Surfactant Interactions Research Articles

Investigation of the synergistic effects of SiO2 and Al2O3 nanoparticles with SDS and CTAB surfactants on the stability and improving phase behavior of water-oil emulsions

The stability of emulsions is a significant challenge across various industries, including food, pharmaceutical, and petroleum. Surface-active agents utilized for enhanced oil recovery often exhibit inadequate performance under reservoir conditions with high salinity, presenting a critical barrier to effective emulsion stabilization. Furthermore, due to the extreme hydrophilic or hydrophobic nature of nanoparticles (NPs), they are not effective in stabilizing emulsions on their own. To address this limitation, a minimal quantity of surfactant was introduced into the NPs to improve their wettability and achieve dual wettability. This research has examined the synergistic effects of SiO₂ and Al₂O₃ NPs combined with sodium dodecyl sulfate (SDS) and cetyltrimethylammonium bromide (CTAB) surfactants on water-oil emulsion stability. This approach enhances emulsion stability by combining the stabilizing effects of both the NPs and the surfactants, an aspect that has not been previously addressed in phase behavior studies through the examination of the interactions and surface behavior of surfactant-nanoparticle complexes at the oil-water interface. Several experiments, including phase behavior, FT-IR, zeta potential, contact angle, and interfacial tension (IFT) tests, were performed to evaluate the interaction of surfactants with NPs. The results demonstrate that combining NPs with surfactants, especially those with opposite charges, significantly reduces IFT to the order of 10−6 mN/m, which can overcome capillary pressure, and enhances optimal salinity levels even up to 75000 ppm. Interactions between CTAB-SiO₂ and SDS-Al₂O₃ notably improve the hydrophobicity of NPs, resulting in IFT reductions of 11.4 and 7 mN/m, respectively, compared to NPs alone.

Adsorption behavior of in-house developed CO2-philic anionic surfactants

Incorporating CO2-philic functionalities into surfactant structure is proposed to address the drawbacks of conventional foaming agents such as premature rupture of lamellae in contact with oil, surfactant loss due to adsorption on rock or partitioning between oil and water, and salinity and temperature tolerance issues. Increased activity at the gas/water interface and less surfactant adsorption to the rock due to the presence of CO2-philic chains results in higher foam durability in the presence of oil. In the present paper, a comprehensive study on the adsorption of anionic CO2-philic surfactants onto sandstone rock surface is performed to understand adsorption mechanisms through the addition of CO2-philic tail groups in surfactant structure by observing the changes in concentration, static adsorption, and point of zero charge measurements. The static adsorption tests, Fourier Transform Infrared, and the X-ray Photoelectron Spectroscopy techniques were employed to investigate the interaction of surfactants with crushed Berea sandstone core sample at 90 °C. The static adsorption values of the S (single-tail), D (double-tail), and T (triple-tail) anionic surfactants were reported to be 0.53, 0.40, and 0.6 mg /g, respectively. The effect of alkali on the adsorption process of surfactants was also investigated and the adsorption of synthesized surfactants was found significantly low in alkaline conditions. A variety of analyses, including model fitting along with kinetics and thermodynamics studies at 30, 40, and 50 °C were performed to predict the adsorption behavior. The adsorption isotherm was found to best fit in Langmuir model. The process showed the best fit in the pseudo-second-order reaction kinetics model. The spontaneity of the adsorption process was verified by thermodynamic feasibility studies of the process.

SDBS-AEO Mixture for Triton X-100 Replacement: Surface Activity and Application in Biosensors.

Triton X-100 (TX-100) is a commonly used surfactant in the manufacture of biosensors. The factors limiting the use of TX-100 in biosensors are environmental concerns. In this study, the binary system of sodium dodecyl benzene sulfonate (SDBS) and fatty alcohol-polyoxyethlene ether (AEO) was investigated from the physicochemical principle of surfactant interaction and its application in biosensors. The results demonstrated that a mixture of SDBS and AEO at an appropriate molar ratio had a comparable activity to TX-100 in terms of surface activity, micelle formation, dynamic adsorption, foaming, emulsifying, and cell permeability. Theory and experimentation support the idea that SDBS-AEO might take the place of TX-100 in the manufacturing of biosensors. This study contributes to the development of alternatives to TX-100 and provides a new perspective for an in-depth study of the interaction mechanism of additives in biosensor design.

