Weiyang Zhou , Qichi Le , Ye Shi , Qiyu Liao , Zhaoyang Yin , Yanchao Jiang
{"title":"Numerical simulation of gas tungsten arc welding for ZW61 magnesium alloy thin plates","authors":"Weiyang Zhou , Qichi Le , Ye Shi , Qiyu Liao , Zhaoyang Yin , Yanchao Jiang","doi":"10.1016/j.matchemphys.2024.130130","DOIUrl":"10.1016/j.matchemphys.2024.130130","url":null,"abstract":"<div><div>Mg–Zn–Y alloy has become the favorite of magnesium alloy research due to its excellent comprehensive performance and increasingly mature deformation process. For the gas tungsten arc welding (GTAW) process of ZW61 magnesium alloy thin plates, the physical field and microstructure evolution is simulated with the finite volume method and the cellular automata (CA) method in this paper. The flow field results show that the Marangoni force dominates the flow of liquid metal in the molten pool from the center of the molten pool to the edge of the molten pool. The increase in welding speed significantly increases the temperature gradient in the molten pool. In addition, from the results of the stress field, the residual stresses are mainly distributed in the fusion zone (FZ) and heat-affected zone (HAZ). The maximum longitudinal residual stress occurs in the HAZ, about 82 MPa. While the maximum transverse residual stress occurs at the end of the plate, about 104 MPa. Neither exceeds the tensile strength of ZW61 alloy, so no cracks appear in the joint. The temperature gradient of the welded plate and the solidification rate of the molten metal in the molten pool are regulated by adjusting the welding process parameters, to improve the microstructure in the FZ. The minimum average grain size of the FZ is only 29.50 μm under the optimum welding process conditions set in this paper.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"329 ","pages":"Article 130130"},"PeriodicalIF":4.3,"publicationDate":"2024-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142663454","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yongzhi Lan , Rui Yu , Qing Wang , Yile Dai , Jianfeng Dai , Qi zhang
{"title":"Ginkgo biloba-derived biogenic carbon quantum dots modified NiCo-LDH: Significantly enhanced energy density and cycle stability","authors":"Yongzhi Lan , Rui Yu , Qing Wang , Yile Dai , Jianfeng Dai , Qi zhang","doi":"10.1016/j.matchemphys.2024.130135","DOIUrl":"10.1016/j.matchemphys.2024.130135","url":null,"abstract":"<div><div>A significant development in the usage of hydroxides in energy storage applications is the creation of LDH materials with excellent electrical conductivity and structural stability. Due to their poor electrical conductivity, bimetallic layered double hydroxides have weak rate performance and limited cycling ability. To address these issues, carbon quantum dots derived from waste Ginkgo biloba and labeled as GBC were incorporated in the preparation of NiCo-LDH. With the many oxygen-containing functional groups on the surface, GBC increases the composite's wettability while maintaining the LDH lamellar structure. It can also create localized electron-rich regions, which give the material more space and channels for electron transport, improving electrical conductivity and rate performance. Furthermore, GBC is evenly dispersed throughout the LDH skeleton, giving the composites a homogenous surface state that can mitigate the structural collapse issue brought on by the volume change during cycling. The findings demonstrate that by modulating the amount of GBC, NiCo-LDH/GBC-20 performs better electrochemically than NiCo-LDH. The capacity was 276.1 mAh g<sup>−1</sup> at 1 A g<sup>−1</sup>, an 84.1 % improvement over NiCo-LDH. Finally, the energy density displayed by the NiCo-LDH/GBC-20//AC HSC device is 72.5 Wh kg-1 (at 798.7 W kg<sup>−1</sup>), and maintains 78.2 % of its original capacity after 12,000 cycles.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"329 ","pages":"Article 130135"},"PeriodicalIF":4.3,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142663132","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Hsuan-Kai Lin , Xue-Yu Lu , Cian-Yu Hu , Kao-Shu Chuang , Jui-Hsiung Huang
