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Removal of Total Hardness in Water Using Homogeneous Fenton-Activated Microcrystalline Cellulose Produced from Siamese Banana Residue 用暹罗香蕉渣制备的均相fenton活化微晶纤维素去除水中总硬度
IF 1.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-09-14 DOI: 10.1007/s10953-025-01493-w
Quynh Anh Nguyen Thi, Nhat Huy Nguyen, Tri Thich Le, Phuoc Toan Phan, Phu Quoc Dao, Thuy Nguyen Thi, Thanh Lam Phan, Trung Thanh Nguyen

Excessive water hardness poses significant challenges to both domestic and industrial water usage, often leading to scale formation and reduced efficiency of water systems. In this article, the removal of total hardness using homogeneous Fenton-activated microcrystalline cellulose (MCC-F) extracted from banana pseudo-stem was investigated. To begin with, FTIR, SEM–EDS, XRD, TGA, and pHpzc of the prepared material were examined to determine its characterization. Next, a preliminary experiment was conducted to assess the adsorption capacity and reduction percentage of target pollutants from a synthetic solution using MCC-F as an adsorbent. Besides, the Freundlich and Dubinin-Radushkovich isotherms demonstrated excellent correlation with the experimental data (R2 > 0.99), while the pseudo-second-order kinetic model effectively described the adsorption kinetics. Furthermore, the adsorptive elimination of hardness was found to be an exothermic and spontaneous process, as indicated by thermodynamic studies. This study proposes a straightforward setup that addresses the limitations of conventional methods for removing total hardness.

过高的水硬度对生活用水和工业用水都构成了重大挑战,通常会导致水垢的形成和水系统效率的降低。本文研究了从香蕉假茎中提取的均相fenton活化微晶纤维素(MCC-F)去除总硬度的方法。首先,对制备的材料进行FTIR、SEM-EDS、XRD、TGA、pHpzc等表征。接下来,进行了初步实验,评估了MCC-F作为吸附剂对合成溶液中目标污染物的吸附能力和还原百分比。Freundlich和Dubinin-Radushkovich等温线与实验数据具有良好的相关性(R2 > 0.99),拟二级动力学模型有效地描述了吸附动力学。此外,根据热力学研究,发现吸附消除硬度是一个放热和自发的过程。这项研究提出了一个简单的设置,解决了传统方法去除总硬度的局限性。
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引用次数: 0
Hydration Shell Properties and Dynamic Behaviour of Hydrogen Bonds in Some Aqueous Solutions of Amino Acids 氨基酸水溶液中氢键的水合壳性质和动力学行为
IF 1.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-09-12 DOI: 10.1007/s10953-025-01504-w
Nedjoua Drici

The interaction of a set of amino acids of various types, including neutral, acidic and basic side chains, with surrounding water molecules has attracted our attention. Therefore, the dynamics of hydrogen bonds between water molecules and isolated solvated amino acids were explored to shed light on their effects on the hydration shell flexibility and on how the rotational behaviour of ammonium (–NH3+), carboxylate (–COO) and amino acid side chains are impacted. Static and dynamic analyses, including radial distribution function (RDF), rotational behaviour and probability distribution of these groups, were discussed. The mean square displacement (MSD), the hydrogen bond dynamics, and the average hydrogen bond lifetime (τHB) were examined. The results indicated the existence of three hydration zones around ammonium, carboxylate and side chain groups, each exhibiting distinct dynamic behaviour of the hydrogen bonds as well as side-chain rotational behaviour.

一系列不同类型的氨基酸,包括中性、酸性和碱性侧链,与周围水分子的相互作用引起了我们的注意。因此,研究人员探索了水分子和分离的溶剂化氨基酸之间的氢键动力学,以阐明它们对水合壳柔性化的影响,以及铵(-NH3 +)、羧酸盐(-COO−)和氨基酸侧链的旋转行为是如何受到影响的。讨论了这些基团的静态和动态分析,包括径向分布函数(RDF)、旋转行为和概率分布。测定了均方位移(MSD)、氢键动力学和平均氢键寿命(τHB)。结果表明,在铵盐、羧酸盐和侧链基团周围存在三个水化带,每个水化带都表现出不同的氢键动态行为和侧链旋转行为。
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引用次数: 0
Fabrication and Evaluation of Polyethersulfone Mixed-Matrix Membranes Incorporated with Dolomite for Enhancing CO2/N2 Separation 白云石聚醚砜混合基膜的制备及对CO2/N2分离性能的影响
IF 1.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-09-07 DOI: 10.1007/s10953-025-01492-x
N. H. M. Amin, M. U. M. Junaidi, A. I. M. Zakaria, N. A. Hashim, H. F. Hizaddin