Polymerized whey protein-SDS interactions at their high concentrations

Protein-surfactant interactions have been an ongoing topic of interest for many decades. Applications involving complexes of proteins and surfactants are relevant in food, pharmaceuticals, hygiene, molecular characterization, and other fields. In this study, the interactions of polymerized whey proteins (PWP) and sodium dodecyl sulfate (SDS) at high concentrations are investigated. Different characterization techniques are used, including electrical conductivity, turbidity, isothermal titration calorimetry, dynamic light scattering, dilute solution viscometry, rheology, and surface hydrophobicity to elucidate information on the modes and extent of interactions. Results indicate that PWP-SDS interactions produce highly extended, worm like micelles, with SDS decorating PWP chains and covering non-polar residues. PWP can host SDS up to quite high surfactant to protein ratios (SPR), producing solutions that are highly viscous with shear thickening properties, yet with no networking or gelation. Interestingly, dilution of high viscosity PWP-SDS solutions leads to even smaller size of PWP-SDS molecular complex as compared with PWP without SDS. The current study extends the vision of protein surfactant interactions by examining concentration range beyond that found in literature. The results reveal insights that can help expand studies on other systems and find applications in various fields including coatings, cosmetics, food ingredients, drug transport, and disease treatment.

The Dynamic Impact of Synthetic Dyes on the Physicochemical Parameters of Cationic and Anionic Surfactants

Introduction: The interaction of dyes (crystal violet, malachite green, and congo red) with cationic (cetrimide) and anionic surfactants (sodium dodecyl sulfate) in the aqueous medium were studied via conductometric and UV-visible spectroscopy. Method: The critical micelle concentration (CMC) of both cetrimide and SDS upsurges in all the selected dyes on increasing the temperature. Thermodynamic parameters like change in Gibb’s free energy of micellization (Δ G°m ), change in enthalpy of micellization (Δ H°m ) as well as change in entropy of micellization (Δ S°m ) were calculated by employing mass action model. Result: The Δ S°m values obtained are positive with Δ G°m and Δ H°m values being negative signified that the phenomenon of micellization is spontaneous as well as exothermic in nature. Moreover, the more negative Δ H°m in water as well as in the presence of dyes signify the presence of electrostatic forces of attraction between the oppositively charged dyes and surfactant moieties. UV-spectroscopy reveals that spectral changes occur because of the interaction of surfactants with dye molecules. Conclusion: By analyzing shifts in absorption peaks, changes in intensity, and alterations in band shape, insights into the nature of surfactant-dye complexes and their potential applications in various industries can be assessed. This understanding can help in the design and optimization of products and processes involving surfactants and dyes.

Effect of percentage of methanol on micellization position of mixed surfactant interaction in the absence and presence of dye

The interaction behavior of mixed surfactant-dye systems, i.e., anionic surfactant sodium dodecyl sulfate (SDS), cationic surfactant cetyl pyridinium chloride (CPC), and dye methyl orange (MO) was investigated through the allocation of micelles using conductivity measurements. Conductivity as a function of surfactant concentration was monitored to calculate the critical micelle concentration (CMC). The conductivity increased sharply as the surfactant content increased, according to the results. Moreover, the conductivity rises with temperature, whereas it falls with increased methanol (CH3OH). CH3OH-H2O mixed solvent media containing 0 %, 10 %, 20 %, and 30 % of CH3OH at 298.15, 308.15, and 318.15 K to work out the basic micelle fixation, gives significant understanding to the arrangement of the mixed surfactants. The CMC and degree of micellar dissociation (α) of SDS with CPC increase in the CH3OH and H2O mixture. The CMC and α values are increased by increasing the temperature. Various thermodynamic parameters, i.e. Standard free energy of micellization (ΔGmo), Standard enthalpy of micellization (ΔHmo), and Standard entropy of micellization (ΔSmo) were computed in SDS-CPC without MO. ΔGmo values for SDS-CPC in the presence of MO results in micellization more probable with MO.

