Increase In Specific Surface Area Research Articles

Effects of indigenous microorganisms on the CO2 adsorption capacity of coal

The adsorption capacity of coal is a crucial criterion for CO2 sequestration in deep unminable coal seams. Previous studies have documented how indigenous microorganisms interact with supercritical carbon dioxide (ScCO2) in coal. But how these interactions affect the adsorption capacity were rarely investigated. In this study, we treated bituminous coal samples with ScCO2-H2O and ScCO2-H2O-microorganism interactions in high-pressure reactors for 120 days at 35 °C and 10 MPa, respectively. After the treatments, we characterized both coal pore types and structures. The comparisons between two different post-treatments indicate that no significant change in coal pore types but notable alterations in pore structures are observed. Specifically, the treated coal with microorganisms exhibits a significant increase in micropore specific surface area (SSA) and surface roughness than the one without them. However, changes in meso/macropore structures and overall pore complexity of the coal sample treated with microorganisms were less pronounced than in coal sample treated with ScCO2-H2O alone. FTIR spectra analysis indicated that the absorption peak intensity of oxygen-containing groups and aliphatic functional groups in the sample treated with microorganisms decreased much more significantly than the sample treated without microorganisms. The CO2 adsorption capacity slightly increased in all treated samples at equilibrium pressures below 2.5 MPa. Above this pressure, the coal sample treated with microorganisms maintained a higher CO2 adsorption capacity, while the sample treated without microorganisms exhibited lower CO2 adsorption capacity compared to untreated coal sample. The increased SSA and the reduced oxygen-containing functional groups of coal after the treatment exerted antagonistic effects on CO2 adsorption. These findings suggest that indigenous microorganisms in coal seams affect CO2 adsorption through antagonistic effects, necessitating site-specific microbial assessments.

Exfoliated Porous Carbon Nitride by Simultaneous Oxidation-Corrosion for Photocatalytic H2O2 Production and Organic Degradation.

Graphitic carbon nitride (g-C3N4) is a fascinating material with potential applications in photocatalysis due to its good chemical stability, high thermal stability, and relative ease of synthesis. In this work, ultrathin g-C3N4 is constructed using a hybridized method, which combines the advantages of thermal and liquid-phase stripping methods. This sample can improve performance in degrading organic pollutants several times, and the highest enhancement efficiency occurs in an alkaline environment. In addition, photocatalytic production of hydrogen peroxide can be increased to 2.6 times that of the bulk sample. These improved properties are due to the increase in specific surface area, the generation of free radicals, and adsorption capacity. This work presents a one-step exfoliation method for bulk g-C3N4 for more surface-active sites and strong redox capacity.

Ethanol recognition based on carbon quantum dots sensitized Ti3C2Tx MXene and its enhancement effect of ultraviolet condition under low temperature

The deteriorating air quality makes it particularly important to detect all kinds of harmful gases in the air. In this study, the Ti3C2Tx MXene/CQDs composite was formed by modifying carbon quantum dots (CQDs) to the surface of Ti3C2Tx MXene, in which the Ti3C2Tx MXene sensitized by CQDs achieved enhanced recognition of ethanol. After a series of characterizations, it was confirmed that CQDs were indeed modified on the surface of Ti3C2Tx MXene. The gas sensing test results show that the sensor based on Ti3C2Tx MXene/CQDs composite exhibits excellent response performance to ethanol, particularly achieving a high response value of 15.38–50 ppm ethanol at the optimal operating temperature of 140 °C. Furthermore, this composite also demonstrates excellent repeatability and a stable response relationship towards ethanol. Finally, it is found by comparison that the recovery time of the sensor under ultraviolet (UV) irradiation is significantly shortened, which further verifies that the sensor has wider application potential under UV condition. The experimental results show that the Ti3C2Tx MXene/CQDs composite significantly improves the efficiency and ability of detecting ethanol by optimization of photoresponsive performance, enhancement of electrical conductivity, and increase in specific surface area. This paper provides practical research methods and ideas for the development of novel sensors based on CQDs and Ti3C2Tx MXene.