This study presents the development and performance evaluation of polyethersulfone (PES)-based mixed-matrix membranes (MMMs) integrated with dolomite for enhanced CO2/N2 separation. Micronized dolomite was calcined at 800 °C to increase surface area and subsequently modified with stearic acid to improve hydrophobicity. The MMMs were fabricated via phase inversion with varying dolomite loadings (0–0.75 wt.%), including a 0.5 wt.% hydrophobic variant. Comprehensive membrane characterization was performed using FESEM, FTIR, contact angle analysis, and zetasizer. Gas permeation tests revealed that the incorporation of hydrophilic dolomite improved CO2 permeability up to an optimal 0.5 wt.%, after which agglomeration hindered performance. Notably, the membrane containing 0.5 wt.% chemically modified hydrophobic dolomite (PES-5) exhibited the highest CO2/N2 selectivity of 8.62, indicating a 57.3% selectivity improvement over pure PES. These values closely approach Robeson’s upper bound, highlighting the filler’s dual role in enhancing selectivity and mitigating water vapor interference via increased hydrophobicity. The results suggest that dolomite, a naturally abundant and cost-effective mineral, can serve as a functional inorganic filler in MMMs, providing a viable pathway for low-cost, high-efficiency CO2 capture applications.

Graphical Abstract

本文研究了聚醚砜(PES)基混合基质膜(MMMs)与白云石的结合,以提高CO2/N2的分离性能。微粉白云石在800℃下煅烧以增加表面积,随后用硬脂酸改性以改善疏水性。MMMs是通过相转化制备的,其白云石的掺量不同(0-0.75 wt.%),包括0.5 wt.%的疏水性变体。利用FESEM, FTIR,接触角分析和zetasizer对膜进行了全面的表征。气体渗透性测试表明,掺入亲水白云岩可将CO2渗透率提高至最佳的0.5 wt.%,超过0.5 wt.%后,团聚会阻碍其性能。值得注意的是,含有0.5 wt.%化学改性疏水白云石(PES-5)的膜具有最高的CO2/N2选择性,为8.62,比纯PES的选择性提高了57.3%。这些值接近Robeson的上限,突出了填料在提高选择性和通过增加疏水性减轻水蒸气干扰方面的双重作用。结果表明,白云石作为一种天然丰富且具有成本效益的矿物,可以作为MMMs中的功能性无机填料,为低成本,高效的CO2捕集应用提供了可行的途径。图形抽象
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引用次数: 0
Solubility of Benzene in Aqueous Monoethanolamine Solutions at Elevated Temperatures 苯在高温单乙醇胺水溶液中的溶解度
IF 1.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-09-06 DOI: 10.1007/s10953-025-01503-x
Fang-Yuan Jou, Alan E. Mather

The solubility of benzene in aqueous monoethanolamine solutions has been measured at temperatures of 140° and 180 °C at pressures up to 1980 kPa. This study complements earlier work at lower temperatures in this system. The plait points for all temperatures have been determined. Activity coefficients for benzene in water and in 30 wt. per cent MEA have been calculated.

苯在单乙醇胺水溶液中的溶解度在温度为140°和180°C,压力高达1980千帕时进行了测量。这项研究补充了该系统在较低温度下的早期工作。所有温度下的褶点都已确定。已经计算了苯在水中和在30%的MEA条件下的活度系数。
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引用次数: 0
Physicochemical Properties of Aqueous Solutions of Monoethylene Glycol, Diethylene Glycol, Triethylene Glycol, and Tetraethylene Glycol at 293.15, 313.15, and 333.15 K 293.15、313.15和333.15 K下单乙二醇、二乙二醇、三乙二醇和四乙二醇水溶液的物理化学性质
IF 1.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-09-03 DOI: 10.1007/s10953-025-01486-9
Randi Neerup, Philip L. Fosbøl

Density and viscosity were measured for aqueous mixtures of monoethylene glycol (MEG), diethylene glycol (DEG), triethylene glycol (TEG), and tetraethylene glycol (TeEG) across the full concentration range. Measurements were performed at 293.15, 313.15, and 333.15 K under atmospheric conditions, yielding 222 new data points. Density data were used to calculate excess volumes, revealing negative deviations from ideal behaviour. Temperature and molecular weight significantly influenced these deviations. Temperature-dependent correlations were developed for density, viscosity, and excess volumes, providing valuable insights for industrial applications.