The role of nanoparticle–surfactant interactions in air-stabilized foams used for improving oil recovery

Foam flooding, an emerging tertiary oil recovery technique, demonstrates efficacy as a conformance control method in enhanced oil recovery. Conformance control mitigates injected displacement fluid channeling and bypassing, improving macroscopic sweep efficiency. Generated foamed films preferentially enter high permeability zones, diverting subsequent injection into unswept lower permeability regions. Nanoparticle-reinforced foams exhibit consistent bulk stability and effective residual oil mobilization. This work utilizes dynamic foam analysis to probe the synergistic effects of zinc oxide nanoparticles and anionic surfactant on foam generation and persistence. Bulk and local scale foam stability is evaluated under various potassium chloride concentrations. Optimal foam stability occurs near the critical micelle concentration of the surfactant at 2,500 ppm. Increasing electrolyte concentration within a fixed surfactant formulation decreases foam stability due to salt-induced micellar swelling. An optimized electrolyte and nanoparticles with a surfactant combination produce high-quality foam with increased bubble density per unit area. Micellar swelling by nanoparticle adsorption inhibits lamellae thinning and liquid drainage. Enhanced foam properties improve microscopic displacement efficiency and mobility control in foam-assisted oil recovery. Oil recovery is increased by approximately 22% compared to conventional waterflooding.

Mechanical properties of agarose hydrogels tuned by amphiphilic structures

Agarose is a biocompatible polysaccharide that is capable to form physically cross-linked hydrogels in aqueous dispersion. These materials offer a wide range of applications and are commonly used in the food industry or electrophoresis. Moreover, due to their favourable characteristics (biocompatibility, high water absorption, porosity), agarose hydrogels have recently also found applications also in drug delivery systems, wound dressing, and extracellular matrix (ECM) modelling. This paper presents a comprehensive rheological characterization of agarose hydrogels with various self-assembled amphiphilic structures (CTAB, TTAB, SDS, Tween 20) acting as simple membrane structure models. These findings demostrated that the presence of surfactants of diverse charge above their critical micellar concentration (CMC) can enhance hydrogel mechanical properties. Moreover, pronounced enhancement was observed for cationic surfactant, and even concentrations below CMC resulted in a higher stiffness of the hydrogel. Therefore, both the electrostatic effect and the amphiphilic structure effect can have a significant impact on the rheological properties on agarose hydrogels. These findings are of a significant interest in the field of polymer and surfactants interactions, since agarose is widely considered essentially uncharged. However, it is assumed, that traces of negatively charged groups on the agarose backbone can have a significant impact when interacting with oppositely charged surfactants. Moreover, these findings could be beneficial for better understanding of interaction of polysaccharides (e.g. agarose) and self-assembled amphiphilic structures and can also be considered as a crude model of ECM in which membrane structures are embedded.

Marangoni flows triggered by cationic-anionic surfactant complexation

HypothesisThe gradients in surfactant distribution at a fluid-fluid interface can induce fluid flow known as the Marangoni flow. Fluid interfaces found in biological and environmental systems are seldom clean, where mixtures of various surfactants are present. The presence of multi-component surfactant mixtures introduces the possibility of interactions among constituents, which may impact Marangoni flows and alter flow dynamics. ExperimentsWe employed flow visualization, surface tension and reaction kinetic measurements, and numerical simulations to quantitatively investigate the Marangoni flows induced by the reacting surfactant mixtures. Different binary surfactant mixtures were utilized for comparative analysis. FindingsThe impact of surfactant interactions on Marangoni flows is confirmed through the observation of diverse complex flow patterns that result from the combination of oppositely charged surfactants in varying composition ratios and concentrations. Unique flow patterns originate from the composition-dependent interfacial phenomena upon mixing surfactants. Our findings provide vital insights that could be used to guide the development of effective oil remediation or the spreading of waterborne pathogens in contaminated regions.