Z-Scheme LaFeO3/Cd0.7Zn0.3S heterojunction based on 3DOM LaFeO3 perovskite for enhanced photocatalytic hydrogen activity

The narrow band gap semiconductor LaFeO3 with ABO3 perovskite structure has been deeply studied in the field of photocatalysis due to its good thermal stability, chemical stability, photoelectric properties and suitable band position. The inverse opal structure gives the material a large specific surface area and increases the adsorption area and active site of the catalyst. In this work, it is reported for the first time that perovskite LaFeO3 inverse opal was applied to photocatalytic hydrogen production. The Cd0.7Zn0.3S QDs were deposited on the skeleton wall of LaFeO3 inverse opal to construct LaFeO3/Cd0.7Zn0.3S binary heterojunction catalyst. The LaFeO3 3DOM can effectively increase the contact area with Cd0.7Zn0.3S QDs with an increase in specific surface area, and the multiple scattering effect improves the efficiency of light utilization. The introduction of Zn2+ ions regulate the band gap position of Cd0.7Zn0.3S QDs and increases the thermodynamic reduction ability of photo generated electrons. The Z-type heterojunction effect formed by LaFeO3 inverse opal and Cd0.7Zn0.3S QDs facilitates the separation and transmission of photo generated charges. The LaFeO3/Cd0.7Zn0.3S heterojunction catalysts achieved a hydrogen production performance of 277.48 μmol/g/h due to the large specific surface area of 3DOM, good light capture ability, band gap regulation of element doping, and efficient charge separation synergistic effect of heterojunction. This work provides new insights into the design and manufacture of perovskite-type 3DOM heterojunction photocatalysts.

Active sites regulation and adsorption performance of Al-pillared bentonite for the removal of lead from aqueous phase

Developing an environmentally friendly adsorbent with high adsorption capacity and economic benefits is crucial for the treatment of lead-contaminated wastewater. In this study, active clay (A-bent) and Al pillared acid-activated clay (A-AlPILC) were prepared using natural bentonite as the carrier via acidification and pillar-supported technology. The samples were characterized by X-ray diffraction (XRD), N2 adsorption-desorption experiments, Scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), and X-ray fluorescence spectrometer (XRF). The results showed that the amended clay exhibited an increase in specific surface area (SSA) from 39.37 m2/g to 175.28 m2/g and 245.42 m2/g compared to raw bentonite. The interlayer spacing and total pore volume rose respectively. The adsorption technique achieved an impressive removal rate of 90.6 % for Pb(II). Adsorption data were fitted by adsorption kinetics and adsorption isotherm model. Based on the response surface method (RSM), and analysis of variance (ANOVA) showed that the influence of these variables was significant. The simulation of lead ions showed that the acidic functional groups and ligands promote adsorption more than they inhibit it. Using the density function theory (DFT) calculation, the bentonite cycle model was established to demonstrate the interaction between bentonite and lead, with a binding energy of −0.369 eV. Similarly, the density and energy band structure of the state were computed to explore the mechanism of heavy metal adsorption by clay minerals.

Modulating interfacial Zn2+ deposition mode towards stable Zn anode via bimetallic co-doped coating

Artificial coatings represent the promising means to address the interfacial issues of Zn anode, but it poses a significant challenge to their stability due to the fatigue and resulting cracking of coatings during repeated cycling. Here, a functional coating with the synergistic effect of bimetallic co-doping was developed, which changes the Zn2+ deposition mode to interlayer deposition in coating. The simultaneous doping of Cu2+ and In3+ reduces the pyrrolic N content and enhances the adsorption of Zn2+ in the active sites. Bimetallic co-doping results in an increase in specific surface area and a decrease in pore size, thus providing more active sites. As well as enhanced electrical conductivity, electrons can enter between the coatings, thus promoting redox reactions between the layers. Therefore, it endows surface coating with low polarization and stress buffering simultaneously, which avoids cracking and stripping of coatings during cycling. As a result, the cycle life of CuInZIF-8@Zn||CuInZIF-8@Zn symmetric cell exhibits more than 1200 h at 5 mA cm−2 and 5 mAh cm−2. The CuInZIF-8@Zn anode can match multiple types of cathodes and achieve excellent cycling stability; For instance, it can cycle stably for 3000 cycles when paired with vanadium-based cathode. This work provides a new perspective of artificial coatings towards highly stable Zn anode.