在整个浓度范围内测量了单乙二醇(MEG)、二乙二醇(DEG)、三乙二醇(TEG)和四乙二醇(TeEG)的水相混合物的密度和粘度。在293.15、313.15和333.15 K的大气条件下进行了测量,产生了222个新的数据点。密度数据用于计算多余体积,揭示与理想行为的负偏差。温度和分子量对这些偏差有显著影响。研究人员开发了密度、粘度和多余体积的温度相关关系,为工业应用提供了有价值的见解。
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引用次数: 0
Solid–Liquid Equilibrium Solubility Measurement, and Model Evaluation of 3-Nitro-1,2,4-triazol-5-one in Acetic Acid + Water Binary Mixed Solvents 3-硝基-1,2,4-三唑-5-酮在醋酸+水二元混合溶剂中的固液平衡溶解度测定及模型评价
IF 1.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-09-02 DOI: 10.1007/s10953-025-01498-5
Xiao Li, Yuanping Zhang, Jingru Zhao, Xinping Zhao, Qiaoe Liu, Jianlong Wang, Lizhen Chen

This study systematically investigated the phase equilibrium behavior of 3-nitro-1,2,4-triazol-5-one (NTO) dissolution in acetic acid + water binary solvent systems. Using laser dynamic monitoring under atmospheric pressure (0.1 MPa), dissolution equilibrium data were experimentally determined across a temperature range of 293.15–333.15 K. Maximum dissolution capacity was observed at an acetic acid molar fraction of (x_{mathrm{CH_{3} COOH}} = 0.73) attributed to multilevel hydrogen-bonding synergism between solvent components and solute molecules. To establish generalized predictive models, four thermodynamic frameworks—the Apelblat equation, van’t Hoff temperature correlation, Yaws empirical model, and Jouyban-Acree multivariate regression—were applied, all demonstrating excellent correlation with experimental data (average R2 > 0.99). Thermodynamic analysis yielded critical dissolution parameters: standard dissolution enthalpy, entropy, and Gibbs free energy, confirming an entropy-driven dissolution mechanism. The compiled phase equilibrium database and validated models provide theoretical guidance for optimizing NTO crystallization processes in industrial applications, while establishing foundational data for molecular design in multicomponent solvent systems for energetic materials.

本研究系统地研究了3-硝基-1,2,4-三唑-5-酮(NTO)在醋酸+水二元溶剂体系中的溶解相平衡行为。利用激光在0.1 MPa大气压下的动态监测,测定了293.15 ~ 333.15 K温度范围内的溶解平衡数据。由于溶剂组分和溶质分子之间的多级氢键协同作用,在(x_{mathrm{CH_{3} COOH}} = 0.73)的乙酸摩尔分数下观察到最大的溶解能力。为了建立广义预测模型,应用了四个热力学框架——Apelblat方程、van 't Hoff温度相关、Yaws经验模型和Jouyban-Acree多元回归,它们都与实验数据具有良好的相关性(平均R2 &gt; 0.99)。热力学分析得出了关键溶解参数:标准溶解焓、熵和吉布斯自由能,证实了一个由熵驱动的溶解机制。建立的相平衡数据库和验证模型为工业应用中优化NTO结晶过程提供了理论指导,同时为含能材料多组分溶剂体系的分子设计奠定了基础数据。
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引用次数: 0
Re-determination of the stability constants of Ternary Oxovanadium (IV) Complexes with Picolinic Acid and Some Amino Acids Using Reduced Formation Functions 用还原生成函数重新测定氧化钒与吡啶酸和某些氨基酸三元配合物的稳定性常数
IF 1.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-08-28 DOI: 10.1007/s10953-025-01494-9
Vito Lubes, Mary Lorena Araujo, Lino Hernandez