SDS and TX-100 performance in removing Cd ion from contaminated sand in flushing column

In this study, contaminated sand by cadmium (Cd2+) ion was cleansed by surfactant foam in a flushing column. The ability to remove Cd2+ ion on the sand surface influenced by the surfactant's properties. The Sodium dodecyl sulfate (SDS) as an anionic surfactant was compared with Triton X-100 (TX-100) non anionic surfactant in their ability to remove the metal ion on the sand surface in the flushing column. The loading time, surfactant concentration, and flow rate of the surfactant were then investigated to confirm the charging effect of surfactant in the ability to remove metal ions. The results show that SDS has a higher ability than TX-100 to remove the Cd2+ ion on the sand surface. The optimal removal efficiency by SDS was 52 %, and TX 100 was 47 %. The loading time impacted surfactant interaction with metal ions in the column, showing that a longer loading time will increase the removal efficiency. Increased concentration of surfactants and more prolonged initial flushing tend to remove higher metal ions, indicating that the residual metal ion was flushing out on the first four pore volume removals. Flushing in a column with foam by anionic surfactant shows a higher ability to remove metal ions on the sand surface.

Interaction of anionic dye ethyl orange and cationic CnTAC surfactants: A multi technique investigation

This research presents the application of electrical conductivity measurements to ascertain the critical micelle concentration (CMC) values for N-alkyltrimethylammonium chloride surfactants (CnTAC; with alkyl chain lengths of n = 12, 14, 16, and 18). Complementary spectrophotometric analysis was conducted to probe the interactions between CnTAC series and Ethyl Orange (ETO), an anionic dye. Applying the Benesi-Hildebrand and Scott equations, we evaluated the binding constant (Kb) of the cationic micelles’ interaction with ETO, which in turn facilitated calculations of Gibb’s free energy (ΔG°) changes. These calculations provided insight into the binding affinity of ETO to the micelles. Our findings suggest that the interaction between ETO and CnTAC is contingent on the surfactant concentration, with higher concentrations leading to a disassociation of the ETO-CnTAC complex and a reduction in ETO adsorption. Notably, the alkyl chain length within CnTAC molecules critically affects various properties, including ΔG°, CMC, and other thermodynamic parameters that determine the surfactant’s energetic behavior. The study underscores the importance of the alkyl chain length in dictating the interaction dynamics and properties of CnTAC surfactants. A trend was observed where longer alkyl chains lead to increased Kb values and reductions in both CMC and ΔG°, enhancing dye solubilization and interaction spontaneity. The affinity sequence of ETO to the micelles, influenced by alkyl chain length, was found to be C12TAC < C14TAC < C16TAC < C18TAC.

Molecular interaction of nonsteroidal anti‐inflammatory prodrug nepafenac with ionic surfactants

AbstractDrug‐surfactant interaction increases the solubility of poorly water‐soluble drugs and design better pharmaceutical formulations. The degree of interaction of nepafenac (NP), a nonsteroidal anti‐inflammatory prodrug was studied with ionic surfactant molecules such as cationic surfactant cetrytrimethyl ammonium bromide (CTAB) and anionic surfactant sodium dodecyl sulphate (SDS) in an aqueous medium at room temperature. NP made mixed micelles with CTAB and SDS. To investigate the influence of interactions, conductivity measurements, UV–visible spectroscopy, and fluorescence measurements were recorded. The quantification of NP–surfactant interactions was investigated using various mathematical models. The CMC values determined from conductivity measurements of pure surfactants were 0.96 mM for CTAB and 8.14 mM for SDS near to their literature values. At different mole fractions of NP in UV measurements, binding constants from lnKb were found 0.025 and 0.123 and number of NP molecules per micelles (n) 67, 46 for CTAB and SDS, respectively. The mixed micelles of NP–CTAB and NP–SDS revealed that CTAB has a strong interaction with NP than SDS. The Benesi–Hildebrand relationship, Stern–Volmer and Kawamura replica for the partition coefficient were used to confirm the findings. We are confident that the host–guest interaction mechanism can contribute to a better understanding of molecular recognition in the phospholipid membrane model.

Dual-Emission Single Sensing Element-Assembled Fluorescent Sensor Arrays for the Rapid Discrimination of Multiple Surfactants in Environments.

