Micellization, aggregation, and molecular interactions involved in CTAB-Alizarin Red S complexation,Journal of Surfactants and Detergents

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Micellization, aggregation, and molecular interactions involved in CTAB-Alizarin Red S complexation
Journal of Surfactants and Detergents ( IF 1.6 ) Pub Date : 2022-08-03 , DOI: 10.1002/jsde.12618
Vinod Kumar ₁ , Jay Hingrajiya ₁ , Jigisha Modi ₂ , Vikram Rathod ₃ , Ketan Kuperkar ₁

Affiliation

Surfactant–dye complexation between anionic dye: Alizarin Red S (ARS) and cationic surfactant:cetyltrimethylammonium bromide (CTAB) was investigated in an aqueous medium at 303.15 K employing various physicochemical characterization to offer an understanding of the micellization conduct. Here, micellization and thermodynamic parameters have been calculated using the tensiometry and conductivity approach. The critical micelle concentration (CMC) of CTAB is observed to decrease in presence of ARS. The Gibbs energy of micellization (

∆ G_{mic}^{o}

) remains be negative on increasing the ARS content which indicated the spontaneity of the overall micellization process. Cyclic voltammetry (CV) reflected the impact of interactions between CTAB and ARS. ARS solubilization in CTAB micelles caused a red (bathochromic) shift in the ultraviolet–visible spectrum below the CMC thereby inferring that ARS undergoes J-type aggregation in the pre-micellar region. The intercept drawn following the Job's (corrected absorbance vs. CTAB volume ratio plot) method depicted the volume fractions of (equimolar) ARS (V_ARS) and CTAB (V_CTAB) expressed in v/v occurring at V_ARS/V_CTAB = 0.52/0.48, suggesting their stoichiometric ratio of 1:1 amid each molecule of ARS and CTAB leading to CTAB-ARS ion-pair complexation. A computational simulation method using molecular orbital energy calculations was used to evaluate the successive correlation between CTAB and ARS to comprehend the binding mechanism. The lower energy gap (ΔE) value of CTAB-ARS indicated the favorable interaction of ARS with CTAB. Thus, the present work will reflect the significance of surfactant–dye systems in analytical and biochemistry research; and may open novel possibilities in dye absorption and their applications in the removal of dyes using surfactants.

中文翻译：

CTAB-茜素红 S 络合中涉及的胶束化、聚集和分子相互作用

在 303.15 K 的水性介质中研究了阴离子染料茜素红 S (ARS) 和阳离子表面活性剂：十六烷基三甲基溴化铵 (CTAB) 之间的表面活性剂-染料络合，采用各种物理化学表征以提供对胶束化行为的理解。在这里，使用张力测定法和电导率方法计算了胶束化和热力学参数。观察到 CTAB 的临界胶束浓度 (CMC) 在 ARS 存在下降低。胶束化的吉布斯能 (

∆ G_{麦克风}^{o}

) 对增加 ARS 含量仍然是负面的，这表明整个胶束化过程的自发性。循环伏安法 (CV) 反映了 CTAB 和 ARS 之间相互作用的影响。ARS 在 CTAB 胶束中的溶解导致 CMC 以下的紫外-可见光谱发生红色（红移）偏移，从而推断 ARS 在胶束前区域发生 J 型聚集。按照 Job 的（校正吸光度与 CTAB 体积比图）方法绘制的截距描述了（等摩尔）ARS ( V _ARS ) 和 CTAB ( V _CTAB ) 的体积分数，以 v/v 表示，发生在V _ARS / V _CTAB = 0.52/0.48，表明它们在每个 ARS 和 CTAB 分子中的化学计量比为 1:1，导致 CTAB-ARS 离子对络合。使用分子轨道能量计算的计算模拟方法用于评估 CTAB 和 ARS 之间的连续相关性以理解结合机制。CTAB-ARS的较低能隙 (Δ E ) 值表明 ARS 与 CTAB 的良好相互作用。因此，目前的工作将反映表面活性剂-染料系统在分析和生物化学研究中的重要性；并可能为染料吸收及其在使用表面活性剂去除染料中的应用开辟新的可能性。

更新日期：2022-08-03

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