Polymer BulletinPub Date : 2024-11-23DOI: 10.1007/s00289-024-05562-w
Xinru Zhang, Rui Li, Xiaoxiao Li, Yanbing Hou, Yandan Zhang, Jingjie Han
{"title":"Coordination cross-linking of XNBR induced by different central ions","authors":"Xinru Zhang, Rui Li, Xiaoxiao Li, Yanbing Hou, Yandan Zhang, Jingjie Han","doi":"10.1007/s00289-024-05562-w","DOIUrl":"10.1007/s00289-024-05562-w","url":null,"abstract":"<div><p>Metal–ligand bonding, as a tunable and reversible non-covalent interaction, is believed to improve composites' recyclability and self-healing ability. In this work, we prepared coordinated Carboxylated nitrile-butadiene rubber (XNBR) composites by mixing metal ions with NBR and hot pressing. X-ray photoelectron spectroscopy and infrared spectroscopy were used to characterize the metal-NBR complexes. The Arrhenius equation and bond valence-bond length theory also calculated the bonding capacity and bond energy to analyze the effect of coordination bonds on the self-repair of the materials in combination with the mechanical properties and molecular orbital theory. The results showed that Mg<sup>2+</sup> didn’t react with cyano groups in coordination reactions. Cu<sup>2+</sup> and Zn<sup>2+</sup> coordinated with cyano groups at different temperatures. A comparison of the ligand bond energy and strength reveals that [Zn<sup>2+</sup>-N<sub>B</sub>] was easier to form than [Cu<sup>3+</sup>-N<sub>B</sub>]. The overall mechanical properties were improved due to non-covalent interactions, especially the self-repairing properties, which reached 93%. Therefore, the prepared XNBR/metal ions can play a significant role in practical applications in the industrial field.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":737,"journal":{"name":"Polymer Bulletin","volume":"82 5","pages":"1357 - 1384"},"PeriodicalIF":3.1,"publicationDate":"2024-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143594571","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Polymer BulletinPub Date : 2024-11-20DOI: 10.1007/s00289-024-05574-6
Ying-Jung Cheng, Yi-Sheng Jiang, Cheng-Rung Huang, Chang-Shi Chen, Jeng-Shiung Jan
{"title":"Effect of the composition of block copolypeptides on their biocompatibility and anti-bacterial activities","authors":"Ying-Jung Cheng, Yi-Sheng Jiang, Cheng-Rung Huang, Chang-Shi Chen, Jeng-Shiung Jan","doi":"10.1007/s00289-024-05574-6","DOIUrl":"10.1007/s00289-024-05574-6","url":null,"abstract":"<div><p>The improper use of antibiotics in patients around the world increased the risk of multidrug-resistant bacterial infection and became a serious global health threat. Although many natural anti-bacterial peptides have been discovered, the low bioavailability of natural anti-bacterial peptides limited their therapeutic effect. Hence, it is necessary to develop customized synthetic anti-bacterial polypeptides. Poly(L-lysine) (PLL) is well-known to exhibit anti-bacterial properties. The tethering of hydrophobic peptide segments onto PLL might be able to improve not only the biocompatibility but also the anti-bacterial activity. The experimental data showed that the hydrophobic peptide segments played an important role in the biocompatibility and anti-bacterial activity of the block polypeptides. Among them, linear and 3-armed poly(L-lysine)-<i>block</i>-poly(L-alanine) block copolypeptides showed excellent biocompatibility and anti-bacterial activity against <i>Staphylococcus aureus</i> (<i>S. aureus</i>) and <i>Shigella flexneri</i> (<i>S. flexneri</i>). The in vivo experiments confirmed that the polypeptides could protect <i>Caenorhabditis elegans</i> (<i>C. elegans</i>) from bacterial infection, evidenced by the prolonged lifespan in the presence of polypeptides. Our results showed that these polypeptides could be potential candidates for treating bacterial infections.</p></div>","PeriodicalId":737,"journal":{"name":"Polymer Bulletin","volume":"82 4","pages":"1339 - 1355"},"PeriodicalIF":3.1,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143361736","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Polymer BulletinPub Date : 2024-11-20DOI: 10.1007/s00289-024-05570-w
Samaneh Mirbagheri, Maryam Kalantari, Mohammad Reza Miroliaei
