Interaction of methyl orange with cationic surfactant (DTAB) under the influence of anionic polyelectrolyte (NaCMC) in ethanol/water solvent mixtures: A UV–visible spectroscopic investigation

IF 4.2 Q2 CHEMISTRY, MULTIDISCIPLINARY Results in Chemistry Pub Date : 2025-03-01 DOI:10.1016/j.rechem.2025.102130
Shiv Narayan Yadav , Summi Rai , Biswajit Sinha , Ajaya Bhattarai
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According to the findings, the CMC* values calculated using spectroscopic data increase in the order listed below: (CMC*<span><math><mo>=</mo></math></span> 0.0200)<sub>0.3</sub><span><math><mo>&gt;</mo></math></span> (CMC*<span><math><mo>=</mo></math></span> 0.0182)<sub>0.2</sub> <span><math><mo>&gt;</mo></math></span> (CMC*<span><math><mo>=</mo></math></span> 0.0163)<sub>0.1</sub> <span><math><mo>&gt;</mo></math></span> (CMC* <span><math><mo>=</mo></math></span>0.0145)<sub>water</sub>. The Gibbs energy of micellization (<span><math><mo>∆</mo><msubsup><mi>G</mi><mtext>m</mtext><mtext>o</mtext></msubsup></math></span>)has a less negative value <span><math><mo>(</mo><mo>∆</mo><msubsup><mi>G</mi><mtext>m</mtext><mtext>o</mtext></msubsup><mo>=</mo></math></span> -19.07 kJ mol<sup>−1</sup>)<sub>0.3.</sub> <span><math><mo>&gt;</mo></math></span> <span><math><mo>(</mo><mo>∆</mo><msubsup><mi>G</mi><mtext>m</mtext><mtext>o</mtext></msubsup><mo>=</mo></math></span> -19.51 kJ mol<sup>−1</sup>)<sub>0.2</sub> <span><math><mo>&gt;</mo></math></span> <span><math><mo>(</mo><mo>∆</mo><msubsup><mi>G</mi><mtext>m</mtext><mtext>o</mtext></msubsup><mo>=</mo></math></span> -19.98 kJ mol<sup>−1</sup>)<sub>0.1.</sub> <span><math><mo>&gt;</mo></math></span> <span><math><mo>(</mo><mo>∆</mo><msubsup><mi>G</mi><mtext>m</mtext><mtext>o</mtext></msubsup><mo>=</mo></math></span> -20.45 kJ mol<sup>−1</sup>)<sub>water</sub>with increasing ethanol contents in the solvent mixture, which also validates that raising the ethanol concentration inhibits micellization. On the other hand, the overall value of the binding constant increases in the trend: (<span><math><msub><mi>K</mi><mtext>b</mtext></msub><mo>=</mo></math></span>119.41)<sub>water</sub> <span><math><mo>&lt;</mo></math></span>(<span><math><msub><mi>K</mi><mtext>b</mtext></msub><mo>=</mo></math></span>1152.71)<sub>0.1</sub> <span><math><mo>&lt;</mo></math></span> (<span><math><msub><mi>K</mi><mtext>b</mtext></msub><mo>=</mo></math></span>1248.55)<sub>0.2</sub> <span><math><mo>&lt;</mo></math></span> (<span><math><msub><mi>K</mi><mtext>b</mtext></msub><mo>=</mo></math></span>1304.05)<sub>0.3</sub><span><math><mo>,</mo></math></span> and <span><math><mo>∆</mo><msubsup><mi>G</mi><mtext>b</mtext><mtext>o</mtext></msubsup><mspace></mspace></math></span>drops in the order: (<span><math><mo>∆</mo><msubsup><mi>G</mi><mtext>b</mtext><mtext>o</mtext></msubsup><mo>=</mo></math></span>−11.85 kJ mol<sup>−1</sup>)<sub>water</sub> <span><math><mo>&gt;</mo></math></span> (<span><math><mo>∆</mo><msubsup><mi>G</mi><mtext>b</mtext><mtext>o</mtext></msubsup><mo>=</mo></math></span>-17.48 kJ mol<sup>−1</sup>)<sub>0.1</sub> <span><math><mo>&gt;</mo></math></span>(<span><math><mo>∆</mo><msubsup><mi>G</mi><mtext>b</mtext><mtext>o</mtext></msubsup><mo>=</mo></math></span>-17.67 kJ mol<sup>−1</sup>)<sub>0.2</sub> <span><math><mo>&gt;</mo></math></span>(<span><math><mo>∆</mo><msubsup><mi>G</mi><mtext>b</mtext><mtext>o</mtext></msubsup><mo>=</mo></math></span>-17.78 kJ mol<sup>−1</sup>)<sub>0.3</sub><span><math><mo>.</mo></math></span> A higher binding constant (<em>K</em><sub>b</sub>) value indicates enhanced MO-DTAB-NaCMC interactions in the after-micellar region. This is validated by the feasibility of the processes, as indicated by a drop in the standard Gibbs binding energy (<span><math><mo>∆</mo><msubsup><mi>G</mi><mtext>b</mtext><mtext>o</mtext></msubsup></math></span>). Variation of <span><math><mo>∆</mo><msubsup><mi>G</mi><mtext>m</mtext><mtext>o</mtext></msubsup></math></span> with various solvents and solvophobic parameters additionally offers important insights into the thermodynamic stability, solvent polarity, fluidity, micellization, and strength of DTAB-NaCMC interaction in ethanol-water mixture solvent with MO. The blue spectral shifts indicate that the interaction mechanism was primarily influenced by the solvent composition. The results of this study will shed light on our knowledge of intricate molecular interactions between dye, surfactant, polyelectrolyte, and the impacts of other co-solvents/additives and also have the consequences throughout numerous domains of science, ecology, cosmetics, pharmaceutics, drug delivery, and wastewater treatment.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102130"},"PeriodicalIF":4.2000,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Results in Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2211715625001134","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
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Abstract

