effects.

The Investigation of Structural, Optical and Thermal Properties of Nickel Doped CeO2 Integrated PVC Nanocomposite.

PVC nanocomposite (NC) films with cubic CeO2 and Ni-doped CeO2 (NDC) have been prepared using a conventional solution-casting technique. The prepared films were characterized with FT-IR spectrometer, X-ray diffraction (XRD), and scanning electron microscopy (SEM). The optical and thermal properties of the films were evaluated using a UV-visible spectrophotometer and TGA/DSC. The optical study revealed a decrease in optical band gap energies (4.19 to 4.06 eV) whereas the increase in other optical constraints such as optical conductivity, Urbach energy, dispersion energy, refractive index, and dielectric constant of PVC NCs than pristine PVC was observed. The XRD patterns showed the presence of cubic crystalline NDC with a relatively narrower principal diffraction peak in the PVC matrix and the nonexistence of unexpected vibrational peaks in the FTIR spectra of PVC NCs confirmed the successful incorporation of nanostructured CeO2 and NDC into PVC. Thermogravimetric analysis showed the higher thermal stability of NDC/PVC NC than PVC whereas differential scanning calorimetry declared no significant change in the glass transition temperature (Tg) of the NCs. Moreover, a good dispersion of Ni-doped CeO2 nanofiller was noticed in scanning electron micrographs.

The role of flow field dynamics in enhancing volatile organic compound conversion in a surface dielectric barrier discharge system

Abstract This study investigates the correlation between flow fields induced by a surface dielectric barrier discharge (SDBD) system and its application for the volatile organic compound (VOC) gas conversion process. As a benchmark molecule, the conversion of n-butane is monitored using flame ionization detectors, while the flow field is analysed using planar particle image velocimetry. Two individual setups are developed to facilitate both conversion measurement and investigation of induced fluid dynamics. Varying the gap distance between two SDBD electrode plates for three different n-butane mole fractions reveals local peaks in relative conversion around gap distances of 16 mm to 22 mm, indicating additional spatially dependent effects. The lowest n-butane mole fractions exhibit the highest relative conversion, while the highest n-butane mole fraction conversion yields the greatest number of converted molecules per unit time. Despite maintaining constant energy density, the relative conversion exhibits a gradual decrease with increasing distances. The results of the induced flow fields reveal distinct vortex structures at the top and bottom electrodes, which evolve in size and shape as the gap distances increase. These vortices exhibit gas velocity magnitudes approximately seven times higher than the applied external gas flow velocity. Vorticity and turbulent kinetic energy analyses provide insights into these structures' characteristics and their impact on gas mixing. A comparison of line profiles through the centre of the vortices shows peaks in the middle gap region for the same gap distances, correlating with the observed peaks in conversion. These findings demonstrate a correlation between induced flow dynamics and the gas conversion process, bridging plasma actuator studies with the domain of chemical plasma gas conversion.

Harnessing high potential benzothiazole chalcones against dengue virus NS5 protein: A multi-faceted theoretical study through molecular docking, ADME, and DFT

Chalcones bearing tetralone, indanone and benzothiazole cores were synthesized successfully using a general Claisen-Schmidt condensation protocol. The prepared compounds were purified and structurally analyzed by 1H, 13C NMR, and FT-IR techniques. A multi-faceted theoretical approach, combining Density Functional Theory (DFT), molecular docking, and ADME predictions, was employed to evaluate their therapeutic potential. DFT calculations at the B3LYP/def2-TZVP level revealed key electronic properties, with TD3 compound demonstrating the highest chemical reactivity. Molecular Electrostatic Potential (MEP) and Reduced Density Gradient (RDG) analyses provided insights into the compounds' non-covalent interactions and charge distributions. Molecular docking studies against the NS5 protein (PDB: 6KR2) showed superior binding affinities for all three compounds compared to the control ligand SAH, with TD3 exhibiting the lowest binding energy (−8.41 kcal/mol) and theoretical inhibition constant (689.31 nM). ADME predictions indicated favorable drug-like properties with concerns regarding aqueous solubility and potential P-glycoprotein interactions. Toxicity evaluations highlighted challenges, particularly in hepatotoxicity and carcinogenicity. The study identified TD3 as a promising lead compound for Dengue Virus NS5 inhibition, while also emphasizing the need for targeted modifications to address toxicity concerns. This research not only contributes to anti-dengue drug discovery efforts but also provides a robust methodological framework for the theoretical evaluation of similar small compounds in future investigations.

