Slow Reaction Rate Research Articles

Thermochemical processing for the sustainable disposal of spent filter waste

High-efficiency particulate air filters are widely used for indoor air purification. Spent filter waste (SFW), which can trap infectious and toxic substances, is primarily treated via incineration. This method causes environmental concerns, particularly regarding the generation of carbon dioxide (CO2) and other air pollutants. To cope with these issues, this work proposes the pyrolysis of SFW using CO2 as a sustainable alternative to conventional incineration. The introduction of CO2 enhanced reactivity during pyrolysis, potentially offering a more sustainable process. The SFW consisted of filtered particles and two distinct filter/support layers, and the presence of toxic chemicals and primary polymer constituents was characterized. While CO2 had a minimal impact on enhancing syngas production, owing to its slow reaction rate during SFW pyrolysis, adding a nickel-based catalyst significantly improved CO2 reactivity. This resulted in a 649.7% increase in carbon monoxide (CO) production compared to that in pyrolysis under N2. The potential of this pyrolysis system for reducing CO2 emissions was evaluated against that of conventional incineration. Overall, this study presents a promising method for the pyrolytic conversion of SFW into combustible gases, particularly CO, while leveraging CO2 utilisation to mitigate global warming.

Electrochemical Ammonia Synthesis from Dilute Gaseous Nitric Oxide Reduction at Ambient Conditions

Converting gaseous nitric oxide (NO) to ammonia (NH3) is important because of its environmental and industrial implications. The electrochemical transformation of nitrogen (N2) to NH3 faces several challenges, including a slow reaction rate and low Faradaic efficiency (FE). This study presents an innovative approach by integrating NO elimination and NH3 production by electrochemical gaseous NO reduction reaction (NORR) under ambient conditions. Co and Mo-based catalysts were investigated for the continuous reduction of diluted NO gas (1%) to NH3 within a proton exchange membrane (PEM) cell under ambient conditions. In electrochemical NORR tests conducted without a catholyte, CoMo-NC demonstrated notable NORR performance, achieving an NH3 yield rate of 23.2 × 10−10 mol s−1 cm−2 at −2.2 Vcell and FENH3 of 94.6% at −1.6 Vcell, along with enhanced durability. Notably, this performance represents one of the highest FENH3 achievements for electrochemical gas-phase NO reduction at room temperature.

Designing Tin and Hard Carbon Architecture for Stable Sodium‐Ion Battery Anode

The lack of anodes stability is one among key barriers to the widespread commercialization of sodium‐ion batteries (SIBs). This is attributed to graphite, a well‐known common anode material for a range of commercial batteries including lithium‐ion batteries (LIBs), which limits the insertion of sodium (Na) ions due to their large ionic size. Tin (Sn) has shown its potential as a suitable anode material because it exhibits high capacities in conversion and alloying reactions. However, it endures significant volumetric expansion and slower reaction rates during sodiation. To overcome these challenges, this work presents a novel anode material for SIBs where a 2D layered architecture of Sn with a hard carbon (HC) buffer layer is engineered using physical vapor deposition technique. This novel anode (SnHT/HC) exhibits a high initial capacity of 470 mAhg−1 and an exceptional retention of 438 mAhg−1 after 3000 cycles at 0.2C, with 99 % Coulombic efficiency. SnHT/HC testing at varying fast charge and discharge C‐rate of 5C, 10C, 15C, and 50C has shown promising results. Better electron transport and reduced volumetric changes are perceived to enhance the overall performance of SnHT/HC electrodes.

Manganese-doped liquid metal nanoplatforms for cellular uptake and glutathione depletion-enhanced photothermal and chemodynamic combination tumor therapy