{"title":"Corrosion resistance properties and hydrogen embrittlement protection efficiency of single-layer and multi-layer metal and ceramic films deposited on SS316L substrates","authors":"Hsuan-Kai Lin , Xue-Yu Lu , Cian-Yu Hu , Kao-Shu Chuang , Jui-Hsiung Huang","doi":"10.1016/j.matchemphys.2024.130129","DOIUrl":"10.1016/j.matchemphys.2024.130129","url":null,"abstract":"<div><div>Hydrogen is a promising source of clean energy. However, the tanks used to store hydrogen fuel are prone to hydrogen embrittlement and are thus at risk of stress cracking and catastrophic failure. Accordingly, this study deposited single-layer and double-layer Zr, Al, SiO<sub>2</sub>, Al<sub>2</sub>O<sub>3</sub>, Al@Al<sub>2</sub>O<sub>3</sub>, and Al@SiO<sub>2</sub> films on 316L stainless steel substrates and examined their feasibility as protective coatings by measuring their anti-corrosion properties and hydrogen permeation currents. The results showed that the single-layer Al<sub>2</sub>O<sub>3</sub> film had a higher corrosion resistance than the single-layer SiO<sub>2</sub> film and bare 316L substrate. Among all the coatings, the Al@Al<sub>2</sub>O<sub>3</sub> double-layer coating exhibited the highest protection efficiency of 95 %. Moreover, it showed the lowest hydrogen penetration current density (1.08 x 10<sup>−3</sup> A/cm<sup>2</sup>), the longest hydrogen embrittlement time (16000 s), and the lowest hydrogen content (0.008 mol/cm<sup>3</sup>). In other words, the Al@Al<sub>2</sub>O<sub>3</sub> double-layer coating combined superior corrosion resistance with excellent hydrogen permeation suppression. Consequently, it is a promising material for enhancing the safety and longevity of hydrogen storage tanks in practical applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"329 ","pages":"Article 130129"},"PeriodicalIF":4.3,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142663453","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ahmad Usman , G. Murtaza , Muhammad Younas , Ali Akremi , Ahmad Ayyaz , Haya Alhummiany , Syed Kashif Ali , Kanza Altaf , Hisham S.M. Abd-Rabboh , Sadia Sharif , Q. Mahmood
{"title":"Study of Pr doped nanocrystalline LiCoO2 cathode material for spintronic and energy storage applications: A theoretical and experimental analysis","authors":"Ahmad Usman , G. Murtaza , Muhammad Younas , Ali Akremi , Ahmad Ayyaz , Haya Alhummiany , Syed Kashif Ali , Kanza Altaf , Hisham S.M. Abd-Rabboh , Sadia Sharif , Q. Mahmood","doi":"10.1016/j.matchemphys.2024.130133","DOIUrl":"10.1016/j.matchemphys.2024.130133","url":null,"abstract":"<div><div>In this study, Pr<sup>3+</sup> substituted LiCoO<sub>2</sub> lithium-rich cathode materials were prepared using the sol-gel auto-combustion technique to enhance cycling performance. LiCo<sub>1-x</sub>Pr<sub>x</sub>O<sub>2</sub> samples having Pr concentrations x = 0.00–0.10 were synthesized. X-ray diffraction (XRD) showed a rhombohedral structure with space group R-3m, further verified by the Rietveld refinement. Field emission scanning electron microscopy (FESEM) revealed the presence of distinct and well-defined submicron-scale grains. FTIR spectroscopy confirmed Co–O stretching bonds within 590–560 cm<sup>−1</sup> and revealed peaks at around 560–590, 830–860, and 1320-1480 cm<sup>−1</sup>, which could be attributed to the electrochemical performance of Pr-doped species. Moreover, EDX spectroscopy confirmed the typical elemental peaks of only Co, Pr, and O, confirming the required phase presence. The cyclic voltammetry showed improved reversibility and stability due to Pr doping. The first-principles computations were performed using the lattice constant extracted from XRD measurements. The pure LiCoO<sub>2</sub> with a semiconducting nature became half-metallic due to Pr doping (LiCo<sub>0.84</sub>Pr<sub>0.16</sub>O<sub>2</sub>). The magnetic properties indicate that LiCoO<sub>2</sub> and LiCo<sub>0.84</sub>Pr<sub>0.16</sub>O<sub>2</sub> exhibit positive magnetic order, which shows that these are suitable candidates for spintronic applications. The pure LiCoO<sub>2</sub> revealed intercalation voltages of 4.10–2.73V and a theoretical capacity 40–203 mAh/g. Meanwhile, for LiCo0.84Pr0.16O2, the intercalation voltages and theoretical capacity improved to 4.42–2.85 V and 42 to 211 mAh/g, respectively. The combined experimental and theoretical study suggests that Pr-doped LiCoO<sub>2</sub> is suitable for spintronic applications and energy applications such as composite cathodes.