Stepwise oxidation of refractory pyrite using persulfate for efficient leaching of gold and silver by an eco-friendly copper(II)-glycine-thiosulfate system

Chemical oxidation is a promising pretreatment method for refractory pyrite enclosure to enhance Au/Ag extraction. Here, persulfate was employed for stepwise oxidation of a refractory pyrite concentrate with encapsulated Au/Ag: (i) pyrite oxidation began with heating-activation persulfate, where hydroxyl radical (•OH) acted as the primary oxidative species for fast-dissolving pyrite into Fe ions; (ii) pyrite self-dissolved Fe ions were in-suit used as a moderate activator of persulfate to generate •OH for sustainable oxidizing pyrite at room temperature. Mineralogical studies have confirmed that oxidation of the sulfide enclosure (FeS2) significantly reduced the particle size of pyrite, accompanied by pores creation and an increase in specific surface area. The variation of microstructure liberated Au and Ag particles to lixiviants for extraction, significantly improving leaching efficiency in an eco-friendly copper(II)-glycine-thiosulfate system to 92.2 % for Au and 88.6 % for Ag, respectively. This work provides a promising process for separating precious metals from refractory pyrite.

Enhancement effect of potassium ferrate on self-activation: Significant improvement in pore structure and adsorption performance of activated carbon

This work developed a method using bamboo shoot shells as raw material to produce Fe-modified ACs combining self-activation and chemical modification. Adding small amounts (0.5–5 %) of K2FeO4 accelerated the pyrolysis process and CO2 release, and reduced the activation energy and temperature of self-activation reaction. This increased the reaction rate and activation efficiency, ultimately significantly improving the pore structure of ACs. The addition of 3 % K2FeO4 resulted in a substantial increase in specific surface area and pore volume of AC, from 1340 m2/g and 0.72 cm3/g to 2184 m2/g and 1.34 cm3/g, respectively. Additionally, the introduction of K2FeO4 also enabled iron doping on the surface of the ACs. The improvement of pore structure and iron doping further enhanced the adsorption performance of ACs. The adsorption capacities of ACs for arsenate, ibuprofen, and tetracycline were up to 1.64, 1.50, and 2.38 times higher, respectively, than those of ACs prepared through conventional self-activation.

Novel Gas Sensing Approach: ReS2/Ti3C2Tx Heterostructures for NH3 Detection in Humid Environments.

Continuous monitoring of ammonia (NH3) in humid environments poses a notable challenge for gas sensing applications because of its effect on sensor sensitivity. The present work investigates the detection of NH3 in a natural humid environment utilizing ReS2/Ti3C2Tx heterostructures as a sensing platform. ReS2 nanosheets were vertically grown on the surface of Ti3C2Tx sheets through a hydrothermal synthetic approach, resulting in the formation of ReS2/Ti3C2Tx heterostructures. The structural, morphological, and optical properties of ReS2/Ti3C2Tx were investigated using various state-of-the-art techniques, including scanning electron microscopy, transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, zeta potential, Brunauer-Emmett-Teller technique, and Raman spectroscopy. The heterostructures exhibited 1.3- and 8-fold increases in specific surface area compared with ReS2 and Ti3C2Tx, respectively, potentially enhancing the active gas adsorption sites. The electrical investigations of the ReS2/Ti3C2Tx-based sensor demonstrated enhanced selectivity and superior sensing response ranging from 7.8 to 12.4% toward 10 ppm of NH3 within a relative humidity range of 15-85% at room temperature. These findings highlight the synergistic effect of ReS2 and Ti3C2Tx, offering valuable insights for NH3 sensing in environments with high humidity, and are explained in the gas sensing mechanism.

Three-dimensional MOFs confined Anderson-type POMs clusters—Templated fabrication of porous Co-NiMo/Cr2O3 catalyst with superior NH3-SCR catalytic activity

Fabricating ecofriendly and high-performance NOx reduction catalysts is significant but challenging. This study introduces an innovative approach for creating homogeneous and porous Co-NiMo/Cr2O3 composites by employing a POMs@MOFs (POMs = polyoxometalates, MOFs = metal organic frameworks) core − shell template as a precursor and subsequent high-temperature treatment, in which the Anderson-type POMs are confined within the MIL-101 MOFs as secondary building units. The well-organized architecture of NiMo6@MIL-101 made it possible to provide a widely dispersed metal source and later transform into defect-rich catalyst. This confinement strategy allows the prepared Co-NiMo/Cr2O3 catalysts to be uniformly dispersed without aggregation and exposes abundant active sites. It also triggers more electron transfer, producing a strong synergistic effect that results in an increase in specific surface area, Olatt/Otol ratio and the number of acidic sites. Boosted by synergistically multidoping effect, the as-prepared Co-NiMo/Cr2O3 catalyst exhibits superior activity in NOx reduction (95 %, 150 °C), which is 3 times that of Cr2O3 derived from pure MOFs under the same condition. This work may shed the light on the design and fabrication of multifunctional nanoporous metal oxide composites materials and inspire the application of polyoxometalates in NOx removal processes.