Chemodynamic therapy (CDT) involves the catalysis of in situ overexpressed hydrogen peroxide (H2O2) into highly toxic reactive oxygen species (ROS) to treat tumors. However, the efficacy of CDT is greatly hampered by limited cellular internalization efficiency, ROS scavenging by glutathione (GSH), and slow reaction rate. To overcome the current limitations of CDT, a manganese-doped and polyethylene glycol (PEG)-modified liquid metal (LM)-silica nanoplatform (labeled as Mn-LMOP) with varying stiffness is constructed to achieve synergistic photothermal therapy (PTT) and CDT, which can further induce immunogenic cell death (ICD) in tumors to enhance the anti-tumour effects. Significantly, benefiting from the increased stiffness, the Mn-LMOP nanoparticles (NPs) can enhance cellular uptake and lysosomal escape, and gradually accumulate in tumor sites. Moreover, manganese-doped NPs exhibite good photothermal effects and can rapidly reacte with intratumoral GSH to produce Mn2+, inhibiting GSH-mediated ROS clearance and promoting the efficiency of CDT. This combined treatment strategy can activate the immune response of the tumors, which holds the promise of photothermal/chemodynamic/immune multimodal therapeutic effects. This LM-based nanosystem will provide a paradigm for enhanced CDT/PTT combination anti-tumour efficacy. Statement of significanceChemodynamic therapy (CDT) is a promising drug-free treatment approach characterized by its low invasiveness and minimal side effect. However, CDT encounters challenges such as high levels of glutathione (GSH), low Fenton-like reaction rate, and inefficient cellular uptake in tumor tissues. Here, a manganese-doped liquid metal (LM) nanomaterial was designed to achieve synergistic photothermal therapy (PTT) and CDT. This innovative strategy enhanced cellular uptake by adjusting the mechanical property of nanoparticles (NPs) and facilitated the consumption of GSH, while simultaneously accelerating the Fenton-like reaction rate with the assistance of PTT-mediated hyperthermia. This combined CDT/PTT strategy also activated the immune response within the tumor, demonstrating significant therapeutic potential.

Precise synthesis of cyclopropyl methyl ketone via proton transfer of 5-chloro-2-pentanone driven by hydrogen bonds

The traditional synthesis methods of cyclopropyl methyl ketone (CPMK) have some disadvantages such as low yield, slow reaction rate and unclear catalytic mechanism. To solve these problems, a new strategy is developed to synthesize CPMK from 5‑chloro-2-pentanone (CPE) using 1,8-diazabicyclo[5.4.0]undec‑7-ene (DBU). Experiment results show that the yield of CPMK reached a maximum of 96.5 % in DBU at 40 °C for 30min. The mechanism study shows that the hydrogen bond between DBU and CPE is the key to drive the deprotonation and cyclization of CPE. The hydrogen bond is formed between the N atom on C = N of DBU and the α-H on the methylene group associated with the carbonyl group on CPE. The catalyst DBU is converted into [DBUH]+Cl−, which can be reclaimed and recycled completely. The density functional theory (DFT) calculation confirmed the existence of molecular hydrogen bonds and proved that the hydrogen bond driving force is the key to the reaction. The hydrogen bond driven mechanism provides a new idea for the basic research of cyclization reaction.

Enhancing oil shale pyrolysis using metal-doped carbon quantum dot catalysts: A comprehensive behavioral, kinetic, and mechanistic analysis

Current oil shale extraction technologies face significant challenges, including high heating costs, slow pyrolysis reaction rates, and low efficiency, which hinder effective resource exploitation. To address these issues, this study synthesized three types of metal-doped carbon quantum dot (M/CQD) catalysts—Co/CQDs, Ni/CQDs, and Mn/CQDs—and tested their effects on the pyrolysis of oil shale. The introduction of these catalysts resulted in a notable enhancement of the pyrolysis process, reducing the required activation energy by approximately 40 % and lowering the initiation temperatures for Co/CQDs, Ni/CQDs, and Mn/CQDs by 64 °C, 62 °C, and 94 °C, respectively. Consequently, the yield of shale oil increased significantly by 23.1 %, 13.3 %, and 19.8 % for each catalyst. Kinetic and product analyses indicate that these catalysts facilitate electron transfer from organic molecules, promoting the formation of free radicals and the cleavage of C–C bonds. This enhancement leads to an increased production of short-chain hydrocarbons and a reduction in oxygenates and esters, thereby improving the quality of the shale oil. Further insights from Density Functional Theory (DFT) calculations suggest that the catalysts enhance pyrolysis by promoting the formation of carbocations and synergizing with radicals released from the shale, intensifying the pyrolysis process. This study not only elucidates the catalytic mechanisms that enhance oil shale pyrolysis but also offers a promising approach to overcome technological challenges in shale resource recovery, such as high heating costs and low efficiency, paving the way for more efficient and cleaner shale oil production.