Potentiometric data of the ternary VO2+-picolinic acid (Pic) complexes with the amino acids: glycine (Gly, L), isoleucine (Ile, L), valine (Val, L), arginine (Arg, L), aspartic acid (Asp, L2−), and histidine (His, L) previously determined by our group at 25 °C and 1.0 mol·dm−3 NaCl and analyzed using the regular ZB vs pH data, were re-determined using the reduced formation functions ZBfondo and their pH dependence. Visualization of the ZBfondo vs pH data trends and details on the stoichiometric composition of the complexes formed in aqueous solution were derived and are presented in this work.

本研究小组先前在25°C和1.0 mol·dm−3 NaCl条件下测定的VO2+-吡啶酸(Pic−)与甘氨酸(Gly, L−)、异亮氨酸(Ile, L−)、缬氨酸(Val, L−)、精氨酸(Arg, L−)、天冬氨酸(Asp, L2−)和组氨酸(His, L−)的三元配合物的电位数据,使用还原生成函数ZBfondo及其pH依赖性重新测定。可视化的ZBfondo与pH值的数据趋势和详细的化学计量组成形成的配合物在水溶液中推导并提出了这项工作。
{"title":"Re-determination of the stability constants of Ternary Oxovanadium (IV) Complexes with Picolinic Acid and Some Amino Acids Using Reduced Formation Functions","authors":"Vito Lubes,&nbsp;Mary Lorena Araujo,&nbsp;Lino Hernandez","doi":"10.1007/s10953-025-01494-9","DOIUrl":"10.1007/s10953-025-01494-9","url":null,"abstract":"<div><p>Potentiometric data of the ternary VO<sup>2+</sup>-picolinic acid (Pic<sup>−</sup>) complexes with the amino acids: glycine (Gly, L<sup>−</sup>), isoleucine (Ile, L<sup>−</sup>), valine (Val, L<sup>−</sup>), arginine (Arg, L<sup>−</sup>), aspartic acid (Asp, L<sup>2−</sup>), and histidine (His, L<sup>−</sup>) previously determined by our group at 25 °C and 1.0 mol·dm<sup>−3</sup> NaCl and analyzed using the regular <i>Z</i><sub>B</sub> vs pH data, were re-determined using the reduced formation functions <i>Z</i><sub>Bfondo</sub> and their pH dependence. Visualization of the <i>Z</i><sub>Bfondo</sub> vs pH data trends and details on the stoichiometric composition of the complexes formed in aqueous solution were derived and are presented in this work.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"54 11","pages":"1565 - 1576"},"PeriodicalIF":1.3,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145316488","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Evaluation of Phase Equilibria for Binary and Ternary Systems Using Wilson-NA and T-K-Wilson-NA Models 用Wilson-NA和T-K-Wilson-NA模型评价二元和三元体系的相平衡
IF 1.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-08-26 DOI: 10.1007/s10953-025-01483-y
Hiroyuki Matsuda, Katsumi Tochigi, Katsumi Yokoyama, Tomoya Tsuji, Kiyofumi Kurihara

This paper presents the Wilson-NA model to evaluate phase equilibria for mixtures containing not only conventional solvents but also other chemicals, such as ionic liquids, fluorous solvents, deep eutectic solvents, bio-based solvents, and pharmaceuticals. The Wilson-NA model is obtained by simplifying the ratio ({v}_{j}^{text{L}}/{v}_{i}^{text{L}}) in the original Wilson model. Then, the liquid molar volume, ({v}_{i}^{text{L}}), is assumed to be proportional to the number of atoms (NA) other than hydrogen atoms, ({nu }_{i}^{text{NA}}), in the molecule. This originates from the Analytical Solution of Groups model, where the number of segments is evaluated for the combinatorial term. First, the relationship between ({nu }_{i}^{text{NA}}) and ({v}_{i}^{text{L}}), and the ratio for two compounds, ({nu }_{j}^{text{NA}}/{nu }_{i}^{text{NA}}) and ({v}_{j}^{text{L}}/{v}_{i}^{text{L}}), are discussed. Next, we employed the Wilson-NA model to correlate the experimental binary data of vapor–liquid equilibria (VLE) and bubble point pressures, and the accuracy was compared with that from the original Wilson model. The VLE prediction was also extended to some ternary systems just by using the interaction parameters for the constituent binary systems. We also applied the method to a modified version of the Wilson model, proposed by Tsuboka and Katayama, to predict the liquid–liquid equilibria for binary and ternary systems containing compounds with high viscosity, fluorous solvents, and ionic liquids. Finally, the Wilson-NA model was evaluated to solid–liquid equilibria (SLE) for binary systems containing pharmaceutical, terpene, or eutectic solvent, for the purpose of considerations to complex systems.