Enhanced Low‐Temperature Oxidation Activity of Cu‐Doped Highly Active Pd‐Based Catalysts

AbstractPd‐based catalysts supported on cerium–zirconium (CZ) oxygen storage materials (OSM) have emerged as promising candidates for the catalytic oxidation of CH4 and CO. However, achieving efficient and stable treatment of CH4 and CO in exhaust gases with Pd‐based catalysts remains a long‐term challenge. To address this, we propose a straightforward strategy of doping the supports with Cu to enhance the catalytic performance of Pd/Ce0.4Zr0.5La0.1O1.95 catalysts. Performance tests revealed that the catalytic activity of the Cu‐doped catalysts significantly improved, with T90 (CH4) decreasing from 418–301 °C and T90 (CO) decreasing from 141–113 °C. Notably, the copper‐doped catalysts exhibited enhanced water and sulfur resistance while maintaining excellent thermal stability. The CO conversion decreased by less than 2 % after a thermal deactivation experiment lasting over 100 hours. The reduction in particle size and the increase in specific surface area due to copper doping are key factors contributing to the improved total oxygen storage capacity (OSC). The main reasons for the increase in total OSC are likely the reduced particle size and increased specific surface area.

Surface Nanojunction Enabled by Vapor‐Assisted π‐Conjugation Modification of Carbon Nitride for Enhanced Photocatalytic Water Splitting

The unsatisfied visible light harvesting, slow charge separation, and limited practical surface area of carbon nitride (CN) constrain its performance in photocatalytic water splitting and environmental remediation. Herein, the thermal vapor‐assisted π‐conjugation modification of CN by grafting with p‐aminophenoxy groups was developed to tune the photophysical properties of CN to enhance its photocatalytic activity. Besides extending the light absorption, the surface modification constructed a nanojunction across the depth direction, which leads to facilitated charge separation and transfer. In addition, the thermal vapor modification process thermally etches and trims the pristine CN to be highly holey structure, resulting to >10 times increase in specific surface area. Photocatalysis results showed that the obtained modified CN yielded hydrogen from photocatalytic water splitting at a rate of 7.82 mmol/g/h, over 7‐folds as that of pristine CN, with quantum yield of 3.28% at 400 nm. The π‐conjugation modified CN also demonstrated enhanced photocatalytic environmental remediation application, exemplified by much faster photodegradation of tetracycline hydrochloride. This work provides the thermal vapor surface chemical modification of CN as a promising integrated pathway of multiple favorable photophysical properties towards efficient photocatalysis application.

Modified Cellulose-Based Waste for Enhanced Adsorption of Selected Heavy Metals from Wastewater.

Due to industrial growth and its impact on the environment, the increasing amount of industrial waste requires a comprehensive approach aligned with the principles of sustainable development. The main goals are not only to preserve natural resources but also to encourage innovation in the reuse of waste materials. In an attempt to reduce the problems regarding waste disposal and wastewater treatment in the textile industry, fibrous textile waste was used as a starting material to obtain carbon adsorbents for the removal of pollutants from wastewater. Waste cotton and mixed yarns, mainly consisting of polysaccharide cellulose, were hydrothermally carbonized and activated with KOH to convert them into efficient carbon adsorbents for heavy metal removal from water. Characterization of carbonized material showed that after activation, an increase in specific surface area (up to 872 m2/g) and content of surface oxygen groups (6.04 mmol/g) leads to a higher affinity towards heavy metal ions, especially lead ions, and high adsorption capacity of 19.98 mg/g obtained for activated cotton yarns. The results of this research represent a contribution to the reduction of waste materials by modifying them into adsorbents, while the regeneration of adsorbents is an example of the practical application of polysaccharide-based materials in the purification of wastewater containing various heavy metal ions.

