Iranian Journal of Science and Technology, Transactions A: Science最新文献

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Bicomplex Matrix Factorizations and Applications 双复矩阵分解及其应用
IF 1.4 4区 综合性期刊
Iranian Journal of Science and Technology, Transactions A: Science Pub Date : 2026-01-23 DOI: 10.1007/s40995-025-01948-1
Ajit Kumar, Shruthi Subhash, Vikram Aithal
{"title":"Bicomplex Matrix Factorizations and Applications","authors":"Ajit Kumar,&nbsp;Shruthi Subhash,&nbsp;Vikram Aithal","doi":"10.1007/s40995-025-01948-1","DOIUrl":"10.1007/s40995-025-01948-1","url":null,"abstract":"<div><p>Bicomplex numbers, with their commutative structure and idempotent representation, offer a tractable alternative to quaternions in hypercomplex analysis and have attracted interest in recent years. This work fills a gap about bicomplex matrix factorizations like LU, QR, Cholesky and the SVD factorizations. We explore the Cauchy–Schwarz inequality which uses the partial order in hyperbolic numbers. By exploiting the idempotent representation, we also look at the pseudoinverse of bicomplex matrices and Sylvester’s matrix equation. We simplify analysis and highlight emerging applications, opening pathways for further research in bicomplex linear algebra.</p></div>","PeriodicalId":600,"journal":{"name":"Iranian Journal of Science and Technology, Transactions A: Science","volume":"50 3","pages":"1133 - 1146"},"PeriodicalIF":1.4,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147863198","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Propagation of Electrostatic Electron Waves in a Quantum Plasma 静电电子波在量子等离子体中的传播
IF 1.4 4区 综合性期刊
Iranian Journal of Science and Technology, Transactions A: Science Pub Date : 2026-01-16 DOI: 10.1007/s40995-025-01937-4
Ahmad Mehramiz
{"title":"Propagation of Electrostatic Electron Waves in a Quantum Plasma","authors":"Ahmad Mehramiz","doi":"10.1007/s40995-025-01937-4","DOIUrl":"10.1007/s40995-025-01937-4","url":null,"abstract":"<div><p>This article presents a derivation of the dispersion equation for electrostatic electron waves in a non zero-temperature quantum plasma. Using a system of quantum hydrodynamic equations, we obtain a general quadratic dispersion equation. We analyze the solutions of this equation, focusing on modifications induced by quantum effects and magnetic fields for both parallel and perpendicular wave propagation modes. Finally, we present numerical calculations on obtained analytical results and compare them for two different plasmas.</p></div>","PeriodicalId":600,"journal":{"name":"Iranian Journal of Science and Technology, Transactions A: Science","volume":"50 4","pages":"1575 - 1580"},"PeriodicalIF":1.4,"publicationDate":"2026-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148433460","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
N-Doped Fluorescent Organic Probes: Facile Synthesis and Multifunctional Applications in TNX Sensing, Wastewater Treatment, and Luminescent Films n掺杂荧光有机探针:简便合成及其在TNX传感、废水处理和发光薄膜中的多功能应用
IF 1.4 4区 综合性期刊
Iranian Journal of Science and Technology, Transactions A: Science Pub Date : 2026-01-12 DOI: 10.1007/s40995-025-01947-2
Muhammad Atif, Zaman Ashraf, Farhat Yasmeen, Muhammad Ishaq, Muhammad Iqbal, Muhammad Arif, Zeenat Haq, Yasir Hayat Qayyum