本文提出了Wilson-NA模型,用于评估不仅含有常规溶剂,而且含有其他化学物质(如离子液体、含氟溶剂、深共晶溶剂、生物基溶剂和药物)的混合物的相平衡。将原Wilson模型中的比值({v}_{j}^{text{L}}/{v}_{i}^{text{L}})简化后得到Wilson- na模型。然后,假定液体的摩尔体积({v}_{i}^{text{L}})与分子中除氢原子以外的原子(NA)的数目({nu }_{i}^{text{NA}})成正比。这源于群的解析解模型,其中对组合项的段数进行评估。首先,讨论了({nu }_{i}^{text{NA}})和({v}_{i}^{text{L}})之间的关系,以及({nu }_{j}^{text{NA}}/{nu }_{i}^{text{NA}})和({v}_{j}^{text{L}}/{v}_{i}^{text{L}})两种化合物的比例。接下来,我们采用Wilson- na模型对汽液平衡(VLE)和气泡点压力的实验二元数据进行关联,并与原始Wilson模型的精度进行了比较。利用二元体系的相互作用参数,将VLE预测扩展到某些三元体系。我们还将该方法应用于由Tsuboka和Katayama提出的威尔逊模型的改进版本,以预测含有高粘度化合物、含氟溶剂和离子液体的二元和三元体系的液-液平衡。最后,为了考虑复杂体系,对含有药物、萜烯或共晶溶剂的二元体系的Wilson-NA模型进行了固液平衡(SLE)评估。
{"title":"Evaluation of Phase Equilibria for Binary and Ternary Systems Using Wilson-NA and T-K-Wilson-NA Models","authors":"Hiroyuki Matsuda,&nbsp;Katsumi Tochigi,&nbsp;Katsumi Yokoyama,&nbsp;Tomoya Tsuji,&nbsp;Kiyofumi Kurihara","doi":"10.1007/s10953-025-01483-y","DOIUrl":"10.1007/s10953-025-01483-y","url":null,"abstract":"<div><p>This paper presents the Wilson-NA model to evaluate phase equilibria for mixtures containing not only conventional solvents but also other chemicals, such as ionic liquids, fluorous solvents, deep eutectic solvents, bio-based solvents, and pharmaceuticals. The Wilson-NA model is obtained by simplifying the ratio <span>({v}_{j}^{text{L}}/{v}_{i}^{text{L}})</span> in the original Wilson model. Then, the liquid molar volume, <span>({v}_{i}^{text{L}})</span>, is assumed to be proportional to the number of atoms (NA) other than hydrogen atoms, <span>({nu }_{i}^{text{NA}})</span>, in the molecule. This originates from the Analytical Solution of Groups model, where the number of segments is evaluated for the combinatorial term. First, the relationship between <span>({nu }_{i}^{text{NA}})</span> and <span>({v}_{i}^{text{L}})</span>, and the ratio for two compounds, <span>({nu }_{j}^{text{NA}}/{nu }_{i}^{text{NA}})</span> and <span>({v}_{j}^{text{L}}/{v}_{i}^{text{L}})</span>, are discussed. Next, we employed the Wilson-NA model to correlate the experimental binary data of vapor–liquid equilibria (VLE) and bubble point pressures, and the accuracy was compared with that from the original Wilson model. The VLE prediction was also extended to some ternary systems just by using the interaction parameters for the constituent binary systems. We also applied the method to a modified version of the Wilson model, proposed by Tsuboka and Katayama, to predict the liquid–liquid equilibria for binary and ternary systems containing compounds with high viscosity, fluorous solvents, and ionic liquids. Finally, the Wilson-NA model was evaluated to solid–liquid equilibria (SLE) for binary systems containing pharmaceutical, terpene, or eutectic solvent, for the purpose of considerations to complex systems.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"54 11","pages":"1532 - 1564"},"PeriodicalIF":1.3,"publicationDate":"2025-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145316556","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
An Insight into Interactional Characteristics of Aqueous Raltegravir Potassium in Potassium Chloride and α-Lactose via Volumetric, Compressibility, and Viscometric Properties 通过体积学、压缩性和粘度学性质研究盐酸雷替格拉韦钾水溶液在氯化钾和α-乳糖中的相互作用特性
IF 1.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-08-20 DOI: 10.1007/s10953-025-01489-6
Rojo John, Vijay M. Tangde, Niraj T. Khaty, Prafulla M. Sable