The purpose of this novel investigation is to thoroughly examine and assess the spectral properties of methyl orange (MO) and its impact on the micellization behavior of dodecyl trimethylammonium bromide (DTAB) in sodium carboxymethyl cellulose (NaCMC) solution in various volume (vol.) fractions of ethanol in water (0, 0.1, 0.2, and 0.3) at 298.15 ± 0.2 K. According to the findings, the CMC* values calculated using spectroscopic data increase in the order listed below: (CMC*= 0.0200)0.3> (CMC*= 0.0182)0.2 > (CMC*= 0.0163)0.1 > (CMC* =0.0145)water. The Gibbs energy of micellization (Gmo)has a less negative value (Gmo= -19.07 kJ mol−1)0.3. > (Gmo= -19.51 kJ mol−1)0.2 > (Gmo= -19.98 kJ mol−1)0.1. > (Gmo= -20.45 kJ mol−1)waterwith increasing ethanol contents in the solvent mixture, which also validates that raising the ethanol concentration inhibits micellization. On the other hand, the overall value of the binding constant increases in the trend: (Kb=119.41)water <(Kb=1152.71)0.1 < (Kb=1248.55)0.2 < (Kb=1304.05)0.3, and Gbodrops in the order: (Gbo=−11.85 kJ mol−1)water > (Gbo=-17.48 kJ mol−1)0.1 >(Gbo=-17.67 kJ mol−1)0.2 >(Gbo=-17.78 kJ mol−1)0.3. A higher binding constant (Kb) value indicates enhanced MO-DTAB-NaCMC interactions in the after-micellar region. This is validated by the feasibility of the processes, as indicated by a drop in the standard Gibbs binding energy (Gbo). Variation of Gmo with various solvents and solvophobic parameters additionally offers important insights into the thermodynamic stability, solvent polarity, fluidity, micellization, and strength of DTAB-NaCMC interaction in ethanol-water mixture solvent with MO. The blue spectral shifts indicate that the interaction mechanism was primarily influenced by the solvent composition. The results of this study will shed light on our knowledge of intricate molecular interactions between dye, surfactant, polyelectrolyte, and the impacts of other co-solvents/additives and also have the consequences throughout numerous domains of science, ecology, cosmetics, pharmaceutics, drug delivery, and wastewater treatment.

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阴离子聚电解质(NaCMC)影响下甲基橙与阳离子表面活性剂(DTAB)在乙醇/水溶剂混合物中的相互作用:紫外可见光谱研究
本研究的目的是全面研究和评估甲基橙(MO)的光谱特性及其对十二烷基三甲基溴化铵(DTAB)在羧甲基纤维素钠(NaCMC)溶液中在不同体积(vol.)分数(0,0.1,0.2和0.3)水中(298.15±0.2 K)胶束行为的影响。根据研究结果,利用光谱数据计算的CMC*值按以下顺序递增:(CMC*= 0.0200)0.3>;(CMC*= 0.0182)0.2 >;(CMC*= 0.0163)0.1 >;水(CMC * = 0.0145)。胶束化的吉布斯能(∆Gmo)的负值较小(∆Gmo= -19.07 kJ mol−1)0.3。比;(∆Gmo= -19.51 kJ mol−1)0.2 >;(∆Gmo= -19.98 kJ mol−1)0.1。比;(∆Gmo= -20.45 kJ mol−1)随着溶剂混合物中乙醇含量的增加而增加,这也验证了提高乙醇浓度可以抑制胶束作用。另一方面,结合常数的总体值呈增加趋势:(Kb=119.41)water <(Kb=1152.71)0.1 <;(Kb = 1248.55) 0.2 & lt;(Kb=1304.05)0.3,∆Gbo滴度依次为:(∆Gbo= - 11.85 kJ mol - 1)water >;(∆Gbo = -17.48 kJ摩尔−1)0.1祝辞(∆Gbo = -17.67 kJ摩尔−1)0.2祝辞(∆Gbo = -17.78 kJ摩尔−1)0.3。较高的结合常数(Kb)值表明MO-DTAB-NaCMC在后胶束区相互作用增强。标准吉布斯结合能(∆Gbo)的下降表明,这些过程的可行性证实了这一点。∆Gmo随不同溶剂和疏溶剂参数的变化,也为研究DTAB-NaCMC在乙醇-水混合溶剂中与MO相互作用的热力学稳定性、溶剂极性、流动性、胶束化和强度提供了重要的信息。蓝色光谱位移表明,相互作用机制主要受溶剂组成的影响。这项研究的结果将阐明我们对染料、表面活性剂、聚电解质之间复杂的分子相互作用以及其他共溶剂/添加剂的影响的认识,并对科学、生态学、化妆品、制药、药物输送和废水处理等众多领域产生影响。
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来源期刊
Results in Chemistry
Results in Chemistry Chemistry-Chemistry (all)
CiteScore
2.70
自引率
8.70%
发文量
380
审稿时长
56 days
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