{"title":"N-Doped Fluorescent Organic Probes: Facile Synthesis and Multifunctional Applications in TNX Sensing, Wastewater Treatment, and Luminescent Films","authors":"Muhammad Atif,&nbsp;Zaman Ashraf,&nbsp;Farhat Yasmeen,&nbsp;Muhammad Ishaq,&nbsp;Muhammad Iqbal,&nbsp;Muhammad Arif,&nbsp;Zeenat Haq,&nbsp;Yasir Hayat Qayyum","doi":"10.1007/s40995-025-01947-2","DOIUrl":"10.1007/s40995-025-01947-2","url":null,"abstract":"<div><p>An efficient, tunable, and multicolor-emitting fluorescent organic probe with an average crystalline size of 80.94 nm was synthesized from α-resorcylic acid with a short-chain passivating agent via a one-step solvothermal method. UV/visible spectroscopy, Photoluminance (PL), Fourier transform infrared spectroscopy (FTIR), Energy dispersive X-ray (EDX) analysis, X-ray powder diffraction (XRD), and Scanning electron microscope. (SEM) proved the fabrication and characterization of a fluorescent organic probe. UV–visible and PL indicated the luminance behavior of the fluorescent organic probe, while FTIR confirmed the functional groups present in the material. EDX confirmed the presence of C and N atoms, while XRD analysis revealed a broad peak at 2θ = 23° that the carbon core was composed of graphitic clusters. The SEM confirmed the triangular geometric morphology of the fluorescent organic probe. The relative quantum yield was measured to be 3.1%. The quenching efficiency (QE) of tenoxicam was observed to be 55.7%, owing to the presence of a thiophene ring. Furthermore, the fluorescent organic probe/TiO<sub>2</sub> composite exhibited better photocatalytic performance for degrading 10 ppm MG dye solution than TiO<sub>2</sub> by degrading 90.2%. Multicolor luminescent phenomena in the solid state were observed in polymeric thin films, which have gained significant interest in the field of device applications. This organic nanolight has attracted significant interest in sensory, chemical, and biological fields.</p></div>","PeriodicalId":600,"journal":{"name":"Iranian Journal of Science and Technology, Transactions A: Science","volume":"50 3","pages":"1001 - 1015"},"PeriodicalIF":1.4,"publicationDate":"2026-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147863172","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Experimental Investigation of the Applied Voltage Influence on the Consumed Power of Surface DBDs with Different Dielectric Barrier Materials 外加电压对不同介质阻挡材料表面dbd消耗功率影响的实验研究
IF 1.4 4区 综合性期刊
Iranian Journal of Science and Technology, Transactions A: Science Pub Date : 2026-01-12 DOI: 10.1007/s40995-025-01949-0
Soolmaz Jamali, Ameneh Kargarian
{"title":"Experimental Investigation of the Applied Voltage Influence on the Consumed Power of Surface DBDs with Different Dielectric Barrier Materials","authors":"Soolmaz Jamali,&nbsp;Ameneh Kargarian","doi":"10.1007/s40995-025-01949-0","DOIUrl":"10.1007/s40995-025-01949-0","url":null,"abstract":"<div><p>This study investigates the influence of applied voltage and dielectric material on the power consumption of Surface Dielectric Barrier Discharge (SDBD) systems. Three SDBD configurations, employing Alumina, Quartz, and Mica as dielectric barriers, were examined. The power consumption was accurately quantified using the Lissajous method by monitoring the charge-voltage characteristics to evaluate how dielectric properties affect discharge behavior under varying voltages ranging from 3 to 8 kV. The results indicate that power consumption rises with increasing voltage for all configurations, with the rate of increase strongly dependent on the dielectric material. These differences are attributed to variations in dielectric constant, thermal conductivity, and charge storage capacity, which govern discharge dynamics and energy transfer efficiency. The findings offer a comprehensive understanding of the interplay between applied voltage, dielectric properties, and energy demand in SDBD systems, providing valuable guidance for optimizing plasma-assisted surface treatment applications.</p></div>","PeriodicalId":600,"journal":{"name":"Iranian Journal of Science and Technology, Transactions A: Science","volume":"50 3","pages":"1239 - 1247"},"PeriodicalIF":1.4,"publicationDate":"2026-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147863203","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Multiple Solitons Solutions, Conserved Vectors and Other Solutions of an Extended Fourth-Order Equation for the Shallow Water Waves 浅水波扩展四阶方程的多重孤子解、守恒向量及其他解