More is not always better. Multiple carbohydrate-binding domains for efficient starch hydrolysis

Lactobacillus amylovorus α-amylase is an endoenzyme with a peculiar starch-binding domain containing five identical family 26 carbohydrate-binding modules (CBM26). To investigate the impact of CBMs on catalytic activity, C-terminally truncated derivatives were constructed. The catalytic domain alone shows low affinity for the substrate and a very slow reaction rate, highlighting the importance of CBMs in maintaining the enzyme's optimal conformation and dynamics for efficient catalysis. CBMs enhance enzyme performance, as indicated by improved catalytic efficiency (kcat/Km). Interestingly, the enzyme variant LaCD3CBM, with three CBMs, exhibits the best catalytic efficiency on soluble starch, outperforming the wild-type amylase, with five CBMs. In the case of insoluble starch, the catalytic domain alone could not hydrolyze it and even adding a CBM, the release of reducing sugars was very inefficient. However, this efficiency was significantly improved by two orders of magnitude for the three-CBM variant and the wild-type amylase. CBMs also played a crucial role in protein thermostability, contributing to a higher melting temperature of the catalytic domain with just a single CBM. Notably, thermostability did not increase with the number of CBMs. In conclusion, spatial arrangement and interactions between the catalytic domain and CBMs significantly influenced enzymatic efficiency with both soluble and insoluble substrates. These interactions optimize enzymatic activity and improve thermostability.

Study on the Continuous Whole Process Preparation of Peptizable Pseudoboehmite by High Gravity Strengthening Reaction of CO2 and Heat Transfer.

The preparation of highly peptizable pseudoboehmite faces challenges such as slow reaction rate, prolonged aging times leading to poor peptization performance, and difficulty in achieving continuous production. In this study, a novel approach was proposed involving a high gravity reactor to enhance carbonation reaction control for pseudoboehmite nucleation, a high gravity steam heating process, and a continuous aging process in pipelines. By coupling these three processes, the continuous whole process production of highly peptizable pseudoboehmite under high gravity conditions was achieved. First, the effect of high gravity reactor enhancement on the reaction and the resulting solid phase was investigated. Second, the impact of aging temperature and time on the solid phase formed at different reaction end points was studied using high gravity and steam heating of the liquid phase. Furthermore, the influence of synthesis conditions on the peptization performance of pseudoboehmite was extensively examined. Finally, the nucleation and growth mechanisms of pseudoboehmite under high gravity conditions were analyzed. It was found that increasing high gravity factor, CO2 gas flow rate, and CO2 content accelerated carbonation reaction rate, promoting pseudoboehmite crystal nucleation. Increasing aging temperature and time facilitated the growth of pseudoboehmite nuclei and improved peptization performance. The high gravity device altered the gas-liquid phase contact state of traditional kettle-type equipment, reducing the reaction time and heating time from minutes to seconds, thus achieving the continuous whole process production of pseudoboehmite with a peptization index of 100% from sodium aluminate solution by kiln flue gas.

Domino Sequence of Ketimization and Electrophilic Amination for an Inverse Aza Intramolecular Morita-Baylis-Hillman Adduct.

Morita-Baylis-Hillman (MBH) reaction, typically catalyzed by a Lewis base, is a popular and useful method for C-C bond formation. Unfortunately, it is limited by a slow reaction rate and has sensitivity toward steric and electronic parameters. Despite tremendous efforts, the versatility of the reaction keeps the quest open for new mechanistic and catalytic pathways. Here, we have reported a Bro̷nsted acid-catalyzed, electrophilic amination (Umpolung of imine) as a method for an inverse Aza Intramolecular MBH adduct in the form of 2-acylindole. Umpolung of imine with nitrogen acting as an electrophilic center has been achieved. Interestingly, the reaction was also shown to occur under catalyst-free conditions also. The expected products of ketimine formation, 6π electrocyclization, or quinoline formation were least/not observed. A large number of examples have demonstrated the reaction strength. β-aryl-substituted acrylate and acrylamide (cinnamates and cinnamides), which are extremely sluggish in conventional MBH chemistry, are the highlights of the developed methodology. The annulated product exhibited keto-enol tautomerism, which was proven by 1H NMR integrals. As an application, another tandem reaction in the form of Michael addition on a highly complex amine was carried out to provide spiro-annulated indole.