{"title":"Optimization of a novel waste-based hydrogel and its application in heavy metal removal","authors":"Samaneh Mirbagheri, Maryam Kalantari, Mohammad Reza Miroliaei","doi":"10.1007/s00289-024-05570-w","DOIUrl":"10.1007/s00289-024-05570-w","url":null,"abstract":"<div><p>This research investigates the adsorption of pollutants using the Chitosan-Sodium triphosphate-SiO<sub>2</sub> nanocomposite (CS-TPP-NSi). The study employs characterization techniques, including scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), mapping, Fourier-transform infrared spectroscopy (FTIR), and Brunauer–Emmett–Teller (BET) analysis, to examine the structural properties of the nanocomposite. Kinetic, isothermal, and capacity assessments are conducted to understand how lead and zinc contaminants are adsorbed. The isotherm models, including Langmuir, Freundlich, and Temkin, reveal that monolayer adsorption is the primary mechanism. The Langmuir model shows a maximum adsorption capacity of 112.35 mg/g for lead and 60.97 mg/g for zinc, with high correlation coefficients of 0.994 and 0.998, respectively. Kinetic tests demonstrate that the nanocomposite has fast adsorption kinetics and high capacity. Additionally, the study examines how initial pollutant concentrations affect adsorption efficiency, with Freundlich constants (K<sub>F</sub>) of 24.32 for lead and 21.84 for zinc. The findings enhance our understanding of adsorption mechanisms and highlight the potential of CS-TPP-NSi for environmental remediation.</p></div>","PeriodicalId":737,"journal":{"name":"Polymer Bulletin","volume":"82 4","pages":"1315 - 1337"},"PeriodicalIF":3.1,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143361735","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Polymer BulletinPub Date : 2024-11-20DOI: 10.1007/s00289-024-05565-7
Saurabh Mishra, Ravindra Kumar, Vijay Verma
{"title":"A review of thermoplastic-based low-cost composite bipolar plates for proton exchange membrane fuel cells","authors":"Saurabh Mishra, Ravindra Kumar, Vijay Verma","doi":"10.1007/s00289-024-05565-7","DOIUrl":"10.1007/s00289-024-05565-7","url":null,"abstract":"<div><p>PEM fuel cells (PEMFCs) are preferred as a highly favorable, eco-friendly alternate energy source. It directly converts the chemical energy into electrical power, with water as a by-product, without harming the environment. The major issues with PEMFCs are low electrical conductivity, high weight, and high cost. The bipolar plate (BP) is a crucial and indispensable component of PEMFCs. It plays an essential role in performing important functions, including conveying water and reactant gases, facilitating current flow from the membrane electrode assembly to the extremities, and providing mechanical strength. These plates constitute approximately 80% of its weight and 40% of its overall cost. The characteristics of these plates are subjected to modification based on the chosen material and fabrication process. Effective BP materials should possess enough mechanical strength and excellent electrical and thermal conductivity while also being resistant to chemicals and corrosion. BP is generally fabricated from metals, graphite, and polymeric materials. Metallic BP exhibits superior physical, mechanical, and electrical properties but is highly corrosive. On the other hand, graphitic BP is very heavy and possesses low mechanical strength. The PEMFC technology has made significant strides in the stationary field, accounting for over 60% of the global fuel cell market. It offers high efficiency of up to 65%. Companies are developing PEMFCs for various applications, including backup power, forklifts, and buses. Overall, PEMFCs are well positioned for significant growth and development in the coming years, driven by advancements in materials, efficiency, and cost reduction. This article aims to review the utilization of thermoplastic materials as polymer matrix in BP fabrication as alternate materials of graphite and metals. It also covers the various metallic and non-metallic fillers used in polymeric BP, fabrication methods, and comparisons of various properties, including cost.</p></div>","PeriodicalId":737,"journal":{"name":"Polymer Bulletin","volume":"82 4","pages":"1057 - 1084"},"PeriodicalIF":3.1,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143361733","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Polymer BulletinPub Date : 2024-11-19DOI: 10.1007/s00289-024-05585-3