IF 1.4 4区 综合性期刊
Iranian Journal of Science and Technology, Transactions A: Science Pub Date : 2026-01-09 DOI: 10.1007/s40995-025-01935-6
T. Goitsemang, B. Muatjetjeja, T. G. Motsumi, A. R. Adem
{"title":"Multiple Solitons Solutions, Conserved Vectors and Other Solutions of an Extended Fourth-Order Equation for the Shallow Water Waves","authors":"T. Goitsemang,&nbsp;B. Muatjetjeja,&nbsp;T. G. Motsumi,&nbsp;A. R. Adem","doi":"10.1007/s40995-025-01935-6","DOIUrl":"10.1007/s40995-025-01935-6","url":null,"abstract":"<div><p>This work aims to implement solitary wave ansatz methods to carry out the integration of an extended (3+1)-dimensional integrable fourth-order nonlinear equation which occurs in the study of shallow water waves. Other analytical solutions via the symmetry method are also derived. The extended (3+1)-dimensional integrable fourth-order nonlinear equation investigated in this work is more physical meaningful due to the presence of the three dissipative terms. These three terms signify dissipative mechanism in the <i>x</i>-direction, <i>y</i>-direction and <i>z</i>-direction depending on the sign of <span>(kappa , delta )</span> and <span>(sigma )</span>, respectively. The results derived in this work are new and cannot be reachable anywhere in the literature. The conditions under which the solitary solutions exist are outlined. The dynamic performances of the derived solutions are displayed graphically to represent the physical interpretations. Moreover, the multiplier approach will be employed to derive local conserved vectors.</p></div>","PeriodicalId":600,"journal":{"name":"Iranian Journal of Science and Technology, Transactions A: Science","volume":"50 3","pages":"1211 - 1223"},"PeriodicalIF":1.4,"publicationDate":"2026-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147863201","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mineralogy, Fluid Inclusion and Sulfur Isotope Constraints on the Kishan Carbonate-Hosted Pb–Zn Mineralization, Western Iran 伊朗西部基山碳酸盐岩铅锌成矿的矿物学、流体包裹体和硫同位素约束
IF 1.4 4区 综合性期刊
Iranian Journal of Science and Technology, Transactions A: Science Pub Date : 2026-01-06 DOI: 10.1007/s40995-025-01944-5
Meysam Khoddam, Mohammadreza Jaafari, Abbas Askari, MohammadAli Aliabadi, Ahmad Hosseinkhani, Tayebeh Ramezani
{"title":"Mineralogy, Fluid Inclusion and Sulfur Isotope Constraints on the Kishan Carbonate-Hosted Pb–Zn Mineralization, Western Iran","authors":"Meysam Khoddam,&nbsp;Mohammadreza Jaafari,&nbsp;Abbas Askari,&nbsp;MohammadAli Aliabadi,&nbsp;Ahmad Hosseinkhani,&nbsp;Tayebeh Ramezani","doi":"10.1007/s40995-025-01944-5","DOIUrl":"10.1007/s40995-025-01944-5","url":null,"abstract":"<div>\u0000 \u0000 <p>The Kishan Deposit Is One of the Number of Carbonate-hosted Pb–Zn Occurrences and Deposits Located Within the Esfahan-Malayer Metallogenic Belt (MEMB), Iran. These Deposits Occurred in an Extensional back-arc Basin Attributed To the Oceanic Subduction of the Neo-Tethys or Nain-Baft back-arc Basin. Following the Mineralogical Study and Identifying Three Main Mineralization Stages of the Deposit, Including pre-, Main-, and late-post Stages, the S Isotope Data of Six Galena Samples from the Main Mineralization Stage Were analyzed. The δ34S Data Vary between − 3.76 and − 5.36‰, Which after Temperature Corrections by Fluid Inclusion Microthermometeric Data Gave a Narrow Range of −0.98 to −1.76‰, Consistent with the Sulfide Precipitation from Bacteriogenic