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"329 ","pages":"Article 130133"},"PeriodicalIF":4.3,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142663452","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A novel approach for Tool-Narayanaswamy-Moynihan model parameter extraction using multi-scale neural model","authors":"Marek Pakosta , Petr Dolezel , Roman Svoboda","doi":"10.1016/j.matchemphys.2024.130107","DOIUrl":"10.1016/j.matchemphys.2024.130107","url":null,"abstract":"<div><div>The accurate determination of parameters in the Tool-Narayanaswamy-Moynihan (TNM) model, which describes the viscoelastic behavior of glass-forming materials, is crucial for predicting material responses through various thermal histories. Traditional methods rely heavily on curve-fitting techniques; however, these often fail due to noise in the data. Furthermore, traditional methods are computationally intensive and prone to inaccuracies, particularly when dealing with complex datasets or when the initial parameter guesses are far from optimal; also, they require a skilled personnel.</div><div>In this study, we propose the application of a multi-scale convolutional neural network (MCNN) as a machine learning approach to address these challenges. The MCNN model is trained on a comprehensive simulated dataset encompassing a wide range of TNM parameters, allowing it to learn intricate patterns and dependencies within the data that are difficult to capture with conventional methods. Our results show that the MCNN significantly improves the accuracy of the parameter estimations for <span><math><mi>β</mi></math></span> and <span><math><mi>x</mi></math></span> across the entire spectrum of tested conditions, achieving performance that is not only comparable to, but often surpasses, traditional curve-fitting methods. Furthermore, the MCNN demonstrates superior robustness when initial parameter estimates are suboptimal or when the dataset exhibits significant noise. Although the prediction accuracy for the activation energy <span><math><mrow><mi>Δ</mi><msup><mrow><mi>h</mi></mrow><mrow><mi>∗</mi></mrow></msup></mrow></math></span> and the pre-exponential factor <span><math><mrow><mo>log</mo><mrow><mo>(</mo><mi>A</mi><mo>)</mo></mrow></mrow></math></span> was somewhat lower, the method still provides valuable estimates that can be refined with supplementary techniques.</div><div>This work highlights the potential of machine learning approaches like MCNN to revolutionize the parameter extraction process in complex physical models, reducing the reliance on manual curve-fitting and providing a more automated, scalable solution. We also analyze the primary sources of prediction errors in the MCNN outputs and offer insights into future improvements, including model architecture refinements and the integration of additional physical constraints. Our findings suggest that this approach can be extended to other domains where similar models are employed, paving the way for broader applications of machine learning in materials science.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"329 ","pages":"Article 130107"},"PeriodicalIF":4.3,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142663137","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Preparation of Bi2CrO6/CuO heterostructure nanocomposite to increase methylene blue decomposition under visible light irradiation","authors":"Vida Elyasi, Yaser Shaveisi, Shahram Sharifnia","doi":"10.1016/j.matchemphys.2024.130118","DOIUrl":"10.1016/j.matchemphys.2024.130118","url":null,"abstract":"<div><div>In this study, the Bi<sub>2</sub>CrO<sub>6</sub>/CuO nanocomposite was used for the photocatalytic degradation of methylene blue (MB) under visible light. Nanocomposites with different ratios (1:1, 1:2, 2:1) were synthesized under hydrothermal conditions and investigated for MB removal. Various characterization techniques, including XRD, FT-IR, FE-SEM, BET, DRS, PL, and EDS, were employed to elucidate the physicochemical aspects of the catalysts. The 2:1 nanocomposite ratio was selected as the photocatalyst with the highest removal efficiency (85 %). Four main factors, including initial concentration, solution pH, catalyst dose, and light intensity, were studied using the response surface methodology (RSM) and the Box-Behnken model. Under optimal conditions, the MB removal efficiency reached 90.06 %. Additionally, the effect of oxidizing agents (H<sub>2</sub>O<sub>2</sub>) on the enhanced removal of MB was investigated. The improved photocatalytic performance of the Bi<sub>2</sub>CrO<sub>6</sub>/CuO (2:1) nanocomposite is attributed to visible light absorption, the formation of a <em>p-n</em> heterostructure, efficient charge separation via the S-scheme mechanism, and increased charge carrier lifetime. Moreover, economic calculations showed that the estimated costs for the photocatalytic removal of MB from wastewater are cost-effective.