Enhanced oxygen evolution reaction performance using amorphous hollow cerium-doped cobalt phosphate derived from ZIF-67 structures

A major obstacle in achieving massive operations water splitting is the slow rate of the anodic reaction. To address this issue, metal phosphates have been extensively employed as efficient materials for the oxygen evolution reaction (OER). In this study, ZIF-67 structures were synthesized in both single-metal and bimetallic forms with different molar ratios of cerium. The structure with the best electrochemical activity ((5 present) cerium doped ZIF-67 ((5)CeZIF-67)) was subjected to a phosphatization process, resulting in the formation of the amorphous and hollow cerium doped cobalt phosphate (Ce-CPO) structure as a novel and highly efficient OER electrocatalyst. To the best of authors knowledge, this is the first report on the synthesis and application of Ce-CPO structure for boosting OER process. This resultant structure exhibited suitable electrochemical performance in the oxygen evolution reaction (OER), achieving an overpotential of 286 mV at a current density of 30 mA cm−2 and a Tafel slope of 74.4 mV decade−1. Furthermore, the final structure demonstrated satisfactory stability during a 10 h operation period. The notable improvement in the Ce-CPO structure was due to the use of a bimetallic framework combined with phosphorus and an amorphous porous structure. The distinctive configuration achieved greatly amplifies the effective surface area, hence improving electron transfer. The findings of this research can contribute to the development of electrodes with improved performance in OER.

ZIF-67 기반의 산소 환원 반응用 촉매 합성을 통한 Zinc-Air Primary Battery의 효율 개선에 관한 연구

Zinc-air batteries are attracting attention nowadays due to their environment-friendliness, stability, and high efficiency. However new catalyst development is necessary for commercialization with a slow reaction rate of ORR (Oxygen Reduction Reaction) occurring in the cathode and low efficiency compared to the price of Pt/C catalysts. This study produced a catalyst based on the ZIF-67 (Zeolic Imidazolate Framework-67) to compensate for this, and the effects of PVP addition, carbonization, and sulfidation on the catalyst efficiency were confirmed in the ZIF-67 synthesis process. As a result of the analysis, when 0.52 mmol of PVP was added and carbonization and sulfidation processes were performed, high efficiency, high driving force, stability, and life comparable to Pt/C catalyst were shown. Therefore, the ZIF-67-based oxygen reduction reaction catalyst is expected to contribute to the commercialization of Zinc-air batteries by replacing the existing Pt/C catalyst.

Constructing p-n heterojunction in CoO@TiO2 photocatalytic material to enhance the performance of catalytic degradation of Rhodamine B

Traditional Fenton reactions suffer from slow reaction rates and energy wastage degrade dye contaminant. By constructing a heterojunction interface between quantum dots and titanium dioxide, a CoO@TiO2 photocatalyst is prepared to extend the photoresponse range to longer wavelengths. Under infrared light irradiation, RhB is degraded by over 97 % after 120 min. CoO@TiO2 possesses a large surface area, loaded with a substantial amount of quantum dots, forming a p-n heterojunction, significantly enhancing the photocatalytic rate. This study provides a new approach for the efficient preparation of photocatalysts for the degradation of organic dye pollutants.

Evolution mechanism of interfacial multi-layer intermetallic compounds and failure behavior in the Al–Au wire bonding

Evolution mechanism of interfacial multi-layer intermetallic compounds (IMCs) and their impact on failure behavior in Al–Au wire bonding after thermal storage and thermal cycle process are investigated. Microstructural analysis shows that multi-layer IMCs form between the Al wire and barrier layer. After thermal storage and thermal cycle process, the Au8Al3 layer transforms into AuAl2, and Au pad transforms to a thicker layer containing Au2Al and AuAl. Thermodynamic analysis indicates that Au8Al3, Au2Al, AuAl, and AuAl2 have increasing stability. Small-size, equiaxed AuAl2 grains form due to high stored energy, while large-size, columnar Au2Al and AuAl grains result from slower reaction rate and limited recrystallization. The stack-like formation of AuAl2 grains is attributed to the balance between driving force and interfacial energy resistance. During thermal storage, thicker IMC layers cause cracking between IMC layers and Au pad, and micro voids form near the IMC layers/barrier layer interface due to Kirkendall effect. Thermal stress results show that plastic deformation of the Al layer slightly affects the thermal stress in other layers during the thermal cycle process. The cyclic stress at the interface with initial cracks ranges from −157 MPa to 114 MPa, facilitating crack propagation. Additionally, micro void grows under cyclic thermal input, weakening interface adhesion. Therefore, bond strength decreases and frequency of bonding lift-off with cracking along the IMC layers/barrier layer interface increases after thermal storage and thermal cycle process. These results provide the guidance for regulating the interfacial IMCs and predicting the thermal stress in Al–Au wire bonding.