sulfur-reduction. Additionally, the Fluid Inclusion Microthermometry of the Primary liquid-vapor Bearing Fluid Inclusions Trapped in the Cogenetic Quartz Veins Exhibited a Homogenization Temperature Range of 140° and 272 °C, Corresponding with the Salinity of 10–22 wt% NaCl Equivalent and Density of 0.9–1.1 g/cm<sup>3</sup>, Illustrating the Irish-type Characteristic in the Th Versus Salinity diagram, Which Is in Agreement with Bacteriogenic Sulfide Reduction (BSR) Processes. Consequently, the Irish-type Metallogeny of the Kishan Deposit Mostly Involves Intermittent Mixing of the Relatively cool, Dense Brines Modified from Contemporaneous Seawater with the Circulating Principal Ore Fluids Containing Leached Metals from the beneath basement, i.e., Metamorphosed Shale and Sandstone of the Shemshak Formation, as Far as the Sealing of Carbonate Host Rock Porosities Has Resulted in Later Prevailed Veining Mineralization. As a result, the Deposit Exhibits a Three-stage Mineralization Process as Stratabound and stratiform, Proposed for the Irish-type Deposits</p>\u0000 </div>","PeriodicalId":600,"journal":{"name":"Iranian Journal of Science and Technology, Transactions A: Science","volume":"50 3","pages":"1051 - 1061"},"PeriodicalIF":1.4,"publicationDate":"2026-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147863175","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Scalable K-frames and Their Stability Under Some Operators 可伸缩k -框架及其在某些算子下的稳定性
IF 1.4 4区 综合性期刊
Iranian Journal of Science and Technology, Transactions A: Science Pub Date : 2026-01-03 DOI: 10.1007/s40995-025-01943-6
Afsaneh Mahamed, S. Mohammad Moshtaghioun, Ahmad Ahmadi
{"title":"Scalable K-frames and Their Stability Under Some Operators","authors":"Afsaneh Mahamed,&nbsp;S. Mohammad Moshtaghioun,&nbsp;Ahmad Ahmadi","doi":"10.1007/s40995-025-01943-6","DOIUrl":"10.1007/s40995-025-01943-6","url":null,"abstract":"<div><p>If <i>K</i> is a bounded operator on a separable Hilbert space <span>( mathcal {H} )</span>, we will characterize scalable <i>K</i>-frames with respect to positive diagonal operators on the sequence space <span>( ell ^2 )</span>. This is the simplest method to generate a Parseval <i>K</i>-frame without requiring the invertibility of frame operator. One first goal is to modify the content of Theorem 3.8 of Ramesan (Mat Vesn 75:225–234, 2023) (and Theorem 4.1 of Ramesan (Palest J Math 12:493–500, 2023)). First, we provide a counterexample to its invalidity and then we prove it with an additional assumption. We also investigate the stability of scalable <i>K</i>-frames under suitable operators.</p></div>","PeriodicalId":600,"journal":{"name":"Iranian Journal of Science and Technology, Transactions A: Science","volume":"50 3","pages":"1201 - 1209"},"PeriodicalIF":1.4,"publicationDate":"2026-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147863200","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Integrating Zinc Application Techniques to Enhance Wheat Biofortification Under Phosphorus-Amended Calcareous Soil Conditions 磷改钙质土壤条件下综合施锌技术提高小麦生物强化
IF 1.4 4区 综合性期刊
Iranian Journal of Science and Technology, Transactions A: Science Pub Date : 2025-12-24 DOI: 10.1007/s40995-025-01945-4
Muhammad Imran Tipu, Muhammad Akhtar, Muhammad Faisal Maqsood, Fozia Farhat, Nadeem Sarwar, Muhammad Jamil, Sana Rasheed, Fatima Muneer