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"329 ","pages":"Article 130118"},"PeriodicalIF":4.3,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142594104","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Waleed A. El-Said , Deia A. El-Hady , Wael Alshitari , Ziya A. Khan , Naeem Akhtar , Yusuke Yamauchi
{"title":"Sulfur-doped g-C3N4/Polycaprolactone nanofibers based smart sensor for 8-hydroxy-2′-deoxyguanosine biomarker monitoring","authors":"Waleed A. El-Said , Deia A. El-Hady , Wael Alshitari , Ziya A. Khan , Naeem Akhtar , Yusuke Yamauchi","doi":"10.1016/j.matchemphys.2024.130120","DOIUrl":"10.1016/j.matchemphys.2024.130120","url":null,"abstract":"<div><div>The compound 8-hydroxy-2′-deoxyguanosine (8-OHdG) is a key byproduct of oxidative DNA damage and is widely recognized as an important biomarker for assessing DNA oxidation levels. This study presents a label-free, low-cost, smart sensor that can improve evaluation, tracking, and survival rates by allowing for an early assessment of cancer. Herein, we fabricate sulfur-doped graphitic carbon nitride (S-gC₃N₄) embedded in polycaprolactone (PCL) for highly efficient monitoring of 8-OHdG. The S-gC<sub>3</sub>N<sub>4</sub> offers functional groups such as sulfur and nitrogen that facilitate strong binding interactions with 8-OHdG. Comprehensive techniques are utilized to investigate the S-gC<sub>3</sub>N<sub>4</sub>/PCL nanocomposite. Interestingly, the S-gC<sub>3</sub>N<sub>4</sub>/PCL nanocomposite demonstrates strong electrochemical responses to the oxidation of 8-OHdG, with a low detection limit across a wide dynamic concentration range (1 nM–50 μM). Additionally, it exhibits good durability, selectivity, reusability, and repeatability. The developed sensor has the potential to quantify 8-OHdG levels in individuals and can be used to evaluate oxidative DNA damage and risk factor for cancer. Furthermore, the S-gC₃N₄/PCL-based sensor is successfully tested to determine 8-OHdG levels in human serum samples.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"329 ","pages":"Article 130120"},"PeriodicalIF":4.3,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142663140","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jiangang Wang , Zhe Wang , Rui Wu , Xin Zhang , Wei Luo , Lei Wang , Jingjing Wang
{"title":"Study on the corrosion resistance of KH570 modified titanium oxide coating synthesized at low temperature on 304 stainless steel","authors":"Jiangang Wang , Zhe Wang , Rui Wu , Xin Zhang , Wei Luo , Lei Wang , Jingjing Wang","doi":"10.1016/j.matchemphys.2024.130126","DOIUrl":"10.1016/j.matchemphys.2024.130126","url":null,"abstract":"<div><div>To address the corrosion susceptibility of 304 stainless steel in chloride-containing environments, we employed a sol-gel method to prepare silica-modified amorphous titanium oxide (TiO<sub>2</sub>) coatings with varying concentrations of KH570. The surface morphology and microstructure of the coatings were characterized using scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), Fourier-transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS). Wettability was assessed through contact angle measurements, while corrosion resistance was evaluated via electrochemical methods and immersion corrosion tests. The results demonstrated that KH570 modification resulted in a more uniform, smoother, and denser coating surface. Notably, Ti–<em>O</em>–Si bonds were detected within the coating structure, with the surface transitioning from hydrophilic (contact angle of 70°) to hydrophobic (contact angle of 122°). However, increasing the concentration of KH570 adversely affected corrosion resistance due to surface roughening and diminished hydrophobicity. Excess KH570 led to incomplete grafting on the TiO<sub>2</sub> particles, resulting in uneven aggregation. Compared to unmodified TiO<sub>2</sub> coatings, the KH570-modified coatings exhibited significantly enhanced hydrophobicity, with the water contact angle of TiO<sub>2</sub> coatings containing 10 vol% KH570 increasing from 70° to 122°. Additionally, the KH570-modified coating demonstrated excellent corrosion resistance, characterized by a corrosion current density of 0.036 μA/cm<sup>2</sup>, which is two orders of magnitude lower than that of the unmodified TiO<sub>2</sub> coating. Furthermore, it exhibited the highest charge transfer resistance, indicating improved electrochemical stability.