Microbial degradation of paddy (Oryza sativa) straw by submerged state fermentation

This study elucidates the effective lignocellulose degrading potential of microbial consortium by using paddy straw as the sole source under submerged fermentation conditions. Straw degradation was enhanced by bioaugmentation procedures where consortia of isolated and standard cultures resulted in maximum enzyme activities of endoglucanase (1 U/ml), exoglucanase (1.31 U/ml), β-glucosidase (2.42 U/ml), xylanase (12.63 U/ml) and manganese peroxidase (5.43 U/ml) after 28 days of incubation along with laccase (4.36 U/ml) and lignin peroxidase (6.71 U/ml) after 21 days of incubation. By the action of consortium, maximum reduction of cellulose, hemicellulose and lignin was found to be 35.31, 22.50 and 44.72%, respectively after 28 days of incubation. A significant increase in percentage loss in dry matter of paddy straw was observed till 4 weeks of fermentation. Field emission scanning electron microscope (FE-SEM) micrographs revealed sufficient loosening of cellulose and hemicellulose showing successful degradation of straw tissue. Overall, the above stated findings emphasize on potential of lignocellulosic microorganisms to be used as an alternative to traditional stubble burning practice. Although, these extracellular enzymes are well equipped in breaking down lignocelluloses to their monomeric or oligomeric subunits, but they may not be exploited at commercial level due to very slow rate of reaction. The efficacy of these cultures for straw degradation in field condition further needs elaborative experimental trials as environmental parameters are quite variable in the field.

Nano-photosensitizers with gallic acid-involved Fe–O–Cu “electronic storage station” bridging ligand-to-metal charge transfer for efficient catalytic theranostics

NH2-MIL-88B (Fe) (MOF) is a promising photocatalytic material for antitumor therapy because of its distinctive electronic structure. However, inadequate separation of photo-generated electrons and slow reaction rate in low/high-valence iron (Fe) cycles limit their clinical application. In the present study, “electronic storage station” as a ligand-to-metal charge transfer bridge bond was constructed to inhibit recombination of electron/hole under 650 nm laser irradiation. Cupric (Cu) ions and gallic acid (GA) were self-assembled into a MOF (denoted as CGMOF) to create an FeO(GA)Cu bridge bond. GA, characterized by robust electron delocalization and abundant electron-donating groups, significantly enhances electron transfer efficiency for photodynamic therapy (PDT). CGMOF can respond to endogenous glutathione and release cuprous ions, accelerating the iron ion/ferrous ion cycles for chemodynamic therapy (CDT). The released Fe species can serve as T2-weighted magnetic resonance imaging contrast. Extended X-ray absorption fine structure spectra confirmed the presence of GA-containing FeOCu bonds in CGMOF. Furthermore, a series of photo-electrochemical tests confirmed that the formation of FeO(GA)Cu bond prominently elevated the redox capacity and increased the carrier density of CGMOF by 2.74-fold compared to that of MOF. In addition, cinnamaldehyde was grafted onto CGMOF for tumor-responsive hydrogen peroxide self-supply. Concurrently, hyaluronic acid was surface-modified to achieve the targeted delivery of nano-photosensitizers. In summary, this study presents an innovative approach for engineering Fe-based metal–organic frameworks for synergetic PDT/CDT applications.

Carbon dioxide capture by aqueous glucosamine solutions: Pilot plant measurements and a theoretical study

AbstractA comprehensive investigation of the potential of aqueous glucosamine solutions as an eco‐friendly solvent for CO2 capture was performed. It includes an experimental study in a pilot plant setup and a theoretical analysis with a rate‐based model. The model was validated against the measured column profiles of temperature and CO2 concentration in both liquid and gas phases. Model‐based parameter sensitivity studies revealed inherent challenges for an effective absorption process. A slow reaction rate and suboptimal chemical equilibrium conditions were identified as key limitations, restricting the absorption efficiency and CO2 loading capacity of the glucosamine solution. Furthermore, an analysis of the dissociation constant of this novel absorbent was performed and its significance with respect to the (limited) performance, capability, and efficiency evaluation was highlighted.