The current manuscript reports densities, speed of sound, and viscosities of an antiretroviral drug, Raltegravir potassium in water and in aqueous potassium chloride and α-Lactose at temperatures 288.15 K and 318.15 K and at atmospheric pressure over the concentration range of (0.02 to 0.1) mol.kg−1 of Raltegravir potassium. The experimentally obtained data have been used to deduce various thermodynamically derived properties like apparent molar volume of solute (({V}_{phi })), limiting apparent molar volume (({V}_{phi }^{0})), limiting apparent molar volume of transfer (({Delta }_{text{tr}}{V}_{phi }^{0})), thermal expansion coefficient (α*), limiting apparent molar expansibility (({E}_{phi }^{0})), isentropic compressibility (({kappa }_{S})), apparent molar isentropic compression of solute (({K}_{S, phi })), limiting apparent molar isentropic compression of the solute (({K}_{S,phi }^{0})), limiting apparent molar isentropic compression of transfer (({Delta }_{text{tr}}{K}_{S, phi }^{0})), hydration number (({n}_text{H})), relative viscosity (({eta }_{r})), Falkenhagen coefficient (A), Jones–Dole coefficient (B), temperature derivative of B-coefficient( dB/dT), free energy of activation of viscous flow per mole of solvent ( ({Delta mu }_{1}^{0#}),) free energy of activation of viscous flow mole of solute ({(Delta mu }_{2}^{0#}),) Entropy of activation of viscous flow ((Delta {S}_{2}^{0#})) and enthalpy of activation of viscous flow (({Delta H}_{2}^{0#})) and viscosity B-coefficient of transfer, ({Delta }_{tr}B.) The effects of temperature on the interactions between potassium chloride/α-Lactose and aqueous Raltegravir potassium have been studied using these parameters. The drug’s ability to form structures and the interactions between hydrophilic and hydrophobic molecules in these systems are examined.

Graphical Abstract

Plausible interactions between Raltegravir potassium (left) and KCl/α-Lactose (right)

目前的手稿报道了一种抗逆转录病毒药物雷替格拉韦钾在288.15 K和318.15 K的温度和大气压下浓度范围为(0.02至0.1)mol.kg - 1的雷替格拉韦钾在水、氯化钾和α-乳糖中的密度、声速和粘度。实验得到的数据被用来推导各种热力学性质,如溶质的表观摩尔体积(({V}_{phi })),限制表观摩尔体积(({V}_{phi }^{0})),限制表观转移摩尔体积(({Delta }_{text{tr}}{V}_{phi }^{0}))、热膨胀系数(α*)、极限表观摩尔膨胀系数(({E}_{phi }^{0}))、等熵压缩率(({kappa }_{S}))、溶质的表观摩尔等熵压缩(({K}_{S, phi })),限制溶质的表观摩尔等熵压缩(({K}_{S,phi }^{0})),限制表观摩尔等熵压缩转移(({Delta }_{text{tr}}{K}_{S, phi }^{0})),水合值 (({n}_text{H})),相对粘度(({eta }_{r})), Falkenhagen系数(A), Jones-Dole系数(B), B系数的温度导数(dB/dT),每摩尔溶剂的粘性流动激活自由能( ({Delta mu }_{1}^{0#}),) 溶质摩尔黏性流动激活的自由能 ({(Delta mu }_{2}^{0#}),) 粘性流动的激活熵 ((Delta {S}_{2}^{0#})) 粘性流动的激活焓(({Delta H}_{2}^{0#})) 和粘度b -传递系数; ({Delta }_{tr}B.) 用这些参数研究了温度对氯化钾/α-乳糖与雷替格拉韦钾水溶液相互作用的影响。药物的能力形成结构和亲疏水分子之间的相互作用,在这些系统进行了检查。图示:雷替格拉韦钾(左)与KCl/α-乳糖(右)的相互作用
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引用次数: 0
Study of the Influences of Alcohol and Urea on the Self-assembly of Cetylpyridinium Chloride in the Presence of Crystal Violet Dye at Different Temperatures 不同温度下醇和尿素对结晶紫染料存在下十六烷基氯吡啶自组装影响的研究
IF 1.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-08-16 DOI: 10.1007/s10953-025-01485-w
Tania Ferdous, K. M. Anis-Ul-Haque, Md. Newaz Sharif, Muhammad Wajid Ullah, Javed Masood Khan, Mazhar Ul-Islam, Md. Anamul Hoque, Shariff E. Kabir