Evaluating extensions to LCDM: an application of Bayesian model averaging and selection

We present a powerful and innovative statistical framework to address key cosmological questions about the universe's fundamental properties, performing Bayesian model averaging (BMA) and model selection. Utilizing this framework, we systematically explore extensions beyond the standard ΛCDM model, considering a varying curvature density parameter ΩK, a spectral index ns = 1 and a varying n run, a constant dark energy equation of state (EOS) w 0CDM and a time-dependent one w 0 w aCDM. We also assess cosmological data against a varying effective number of neutrino species N eff. Our analysis incorporates data from various combinations of cosmic microwave background (CMB) data from the latest Planck PR4 analysis, CMB lensing from Planck 2018, baryonic acoustic oscillations (BAO), and the Bicep-KECK 2018 results.We reinforce the standard ΛCDM model statistical preference when combining CMB data withCMB lensing, BAO, and Bicep-KECK 2018 data against the K-ΛCDM model anddns /d ln k-ΛCDM with a probability > 80%. Whenevaluating the dark energy EOS, we find that this dataset does not exhibit a strong preferencebetween the standard ΛCDM model and the constant dark energy EOS model w 0CDM,with a model posterior probability distribution of approximately ≈ 40%:60% in favour of w 0CDM, while the time-varying dark energy EOS model only holds below 1%probability. We find a similar result also when considering the N eff-ΛCDM model, with asplit probability almost 50%-50% from both our datasets.Overall, our application of BMA reveals that including model uncertainty in these cases does notsignificantly impact the Hubble tension, showcasing BMA's robustness and utility in cosmologicalmodel evaluation.

Dynamics of heat transfer in complex fluid systems: Comparative analysis of Jeffrey, Williamson and Maxwell fluids with chemical reactions and mixed convection

This study addresses the complex dynamics of heat transfer in magnetohydrodynamic (MHD) systems involving Jeffrey, Williamson, Maxwell, and Newtonian fluids, focusing on how chemical reactions, activation energy, porosity, and mixed convection impact fluid behavior. The problem is critical due to the significant influence these factors have on industrial processes and applications involving non-Newtonian fluids. The developed a mathematical model represented by partial differential equations (PDEs), which were solved using similarity transformations and the fourth order Runge-Kutta (R-K) method combined with shooting technique, with MATLAB software facilitating the solution process. The results reveal that variations in magnetic field strength, porosity, and buoyancy force significantly affect fluid velocities, while radiation, Brownian motion, and thermophoresis alter temperature profiles. Furthermore, chemical reaction rates, Schmidt number, relaxation constant, and activation energy influence fluid concentrations. Key findings include that increasing porosity and magnetic field strength generally decreases fluid velocity, while higher radiation and Prandtl numbers reduce temperature. Chemical reactions and activation energy decrease fluid concentrations, with non-Newtonian fluids showing more pronounced effects compared to Newtonian fluids. The novelty of this work lies in its comprehensive analysis of multiple interacting parameters and their combined effects on heat transfer in MHD systems, providing insights that extend beyond previous studies in the literature. This research offers valuable implications for optimizing fluid dynamics in various industrial applications, including food processing, ink formulation, and friction reduction.

DFT study of structural, electronic, magnetic, elastic, and thermoelectric properties of Ta-based half-Heusler alloys CsTaX (X = C, Si, and Ge) for spintronics and thermoelectric technologies

The structural, electronic, elastic, magnetic, and thermoelectric characteristics of three novel Ta-based half-Heusler alloys, CsTaC, CsTaSi, and CsTaGe, have been investigated using the Full-Potential Linearized Augmented Plane Wave (FP-LAPW) method within the density functional theory (DFT). The volume-optimization graphs show that all compounds are stable in the ferromagnetic (FM) phase. Half-Metallicity of these compounds is confirmed by the density of states (DOS) and band structures. The total magnetic moment for CsTaC is 6 μB, and for CsTaX (X = Si, Ge) is 2 μB. The negative pd exchange energy and exchange constants confirm ferromagnetism. The values of Pugh’s ratio (B/G) and Poisson’s ratio (v) reveal that CsTaC is ductile and CsTaX (Si, Ge) is brittle. The thermoelectric response is estimated using the BoltzTraP code, demonstrating that at room temperature, maximum ZT values for CaTaC, CsTaSi, and CsTaGe are 0.99, 0.97, and 0.90, respectively. Consequently, CsTaX (X = C, Si, and Ge) are suitable candidates for spintronic and thermoelectric technologies.

Investigation of structural, elastic, electronic, and optical properties of lead-free double perovskites Cs2XBeBr6 (X = Ge, Sn): a first-principles DFT study.