{"title":"Integrating Zinc Application Techniques to Enhance Wheat Biofortification Under Phosphorus-Amended Calcareous Soil Conditions","authors":"Muhammad Imran Tipu,&nbsp;Muhammad Akhtar,&nbsp;Muhammad Faisal Maqsood,&nbsp;Fozia Farhat,&nbsp;Nadeem Sarwar,&nbsp;Muhammad Jamil,&nbsp;Sana Rasheed,&nbsp;Fatima Muneer","doi":"10.1007/s40995-025-01945-4","DOIUrl":"10.1007/s40995-025-01945-4","url":null,"abstract":"<div><p>Zinc (Zn) deficiency in alkaline calcareous soils critically limits wheat productivity and grain nutritional quality, highlighting the urgent need for effective Zn fertilization strategies. The objective of this research evaluated different Zn application techniques to assess their effects on wheat growth together with Zn accessibility in Zinc deficient soil conditions. The field experiments were conducted at experimental area of the Nuclear Institute for Agriculture and Biology, applying Zn through foliar spray (0.5% solution, FZ), seed coating (1% Zn, SC), zinc-coated urea, soil application (15 kg ha<sup>−1</sup>, SZ), and a combined soil and foliar approach (15 kg ha<sup>−1</sup> soil Zn + 0.5% foliar spray, SFZ). ZnSO<sub>4</sub>·7H<sub>2</sub>O was used as source of Zn. Treatments were integrated with di-ammonium phosphate (DAP) or phosphoric acid (PA) fertilizers in a three-replication, randomized complete block design. Foliar Zn was applied at the time of grain-filling and booting stages, and at the recommended rates, other fertilizers were applied. Key findings revealed that the combined soil and foliar Zn application (SFZ) led to the highest improvements in wheat grain yield (26.1–32.5% increase over control) and significantly enhanced Zn bioavailability, as evidenced by a reduced phytate-to-Zn ratio (PZR) of 67.8%, followed by 34% decrease with soil-only Zn application. Phosphoric acid reduces the Zn uptake in the grain compared to the DAP plot, while SFZ application improved the Zn uptake in the wheat grain up to 151.3% under PA-supplemented plots as compared to control. Similarly, phytate contents increased (57.8%) promisingly in the wheat grains grown under PA-treated plots which were fortified with SFZ. The combination of Zn fertilizer applications as both soil treatment and foliage application resulted in superior wheat growth, yield and Zn availability by decreasing grain PZR levels beyond single soil fertilizer applications. These results suggest that integrating soil and foliar Zn applications is essential for achieving optimal wheat growth and grain Zn concentration. Furthermore, PA treatment along with SFZ exhibited more promising yield and quality attributes in Faisalabad-2008. Commercially, this approach can improve grain nutritional value, addressing Zn deficiency in human diets, while environmentally, it offers a sustainable solution for enhancing Zn efficiency in nutrient-poor soils.</p></div>","PeriodicalId":600,"journal":{"name":"Iranian Journal of Science and Technology, Transactions A: Science","volume":"50 3","pages":"949 - 958"},"PeriodicalIF":1.4,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147863204","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Theoretical Investigation of Antiproton-Induced Fast Ignition in Degenerate Fusion Fuel 简并聚变燃料反质子诱导快速点火的理论研究
IF 1.4 4区 综合性期刊
Iranian Journal of Science and Technology, Transactions A: Science Pub Date : 2025-12-24 DOI: 10.1007/s40995-025-01946-3
Mohammad Sadra Asgari, Babak Khanbabaei
{"title":"Theoretical Investigation of Antiproton-Induced Fast Ignition in Degenerate Fusion Fuel","authors":"Mohammad Sadra Asgari,&nbsp;Babak Khanbabaei","doi":"10.1007/s40995-025-01946-3","DOIUrl":"10.1007/s40995-025-01946-3","url":null,"abstract":"<div><p>Fast ignition using antimatter drivers in inertial confinement fusion represents a promising route for achieving high-efficiency ignition and fusion gain. This work investigates the prospects of using a MeV-level antiproton beam to ignite pre-compressed uranium-238-doped deuterium-tritium fuel. Based on comprehensive simulations of energy deposition, annihilation dynamics, and plasma characteristics, we study the ignition