Dyeing, a critical process in textiles, relies on effective dye-fabric binding for optimal coloration. Surfactants play a key role in this binding, with auxiliaries capable of modulating their interactions and impacting dye adhesion. This study explores the aggregation between cetylpyridinium chloride (CPC) surfactant and crystal violet (CV) dye, by monitoring conductivity changes as a marker for micelle formation. The effects of ethanol (EtOH), 1-propanol (1-PrOH), iso-butanol (iso-BuOH), and urea on CPC micellization in aq. CV solutions were analyzed. The driving forces of micelle formation were assessed through assessment of the critical micelle concentration (CMC), counter-ion binding ((beta)), and thermodynamic parameters such as change in Gibbs free energy (({Delta G}_{text{m}}^{0})), enthalpy (({Delta H}_{text{m}}^{0})) and entropy (({Delta S}_{text{m}}^{0})). Results indicate that increased alcohol and urea concentrations, as well as temperature, lead to elevated CMC values. Negative ({Delta G}_{text{m}}^{0}) values suggest that micelle formation for CPC + CV system is a spontaneous process, while the assessment of ({Delta H}_{text{m}}^{0}) and ({Delta S}_{text{m}}^{0}) reveal the roles of hydrophobic and electrostatic forces. Furthermore, thermodynamics of transfer (({Delta G}_{text{m},text{tr}}^{0}), ({Delta H}_{text{m},text{tr}}^{0}), and ({Delta S}_{text{m},text{tr}}^{0})) and enthalpy-entropy compensation parameters were evaluated and reviewed thoroughly, providing valuable insights for optimizing surfactant and additive usage in dyeing applications.

Graphical Abstract

染色是纺织品的一个关键工序,它依赖于染料织物的有效结合,以获得最佳的颜色。表面活性剂在这种结合中起着关键作用,助剂能够调节它们的相互作用并影响染料的粘附。本研究通过监测电导率的变化作为胶束形成的标志,探讨了十六烷基氯化吡啶(CPC)表面活性剂与结晶紫(CV)染料之间的聚集。分析了乙醇(EtOH)、1-丙醇(1-PrOH)、异丁醇(iso-BuOH)和尿素在aq. CV溶液中对CPC胶束的影响。通过临界胶束浓度(CMC)、反离子结合((beta))、吉布斯自由能(({Delta G}_{text{m}}^{0}))、焓(({Delta H}_{text{m}}^{0})))、熵(({Delta S}_{text{m}}^{0})))等热力学参数的变化来评价胶束形成的驱动力。结果表明,酒精和尿素浓度的增加以及温度的升高导致CMC值升高。({Delta G}_{text{m}}^{0})值为负值表明CPC + CV体系的胶束形成是一个自发过程,而({Delta H}_{text{m}}^{0})和({Delta S}_{text{m}}^{0})值的评估表明疏水力和静电力的作用。此外,传递热力学(({Delta G}_{text{m},text{tr}}^{0}), ({Delta H}_{text{m},text{tr}}^{0})和({Delta S}_{text{m},text{tr}}^{0})))和焓熵补偿参数进行了全面的评估和回顾,为优化表面活性剂和添加剂在染色应用中的使用提供了有价值的见解。图形摘要
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引用次数: 0
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