Physical properties of industrially produced carbon nanotube yarns for use in structural nanocomposites

Industrially-produced carbon nanotube (CNT) networks are a promising base for high-performance, continuous CNT nanocomposites, motivating widespread use in research and application development. Floating catalyst chemical vapor deposition (FCCVD) is a scalable, widely-adopted approach for synthesis of CNT networks; however, FCCVD can yield networks with organic impurities which complicate their characterization and processing. Herein, we analyze two varieties of FCCVD-synthesized commercial CNT yarn to explore the effects of densification and purification as they relate to forming infiltrated polymer composites. First, the fluid permeabilities and porosities of neat roving and chemically-stretched CNT yarns (CSYs) are estimated and compared to gas adsorption studies, which suggest high-tenacity CSYs are largely impermeable, leading to dry-core composites when polymer infiltration is attempted. Next, the presence and effects of oxygen-rich amorphous carbon impurities in the CSYs are identified and found to exist at the scale of CNT bundles, wherein the amorphous carbon behaves like a hygroscopic polymer matrix in a composite. Removal of the amorphous carbon phase in a 130%-increase in specific surface area, as quantified by BET analysis, and a statistically significant reduction in tensile properties. We discuss challenges in estimating yarn alignment and crystallinity resulting from these factors, and place our results in context of past studies analyzing intrinsic organic coatings in FCCVD-synthesized CNT networks.

Activating agent-driven hierarchical nano-porous structure in mustard oil-derived carbon soot for supercapacitive application.

In the present paper, activated nano-carbon soot is derived from atmospheric flame combustion of thymol-mustard oil followed by activation with potassium hydroxide (KOH) to produce micro- and mesoporous interiors. Different forms of activated nano-carbon soot are produced by using different weight percentage ratios 1:1, 1:3, and 1:5 of precursor carbon soot (CS) to KOH and named CS11, CS13, and CS15, respectively. An increase in specific surface area and average pore volume is observed with an increase in the amount of KOH with the hierarchical network having balanced micropores as well as mesopores in CS15. The electrochemical performance of prepared activated nano-carbon soot is further investigated by the fabrication of a symmetric electric double-layer solid-state supercapacitor (SC) device utilizing a 6M KOH electrolyte. The CS15-based device displays the highest specific capacitance (Csp) of 226.20 F/g at a current density of 0.5 A/g with energy density (Ed) 31.42 Wh/kg at a power density (Pd) of 250 W/kg. The Csp, Ed, and Pd are found to be higher than activated nano-carbon soot reported in the literature. Further, three-coin cells are fabricated using CS15 which are tested in series combination with yellow light emitting diode (LED) and are found to be able to glow LED for ~ 5min 25s.

Efficient hydrodeoxygenation of cresol by hierarchical porous FLRC-TiO2 nanoflower

The construction of highly efficient and selective hydrodeoxygenation (HDO) catalysts is of great significance for upgrading pyrolysis oil. In this work, nickel and iron-based NiFe(x)/FLRC-TiO2 catalysts with a flower-like radial channel structure were successfully fabricated with a facile strategy. The effects of Ni/Fe molar ratios and operation conditions on the structure, morphology and HDO performance were investigated using p-cresol as model compound. Impressively, the NiFe(x)/FLRC-TiO2 catalysts exhibit a well-defined radial channel structure with an average pore diameter of 27.4 nm and the NiFe(5)/FLRC-TiO2 with appropriate Ni/Fe ratio of 5 exhibits the best HDO performance. Under the conditions of T=275 °C, p=3 MPa, and t=2.5, the conversion rate of p-cresol and the selectivity to the target product MCH reaches 100 % and 97.8 %, respectively, which supresses most of the reported Ni based catalysts. Combining with the structure and morphology charateriazation results, this excellent HDO performance could be ascribed to: (a) the unique flower-like radial channel structure of the catalysts stemmed from FLRC-TiO2 provides more exposed active sites for HDO and fast mass transfer; (b) an appropriate Ni/Fe ratio contributes to the increase of specific surface area and pore volume of the catalyst, which boots the higher catalytic HDO activity; (c) the addition of Fe enhances acidity of catalyst and promotes the hydrodehydration of C–OH to target product MCH, together with the synergistic effect of FeNi metal sites, favoring the higher catalytic HDO activity. The proposed strategy for the preparation of radial channel structure FLRC-TiO2 support can be extended to various other reactions.