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"329 ","pages":"Article 130126"},"PeriodicalIF":4.3,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142663493","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Comparison study on the effect of oxygen, nitrogen and hydrogen absorption on phase transformation and mechanical properties of quenched CP Ti and Ti6Al4V alloy","authors":"N. Mguni , M.N. Mathabathe , M.B. Shongwe , A.S. Bolokang","doi":"10.1016/j.matchemphys.2024.130111","DOIUrl":"10.1016/j.matchemphys.2024.130111","url":null,"abstract":"<div><div>Microstructures and mechanical properties of commercial pure Ti and Ti6Al4V metal were studied after water quenching. The nitrogen (N), oxygen (O) and hydrogen (H) analysis was conducted on the quenched samples to establish the effect of impurities on phase transformation and mechanical properties. It was found that despite some negligible increment on the impurities, they could not be attributed to structural change but rather stabilization of the metastable FCC induced by rapid cooling. The formation of the metastable FCC phases was attributed to stresses induced by high cooling rates upon water quenching. Quenching from high temperatures has a significant effect on the crystal structure, microstructure and mechanical properties.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"330 ","pages":"Article 130111"},"PeriodicalIF":4.3,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142721837","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Amin Naifar , Mohamed Bouzid , Yosra ben Torkia , Abdelmottaleb ben lamine
{"title":"Physics statistical analysis of crystal violet adsorption onto activated bamboo fiber powder: Insights from thermodynamic functions","authors":"Amin Naifar , Mohamed Bouzid , Yosra ben Torkia , Abdelmottaleb ben lamine","doi":"10.1016/j.matchemphys.2024.130110","DOIUrl":"10.1016/j.matchemphys.2024.130110","url":null,"abstract":"<div><div>This current research scrutinizes the adsorption behavior of Crystal Violeton Activated Bamboo Fiber Powder (ABFP)for water purification. By leveraging four advanced statistical physics scenarios (Hill framework with single energy, Hill framework with dual-energy, Double-layer framework with single energy and Double-layer framework with dual energy), experimental data is meticulously fitted to elucidate the surface adhesion phenomenon by uncovering its decisive influencing metrics.Four convergence criteria (R<sup>2</sup>, RMSE, AIC and RSS) have been employed to identify the most accurate model while steriographic along with energetic-thermodynamic metrics have been inspected in response to combined effects of temperature and concentration. Major outcomes revealed that the fourth scenario exhibits the most favorable agreement with the measured points. The spatial arrangement factor n varied from 0.58 to 0.75 indicating that the dye retention can occur via two different orientations (parallel and non-parallel) with different percentages. In addition, the adsorption amounts at temperatures of 298, 308 and 318 K were 1403.13, 1365.75 and 1270.79 mg/g, respectively, revealing the exothermicity of crystal violet adsorption onto the pores of Activated Bamboo Fiber Powder. The estimated docking energies were below 40 kJ/mol, suggesting that physical forces primarily govern the surface attachment. Assessment of enthalpy and Gibbs free energy demonstrated that the adsorption process occursfeasibly, spontaneously and is accompanied by heat release. The pore size distribution (PSD) of (ABFP) are determined. Since, the Activated Bamboo Fiber Powder (ABFP) showed promising results for competitive adsorption, thus being of relevance to the industrial sector.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"329 ","pages":"Article 130110"},"PeriodicalIF":4.3,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142663547","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}