Mamookho Elizabeth Makhatha, Patrick Ehi Imoisili, Tien-Chien Jen
{"title":"Crystallographic, macromolecular, thermal, and mechanical properties of Bambusa balcooa fibers: effect of two-step chemical modification","authors":"Mamookho Elizabeth Makhatha, Patrick Ehi Imoisili, Tien-Chien Jen","doi":"10.1007/s00289-024-05585-3","DOIUrl":"10.1007/s00289-024-05585-3","url":null,"abstract":"<div><p>Natural fibers (NFs) are becoming more and more interesting to research, because of their numerous benefits, sensitivity, biodegradability, and capacity to provide sustainable products that encourage technological innovation and a variety of industrial applications. In this study, a two-step treatment approach was adopted to chemically modify NF obtained from <i>Bambusa balcooa</i>. First ethanol (C<sub>2</sub>H<sub>6</sub>O) was utilized for pre-treatment, followed by potassium permanganate (KMnO<sub>4</sub>)-acetone solution at different concentration and treatment durations. The influence of this modification on the crystallographic, thermal, macromolecular, morphological, and mechanical properties of the <i>B. balcooa</i> fibers (BFs) were assessed using X-ray diffraction (XRD), thermogravimetric analysis (TGA), Fourier transform infrared (FTIR), scanning electron microscopy (SEM), and mechanical characterization using both treated and untreated BF. The XRD analysis revealed notable alterations in the crystalline properties of the fiber. FTIR analysis confirmed that wax, hemicellulose, and lignin had been partially eliminated. The findings of the TGA investigation showed that the modified BF could be processed with polymers at low temperatures. Under ideal circumstances, the treated single BF tensile strength increased, and SEM morphology indicated that uniform surface roughness had been attained. This study demonstrated that two-step treatment of BF has the prospective of been used as reinforcement in a range of bio-composites for certain industrial and innovative uses under the right treatment conditions.</p></div>","PeriodicalId":737,"journal":{"name":"Polymer Bulletin","volume":"82 4","pages":"1297 - 1313"},"PeriodicalIF":3.1,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00289-024-05585-3.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143361811","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Scale-up of the ring-opening polymerization of cyclic esters using tri-n-butyltin(IV) n-butoxide/aluminum tri-s-butoxide mixed initiators","authors":"Wanich Limwanich, Puracheth Rithchumpon, Nathaporn Cheechana, Winita Punyodom, Puttinan Meepowpan","doi":"10.1007/s00289-024-05582-6","DOIUrl":"10.1007/s00289-024-05582-6","url":null,"abstract":"<div><p>Development of the large-scale synthesis (250 g and 500 g) of eco-friendly poly(<i>ε</i>-caprolactone) (PCL) and poly(L-lactide) (PLL) was successfully conducted via the ring-opening polymerization (ROP) of <i>ε</i>-caprolactone (<i>ε</i>-CL) and L-lactide (LL) in the presence of effective tri-<i>n</i>-butyltin(IV) <i>n</i>-butoxide (<i>n</i>Bu<sub>3</sub>SnO<i>n</i>Bu)/aluminum tri-<i>s</i>-butoxide (Al(O<i>s</i>Bu)<sub>3</sub>) mixed initiators for the first time. The effectiveness of <i>n</i>Bu<sub>3</sub>SnO<i>n</i>Bu/Al(O<i>s</i>Bu)<sub>3</sub> mixed initiators were studied in the neat and stock solution form. The heating processes such as one or two temperature polymerizations in the synthesis of PCL and PLL were investigated. Both heating processes could effectively produce PCL and PLL with weight average molecular weight (<i>M</i><sub>w</sub>) in the range of 3.6 × 10<sup>4</sup>–1.6 × 10<sup>5</sup> g/mol and a %yield of up to 95%. Two-step heating process could produce a higher molecular weight of PCL than one step process with a shorter synthesis time. In the synthesis of PLL by using <i>n</i>Bu<sub>3</sub>SnO<i>n</i>Bu/Al(O<i>s</i>Bu)<sub>3</sub> mixed initiators, the racemization in the PLL chain was not observed in carbon-nuclear magnetic resonance spectroscopy (<sup>13</sup>C-NMR).</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":737,"journal":{"name":"Polymer Bulletin","volume":"82 4","pages":"1281 - 1295"},"PeriodicalIF":3.1,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143361813","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Polymer BulletinPub Date : 2024-11-16DOI: 10.1007/s00289-024-05577-3