Deep enzymatic hydrolysis of bee pollen with multiple enzymes: Improves nutrient release and potential biological activity of bee pollen

Bee pollen has gained popularity among consumers due to its rich nutritional value. However, the stiff pollen wall severely limits the absorption and biological efficacy of the nutrients in bee pollen. In this study, deep enzymatic hydrolysis (ultrasonication + cellulase, pectinase, and Protamex™) was used to break the wall and improve the utilization of bee pollen nutrients. This treatment resulted in a 64.40% reduction in particle size and a 139.72% increase in specific surface area. Soluble sugar, total phenols, total flavonoids, and soluble protein increased by 20.14%, 92.78%, 103.21%, and 37.80%, respectively. Proteomics and Metabolomic analysis revealed a significant increase in the content of 1447 peptides and 44 compounds in the bee pollen post-multi-enzyme deep enzymatic hydrolysis compared to the untreated control group. These findings indicate that the application of ultrasonication + three enzymes, as a multi-enzyme composite deep enzyme wall breaking method, can significantly improve the release rate of bee pollen nutrients and generate a multitude of small molecule polypeptides, thereby enhancing their potential bioactivity. This study provides technical support and theoretical reference for deeply processing bee pollen and developing high-value products.

Mn/CeO2 contains enriched surface lewis acid sites and pore structures accelerated catalytic oxidation of propane at low temperature

The development of highly efficient non-precious metal catalysts for the low-temperature catalytic oxidation of volatile organic compounds (VOCs) is a critical imperative in VOCs control. In this study, a series of highly active CeMnOx catalysts with Mn-doped CeO2 were investigated. The catalysts (WHSV=30,000 mL g−1 h−1) exhibited the highest catalytic propane oxidation activity (T90 = 230 °C) and excellent stability over 600 h, When the Mn:Ce ratio was 2.5. The introduction of Mn doping resulted in modifications to the pore structure of CeO2, leading to an increase in specific surface area and enhanced gas transfer kinetics. Additionally, it induced surface electronic defects and elevated the concentration of acidic sites, thereby facilitating the adsorption and activation of propane. Consequently, these improvements contributed to an enhanced catalytic performance of the catalyst. The in-situ DRIFTS infrared spectra revealed that Mn doping reduced the activation energy of the reaction and facilitated the conversion of acetone groups as well as decomposition of carboxylic acid groups.

Enhancement of physicochemical, in vitro hypoglycemic, hypolipidemic, antioxidant and prebiotic properties of oat bran dietary fiber: Dynamic high pressure microfluidization

To improve the physicochemical and functional properties of oat bran dietary fiber (ODF) and the comprehensive utilization of oat bran, dynamic high-pressure microfluidization (DHPM) was utilized to treat ODF at different pressures. The particle size, physicochemical, functional and probiotic properties of the ODF samples were analyzed to investigate the modification effect of DHPM. After DHPM modification, the microstructure of ODF was broken, the particle size decreased and the specific surface area increased, with the best effect under 420 MPa pressure treatment. The structural breakage and the increase in the specific surface area of ODF may led to the enhancement of its physicochemical and functional properties, and it had greater advantages in terms of the water retention capacity (2.13 ± 0.01 g/g), oil retention capacity (8.46 ± 0.07 g/g), bile salt binding capacity (52.67 ± 1.21 mg/g) and cholesterol binding capacity (1.03 ± 0.02 mg/g). cholesterol binding capacity (1.03 ± 0.02 mg/g). Meanwhile, ODF also remodelled the gut microbiota of the obese population and increased the relative abundance of beneficial bacteria. In conclusion, DHPM treatment effectively enhanced the physicochemical and functional properties of ODF and broadened its applications in the food industry.

Regulating the surface area increase of zero-valent iron (ZVI) during ball milling: A study of the mechanical mechanism and low-carbon milling

This study investigates the effect of milling parameters on the specific surface area (SSA) increase of zero-valent iron (ZVI) powder, which is crucial for its environmental applications. Combining experimental and orthogonal design methodologies, the research explores how the parameters modulate the SSA. The operational factors are analyzed from the perspectives of bead momentum, kinetic energy, and energy efficiency. A regression model is proposed for the precise fabrication of ZVI with predetermined SSA. Furthermore, the study identifies optimized parameters that minimize energy consumption and carbon emissions. The results suggest that the optimal milling time is 10 min, with larger beads (2.0 mm), higher quality beads (0.75 kg), and higher shaft rotational speed (2000 rpm) significantly enhancing SSA. Discrete Element Method (DEM) simulations reveal micro-mechanical interactions, supporting the parameter selection scheme for maximizing SSA. The findings contribute to optimizing the milling process of the ductile ZVI powder for environmental clean-up.