Defect-rich carbon nanosheets promoting power density of lithium-ion capacitors in redox electrolyte system

The introduction of redox additives, for example lithium iodide into the catholyte of lithium-ion capacitors can achieve capacity matching between the cathode and anode through the additional capacity provided by the redox reaction. However, the relatively slow redox reaction rate exacerbates the issue of kinetic imbalance between the cathode and anode during charging and discharging process, resulting in reduced coulombic efficiency and power density of lithium-ion capacitors. Herein, we doped carbon nanosheets with NH3 followed by high temperature treatment to obtain carbon nanosheets with rich defects. Theoretical calculations show that defect sites have a mild adsorption effect on iodide. Moreover, the electrochemical evaluation reveals that the defect structure can promote the redox reaction kinetics, thus increasing the electrochemical performance, especially power density of lithium-ion capacitors in the redox electrolyte system.

Olivine nanoparticles for Fast Atmospheric CO2 capture at Ambient Conditions

AbstractTo mitigate climate change, CO2 sequestration from the atmosphere is being considered as a method to reduce its greenhouse effect and subsequently lower the Earth's surface temperature. A promising approach is the storage of CO2 in minerals, of which Olivine is a promising candidate due to its Earth abundance and high CO2 absorption capacity, which is of the order of 50 wt.%. A bottleneck for Olivine carbonation is the slow reaction rate at ambient conditions, which previously resulted in supplying CO2 at extreme pressures and temperatures to force carbonation. In this study, nanoscale Olivine particles are fabricated, which due to their high surface‐to‐volume ratio, reach a very high carbonation conversion at a time scale of minutes at ambient conditions. The carbonation is measured by X‐ray photoelectron spectroscopy (XPS), which yielded both the presence of carbonates as well as information on the Olivine oxidation state, in agreement with electron diffraction analysis. This work forms the basis for employing Olivine nanoparticles, as fabricated by the relatively simple method of magnetron sputtering, to capture CO2 from the atmosphere at economic conditions.

Study on Catalytic Degradation Efficiency and Mechanism of Ofloxacin Using Titanium Composite Electrode

Ofloxacin (OFX) is a third-generation fluoroquinolone antibiotic widely used to treat respiratory diseases and infections. Due to improper discharge treatment, it can be detected in a variety of aquatic environments such as pharmaceutical wastewater and surface water. In addition, ofloxacin is not easily biodegradable, has toxic effects on aquatic organisms and crops, and cannot be fully removed by conventional treatment. Therefore, it is an important research topic to find effective ways to degrade ofloxacin and reduce its harm to human body and environment. Photocatalysis is a technology that uses solar energy to convert light energy into chemical energy, which can effectively remove refractory organic matter in water environment. The single photocatalytic technology has the problems of low conversion of light energy and slow reaction rate, but the photocatalytic technology can reduce the photogenerated carrier recombination by introducing an external electric field, so as to improve the energy utilization rate and reaction rate. In this paper, Ti/SnO2-Sb (TSSA) electrode material coupled particle electrode was used to realize the treatment of ofloxacin in wastewater containing antibiotics, and the introduction of particle electrode into photoelectric catalysis was explored, and the coupling system was constructed to enhance its catalytic performance.

Machine learning insights into prediction of H2 gravimetric capacity in Mg-based pure metal alloys

Hydrogen is emerging as a crucial clean energy carrier, but storage challenges remain. Magnesium has the highest hydrogen storage capacity among metals, yet its high thermodynamic stability, desorption temperature, and slow reaction rates hinder practical use. Identifying suitable metal alloys for magnesium remains challenging. This study employs ML-framework with 13 inputs to predict H2 storage and release capacity (2 outputs) in Mg-based alloys, with database comprises 792 storage and 279 release observations. Linear-models initially performed poorly, leading to the development of nonlinear models such as tree ensembles, kernel based methods, and neural networks. After hyperparameter tuning with 5-fold cross-validation, an ANN with Bayesian regularization achieved higher accuracy in predicting hydrogen gravimetric capacity (R2 = 0.86 for storage, R2 = 0.93 for release for test data). With this model, post-analysis revels key-factors influencing hydrogen uptake are particle size, Mg composition, and pressure, while temperature and time significantly affect hydrogen release. Finally, this study identifies operating ranges for these factors, providing insights for improving/accelerating Mg based hydrogen storage materials development.