Jasline Joseph, Rubalya Valantina Sathianathan
{"title":"Physicochemical investigation on eco-sustainable food packaging: valorisation of Moringa fibre and rice bran with embedded ZnO nanoparticles","authors":"Jasline Joseph, Rubalya Valantina Sathianathan","doi":"10.1007/s00289-024-05577-3","DOIUrl":"10.1007/s00289-024-05577-3","url":null,"abstract":"<div><p>Eco-friendly packaging materials are essential alternating findings to cope with the escalating production rate of toxic plastic materials. Nanoparticles (NPs) of Zinc Oxide (ZnO) with an average dimension of 32.34 nm have been synthesised and studied using XRD, and FESEM. The active mixture (ACM), prepared with NPs, <i>Moringa oleifera</i> fruit fibre and <i>Oryza sativa</i> bran was investigated for their composition and functional groups using EDX and FTIR spectra. Improvised thermal stability of the active mixture was examined to be up to 850 ºC with TGA. The ACM was tailored by glycerol and encapsulated with low wt.% of polyvinyl alcohol (PVA) at ratios (Film 1–0.7 wt., Film 2–0.9 wt., Film 3–1.1 wt., and Film 4–1.3 wt.%). All the films block up to 99% of the total UV radiation incident and have visible light transmittance ≥ 60% (600 nm). Upsurged antimicrobial activities of the film were studied against <i>Pseudomonas aeruginosa</i> with an inhibition zone of 26 mm for 150 μg/ml concentration proving its predominant activity which is 68.46% higher than the ACM. The physical and mechanical properties of the prepared films were investigated and observed that Film 4 exhibits a tensile strength (3.09 MPa) value higher than pure PVA. The biodegradable nanocomposite was incontestable to be more advantageous than the synthetic polymer PVA. The study emphasises that the fabricated films are beneficial and eco-friendly, that enhance the stored food's shelf life. Hence, this biomaterials-based biodegradable film would be used in the food industry and other packaging.</p></div>","PeriodicalId":737,"journal":{"name":"Polymer Bulletin","volume":"82 4","pages":"1149 - 1169"},"PeriodicalIF":3.1,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143362161","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Improving the water resistance of phosphoric acid-based geopolymers by optimizing the Al/Si molar ratio method","authors":"Shaoyun Pu, Bomin Xu, Wei Duan, Zewei Shen, Huiran Yao, Zhiduo Zhu","doi":"10.1007/s00289-024-05557-7","DOIUrl":"10.1007/s00289-024-05557-7","url":null,"abstract":"<div><p>Phosphoric acid-based geopolymers (PGEOs) have a special application in acid environment, but its poor water resistance caused concern in engineering. Al<sup>3+</sup> can improve the mechanical performance of PGEOs; it may improve the water resistance of PGEOs. In this article, the impact of Al/Si molar ratios on the water resistance of PGEOs and related mechanisms were investigated using unconfined compression strength, scanning electron microscope, X-ray diffraction, and mercury intrusion testing. Results indicate that the Al/Si molar ratio is a more important parameter affecting water resistance compared to the P/Si molar ratio, high Al/Si molar ratio is conducive to the enhancement of soaked strength of PGEOs, the PGEO's specimens with an Al/Si molar ratio of 0.664 undergoes varying degrees of damage at 280d soaking, but no cracks were found if the Al/Si molar ratios are > 0.669. Especially when the Al/Si molar ratio reaches 0.687, there is little change in the strength of PGEOs after soaking. When Al/Si molar ratios increased, some crystalline compounds with higher Al content, such as AlPO<sub>4</sub>, are generated, which encapsulate the gels with Si–O–P linkages and restrict its dissolution in water. Therefore, the water resistance of geopolymer is improved by high Al/Si molar ratios. Moreover, high Al<sup>3+</sup> content can reduce the geopolyerization rate, making the proportion of harmful pores reduce.