conditions in quantum-degenerate plasma states. Our findings show that compressing deuterium-tritium fuel to a degenerate state lowers the number of antiprotons required for ignition (approximately <span>(3 times 10^{14})</span>) by more than an order of magnitude compared to classical plasma, while maintaining hotspot temperatures above the ignition threshold (<span>(sim 4 ,text {keV})</span>). This improvement stems from the unique thermophysical properties of degenerate matter, which include suppressed thermal conduction, reduced bremsstrahlung losses, and higher target density, enabling more localized and effective energy deposition. The inclusion of uranium-238 provides additional heating through fission reactions induced by antiproton annihilation. This concept offers a promising path toward efficient and practical ignition in inertial confinement fusion, with potential applications in next-generation fusion power plants.</p></div>","PeriodicalId":600,"journal":{"name":"Iranian Journal of Science and Technology, Transactions A: Science","volume":"50 3","pages":"1225 - 1237"},"PeriodicalIF":1.4,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s40995-025-01946-3.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147863202","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Molecular Dynamics Simulation of Tacticity Effects on the Compatibility of Glycidyl Azide Polymer with Different Plasticizers 叠氮缩水甘油酯聚合物与增塑剂相容性影响的分子动力学模拟
IF 1.4 4区 综合性期刊
Iranian Journal of Science and Technology, Transactions A: Science Pub Date : 2025-12-22 DOI: 10.1007/s40995-025-01929-4
Dariush fallah
{"title":"Molecular Dynamics Simulation of Tacticity Effects on the Compatibility of Glycidyl Azide Polymer with Different Plasticizers","authors":"Dariush fallah","doi":"10.1007/s40995-025-01929-4","DOIUrl":"10.1007/s40995-025-01929-4","url":null,"abstract":"<div><p>Molecular dynamics simulation effectively predicts plasticizer-polymer compatibility. Interaction and binding energy reflect intermolecular interactions and directly indicate compatibility. In this study, the effects of tacticity of glycidyl azide polymer (isotactic, syndiotactic, and atactic) with different plasticizers including azide (azido ester and azido ether), nitrate ester (1,2,4-butanetriol trinitrate (BTTN) and trimethylolethane trinitrate (TMETN)), and inert (dibutyl phthalate (DBP) and triacetin (TA)) on compatibility were investigated. NPT-Molecular dynamics simulations showed that each plasticizer shows higher compatibility with a specific form of glycidyl azide polymer, and that isotactic and atactic are two good forms of glycidyl azide polymer for compatibility with plasticizers, and syndiotactic form is not suitable. Among the studied plasticizers, BTTN, DBP, TA, and azido ester were most compatible with isotactic glycidyl azide polymer, and TMETN and azido ether were most compatible with atactic glycidyl azide polymer. The highest binding energy was observed in azido ether with atactic glycidyl azide polymer, and the lowest binding energy was observed in TA with syndiotactic glycidyl azide polymer, 39.580 and − 86.804 kcal.mol<sup>− 1</sup>, respectively. The radial distribution function (RDF), mean squared displacement (MSD), and solubility parameter suggested miscibility, and mechanical property calculations showed improved properties with each plasticizer in the polymer.</p></div>","PeriodicalId":600,"journal":{"name":"Iranian Journal of Science and Technology, Transactions A: Science","volume":"50 3","pages":"971 - 981"},"PeriodicalIF":1.4,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147863209","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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