In this study, the structural, elastic, electronic, and optical properties of Cs2GeBeBr6 and Cs2SnBeBr6 halide double perovskites (HDPs) were investigated using density functional theory (DFT) calculations. Notably, the Tran-Blaha modified Becke-Johnson (TB-mBJ) method was employed to predict indirect band gaps of 2.434 eV for Cs2GeBeBr6 and 2.855 eV for Cs2SnBeBr6. The stability of these compounds in a cubic (Fm-3m) structure was confirmed through formation energy, cohesive energy, tolerance factor, and elastic constants. Furthermore, the ductile nature of the materials was demonstrated through Poisson's and Pugh's ratios. Our optical property analysis, spanning the 0-13 eV energy range, revealed key insights into the dielectric functions, extinction coefficient, electron energy loss, refractive index, optical conductivity, reflectivity, and absorption coefficient. These results highlight the potential of Cs2GeBeBr6 and Cs2SnBeBr6 for future optoelectronic and photovoltaic applications. In this investigation, we employed density functional theory (DFT), implemented using the Wien2k package. The exchange and correlation potentials were treated using the generalized gradient approximation (GGA) and the Tran-Blaha modified Becke-Johnson (TB-mBJ) method. To evaluate dynamic stability, we analyzed the phonon band structures using the CASTEP code.

Nanodosimetric investigation of the track structure of therapeutic carbon ion radiation part 1: measurement of ionization cluster size distributions

At the Heidelberg Ion-Beam Therapy Center, the track structure of carbon ions of therapeutic energy after penetrating layers of simulated tissue was investigated for the first time. Measurements were conducted with carbon ion beams of different energies and polymethyl methacrylate (PMMA) absorbers of different thicknesses to realize different depths in the phantom along the pristine Bragg peak. Ionization cluster size (ICS) distributions resulting from the mixed radiation field behind the PMMA absorbers were measured using an ion-counting nanodosimeter. Two different measurements were carried out: (i) variation of the PMMA absorber thickness with constant carbon ion beam energy and (ii) combined variation of PMMA absorber thickness and carbon ion beam energy such that the kinetic energy of the carbon ions in the target volume is constant. The data analysis revealed unexpectedly high mean ICS values compared to stopping power calculations and the data measured at lower energies in earlier work. This suggests that in the measurements the carbon ion kinetic energies behind the PMMA absorber may have deviated considerably from the expected values obtained by the calculations. In addition, the results indicate the presence of a marked contribution of nuclear fragments to the measured ICS distributions, especially if the carbon ion does not cross the target volume.

Analysis of laser power/scan speed combinations on constant energy density: Correlation of roughness-density and structure-property of additively manufactured Ti-6Al-4 V alloy

Analysis of laser power/scan speed combinations on constant energy density: Correlation of roughness-density and structure-property of additively manufactured Ti-6Al-4 V alloy

Magnetized Accretion onto and Feedback from Supermassive Black Holes in Elliptical Galaxies

We present 3D magnetohydrodynamic simulations of the fueling of supermassive black holes in elliptical galaxies from a turbulent cooling medium on galactic scales, taking M87* as a typical case. We find that the mass accretion rate is increased by a factor of ∼10 compared with analogous hydrodynamic simulations. The scaling of Ṁ∼r1/2 roughly holds from ∼10 pc to ∼10−3 pc (∼10 r g) with the accretion rate through the event horizon being ∼10−2 M ⊙ yr−1. The accretion flow on scales ∼0.03–3 kpc takes the form of magnetized filaments. Within ∼30 pc, the cold gas circularizes, forming a highly magnetized (β ∼ 10−3) thick disk supported by a primarily toroidal magnetic field. The cold disk is truncated and transitions to a turbulent hot accretion flow at ∼0.3 pc (103 r g). There are strong outflows toward the poles driven by the magnetic field. The outflow energy flux increases with smaller accretor size, reaching ∼3 × 1043 erg s−1 for r in = 8 r g; this corresponds to a nearly constant energy feedback efficiency of η ∼ 0.05–0.1 independent of accretor size. The feedback energy is enough to balance the total cooling of the M87/Virgo hot halo out to ∼50 kpc. The accreted magnetic flux at small radii is similar to that in magnetically arrested disk models, consistent with the formation of a powerful jet on horizon scales in M87. Our results motivate a subgrid model for accretion in lower-resolution simulations in which the hot gas accretion rate is suppressed relative to the Bondi rate by ∼(10rg/rB)1/2 .