</p></div>","PeriodicalId":737,"journal":{"name":"Polymer Bulletin","volume":"82 4","pages":"1171 - 1195"},"PeriodicalIF":3.1,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143362104","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Statistical modelling of myriostachia wightiana stem fibers (MWSFs) tensile properties","authors":"Pramod Kumar Parida, Arun Kumar Pradhan, Mihir Kumar Pandit","doi":"10.1007/s00289-024-05575-5","DOIUrl":"10.1007/s00289-024-05575-5","url":null,"abstract":"<div><p>Myriostachia wightiana stem fibers (MWSFs), recently identified as a promising natural fiber, offer significant potential to replace conventional fibers due to their excellent performance, resilience to saline environments, and eco-friendly nature. This study experimentally examines the mechanical properties of MWSFs, including diameter, strength, modulus and strain, for fibers extracted using both alkaline and water retting processes. The physical properties were determined using microscopic analysis and ASTM D3379-75 standard. Given the inherent variability in these properties, statistical approaches such as the Griffith and Weibull models were employed to predict tensile characteristics. Specifically, Griffith model focused on predicting strength and Young modulus based on fiber diameter, while two- and three-parameter Weibull models were applied to statistically forecast the fiber’s attributes with a 95% confidence level. The comparative analysis between the statistical predictions and experimental results demonstrated a strong agreement, validating the effectiveness of these modelling techniques. The findings are crucial for accurately estimating the structural response of MWSFs as reinforcement in composite applications.</p></div>","PeriodicalId":737,"journal":{"name":"Polymer Bulletin","volume":"82 4","pages":"1239 - 1263"},"PeriodicalIF":3.1,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143361674","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Polymer BulletinPub Date : 2024-11-16DOI: 10.1007/s00289-024-05556-8
Yadollah Bayat, Fatemeh Esmailmarandi, Vahid Azizkhani
{"title":"A simple and efficient nitrating agent to achieve N-n-butyl-N-(2-nitroxyethyl) nitramine (Bu-NENA) and theoretical study of its compatibility with polyglycidyl nitrate (PGN) and glycidyl azide polymer (GAP)","authors":"Yadollah Bayat, Fatemeh Esmailmarandi, Vahid Azizkhani","doi":"10.1007/s00289-024-05556-8","DOIUrl":"10.1007/s00289-024-05556-8","url":null,"abstract":"<div><p>This paper presents a new simple experimental and highly efficient approach to synthesize N-n-butyl-N-(2-nitroxyethyl)nitramine (Bu-NENA) in the attendance of nitric acid and boric acid as a enable nitrating system. The advantages of this method are the excellent yield of product, easy work-up, short reaction time, and atom economy. The study of the compatibility of energetic binder glycidyl azide polymer (GAP) and polyglycidyl nitrate (PGN) with Bu-NENA for solid propellants by using the vacuum stability test (VST) and differential scanning calorimeter (DSC) as another part of this research work was investigated. The quantity of the volume of evolved gas of these blends and glass transition temperature (<i>T</i><sub>g</sub>) were also calculated. According to the results, the addition of plasticizers to PGN and GAP led to a decrease in <i>T</i><sub>g</sub>, which tells about the compatibility of plasticizers with both. Furthermore, VST showed that Bu-NENA is more compatible with PGN than GAP. In addition, theoretical studies on the interaction between Bu-NENA and binders, as well as molecular electrostatic potential surface (MESP), natural bond orbital (NBO), and the atoms in molecules (AIM) analyses at B3P86/def2-TZVP and PBE/def2-TZVP levels, were investigated. The nature of interactions was investigated using energy decomposition analysis (EDA) analysis at the BP86/TZ2P level. The results of theoretical studies agree with experimental observations about the compatibility of the plasticizer and show that the dispersion forces play a crucial role in compatibility.</p></div>","PeriodicalId":737,"journal":{"name":"Polymer Bulletin","volume":"82 4","pages":"1197 - 1221"},"PeriodicalIF":3.1,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143362160","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}