Refined air-cooled battery sizing process for conceptual design of eVTOL aircraft

Recently, electric vertical takeoff and landing (eVTOL) aircraft have garnered significant interest as a primary mode of transportation in advanced air mobility (AAM). For the conceptual design of eVTOL aircraft, where a broad design space must be explored rapidly, a practical and reliable battery sizing process is essential. This process needs to employ models with low computational cost while comprehensively considering two key factors: voltage drop characteristics and thermal effects. However, existing research on battery sizing mainly relies on constant specific energy or power, neglecting these factors. This oversight can lead to significant discrepancies in battery sizing between the conceptual and detailed design phases. To address these limitations, this paper introduces a refined battery sizing process. Our approach incorporates models for battery voltage drop, heat generation, and a cooling system. A Thevenin equivalent circuit is used to model voltage drop and heat generation, with a novel calibration method developed for accurate predictions of voltage and temperature profiles. An air cooling system is adopted for its simplicity and lightweight design, and a corresponding model is constructed. Applying our process to eVTOL aircraft sizing revealed that incorporating temperature, along with the depth of discharge (DoD) and C-rate, as constraints in battery sizing led to a 4.6 % decrease in specific energy and a 4.2 % decrease in specific power. These findings underscore the importance of considering temperature in battery sizing. Additionally, sensitivity analyses provided insights into which thermal management system, air-cooled or liquid-cooled, is more appropriate for the battery under various operating conditions.

A novel design of the electrostatic storage ring using quadrupole deflector

A novel electrostatic storage ring (ESR) design was created using an electrostatic quadrupole deflector (EQD) and quadrupole doublet lens (QDL). EQD was used to turn the electron beam 90 degrees in order to create an innovative ESR design. The impact of EQD designs on ESR performance was investigated, and the results showed that the performance of ESR was directly affected by the EQD design. The calculations showed that increasing the EQD diameter by 20% led to an enhancement in the electron beam dimensions by 88% for ∆x and 44% for ∆y for the initial angle of the electron beam α = 0.2°. Also, the design achieved its goal of keeping kinetic energy constant, where for an initial kinetic energy of 1000 eV, the difference between the energy of the injected electron beam and the emerging electron beam from the ESR is approximately 1–5 eV, i.e., despite changing the diameter of the EQD, the dimensions of the electron beam improve and the kinetic energy remains constant.

A novel partition function for elementary particles

Three different partition functions are well-known and described in statistical physics. Here, a novel partition function for the description of intra-particular interactions and with this for the mass of particles is presented below. In statistical physics, three different partition functions are already well-established. These are the microcanonical, the canonical, and the macro-canonical partition functions. Here a fourth, novel partition function is added to these already well-established three. Thereby due to the properties of quantum mechanics and superposition, this novel partition function is of fundamental different nature. According to this concept, the new partition function for particles is first defined. The masses and energies of the elementary particles are then calculated using this novel partition function. The energy of an elementary particle is proportional to the mass on the one hand and to the novel partition function on the other. The constant of proportionality with respect to the new partition function is found to be identical with Rydberg constant and Rydberg energy. The relationships found for the proton, the electron, and the sigma particle are then generalized to all elementary particles.

Numerical simulation of seasonal underground hydrogen storage: Role of the initial gas amount on the round-trip hydrogen recovery efficiency

Subterranean structures such as aquifers and depleted gas reservoirs (DGRs) offer a scalable, high-pressure, secure, cost-efficient, and ecologically friendly means of hydrogen (H2) storage. Underground H2 storage (UHS) has emerged as a potential solution to alleviate the imbalance between the fluctuating renewable energy generation and the demand for a constant energy supply. Quantifying the recovery efficiency is of paramount importance in the effort toward large-scale UHS. In this numerical simulation study, we employed a high-resolution grid for the discretization of a synthetic (but realistic) heterogeneous anticline intended as a H2 storage facility, and we assessed the H2 recovery efficiency, and the purity of produced gas associated with UHS in natural reservoirs involving different pre-existing gases and their quantities. All of these studies included an initial phase of cushion gas injection, followed by 4 cycles of H2 storage operations composed of injection-idle-withdrawal periods. The simulation results indicated that the H2 round-trip recovery efficiency RH increased (a) with an increasing number of storage cycles, routinely exceeding 90% and providing evidence of a self-enhancement or self-optimization H2 recovery mechanism and (b) with an increasing amount of pre-existing gas in the storage zone prior to the H2 injections — at the end of the 4-cycle test, the highest RH is associated with a DGR with a pre-existing gas consisting of residual CH4 and additional injected N2, and the lowest RH corresponds to an aquifer with no cushion gas. Conversely, the H2 mass fraction of the produced gas FHQ (a) increased with an increasing number of storage cycles, but (b) decreased rapidly with an increasing amount of pre-existing gas. The presence of a pre-existing gas inevitably leads to severe contamination of the produced H2, which never exceeds 40% in the produced gas, can be as low as 4% in early cycles, and cannot be used as a H2 fuel without gas separation. Aquifer storage without a cushion gas may exhibit the lowest H2 recovery (about 75% in the long run), but yields practically pure H2 that does not require further processing before use. A positive conclusion is that, under the conditions of this study, total H2 losses (including H2 escaping into the caprock, and inaccessible H2 dissolved in the aqueous phase of the formation or remaining in the gas storage zone) are limited and manageable, indicating the technical feasibility of geologic H2 storage.