Surfactants are considered as typical emerging pollutants, their extensive use of in disinfectants has hugely threatened the ecosystem and human health, particularly during the pandemic of coronavirus disease-19 (COVID-19), whereas the rapid discrimination of multiple surfactants in environments is still a great challenge. Herein, we designed a fluorescent sensor array based on luminescent metal-organic frameworks (UiO-66-NH2@Au NCs) for the specific discrimination of six surfactants (AOS, SDS, SDSO, MES, SDBS, and Tween-20). Wherein, UiO-66-NH2@Au NCs were fabricated by integrating UiO-66-NH2 (2-aminoterephthalic acid-anchored-MOFs based on zirconium ions) with gold nanoclusters (Au NCs), which exhibited a dual-emission features, showing good luminescence. Interestingly, due to the interactions of surfactants and UiO-66-NH2@Au NCs, the surfactants can differentially regulate the fluorescence property of UiO-66-NH2@Au NCs, producing diverse fluorescent "fingerprints", which were further identified by pattern recognition methods. The proposed fluorescence sensor array achieved 100% accuracy in identifying various surfactants and multicomponent mixtures, with the detection limit in the range of 0.0032 to 0.0315 mM for six pollutants, which was successfully employed in the discrimination of surfactants in real environmental waters. More importantly, our findings provided a new avenue in rapid detection of surfactants, rendering a promising technique for environmental monitoring against trace multicontaminants.

Structure of the Bacterial Cell Envelope and Interactions with Antimicrobials: Insights from Molecular Dynamics Simulations.

Bacteria have evolved over 3 billion years, shaping our intrinsic and symbiotic coexistence with these single-celled organisms. With rising populations of drug-resistant strains, the search for novel antimicrobials is an ongoing area of research. Advances in high-performance computing platforms have led to a variety of molecular dynamics simulation strategies to study the interactions of antimicrobial molecules with different compartments of the bacterial cell envelope of both Gram-positive and Gram-negative species. In this review, we begin with a detailed description of the structural aspects of the bacterial cell envelope. Simulations concerned with the transport and associated free energy of small molecules and ions through the outer membrane, peptidoglycan, inner membrane and outer membrane porins are discussed. Since surfactants are widely used as antimicrobials, a section is devoted to the interactions of surfactants with the cell wall and inner membranes. The review ends with a discussion on antimicrobial peptides and the insights gained from the molecular simulations on the free energy of translocation. Challenges involved in developing accurate molecular models and coarse-grained strategies that provide a trade-off between atomic details with a gain in sampling time are highlighted. The need for efficient sampling strategies to obtain accurate free energies of translocation is also discussed. Molecular dynamics simulations have evolved as a powerful tool that can potentially be used to design and develop novel antimicrobials and strategies to effectively treat bacterial infections.

Real-time and quantitative investigation of zwitterionic surfactant interaction at oil-water interface: Interferometry experimental and MD simulation insights

In this work, the interaction performances at octadecane oil–water interface were investigated for zwitterionic surfactants of dodecyl dimethyl hydroxypropyl sulfobetaine (HSB-12) and hexadecyl dimethyl hydroxypropyl sulfobetaine (HSB-16) from both experimental and simulation insights. For macroscopic experiment, optical interferometry methodology was developed to real-time measure the interfacial interaction process and obtain the quantitative interfacial thickness and mass results. The four-step dynamic process (diffusion, adsorption, arrangement and aggregation) was characterized by kinetic analysis, indicating arrangement process as slow-limiting step. The rate of the four step process (diffusion rate k1(dif), adsorption rate k2(ads), arrangement rate k3(arr), and aggregation rate k4(agg)) is represented as k3(arr)<k1(dif),k2(ads),k4(agg). The Langmuir model was characterized by thermodynamic analysis, deducing the aggregation spontaneity of HSB-16 > HSB-12. The free energy of the aggregation stages of HSB-16 and HSB-12 was expressed as ΔGagg(HSB16)=-3.95 kJ/mol < ΔGagg(HSB12)=-3.13kJ/mol. For microscopic simulation, the interaction configurations and interaction energies were obtained through molecular dynamics simulation (MDS) calculation. The interaction stability and interaction strength were indicated to be HSB-16 > HSB-12. The interaction mechanism was explained by proposing molecular-orientation model below critical micelle concentration (CMC) and layer-interaction model above CMC. The different mechanisms were attributed to electronic attraction between surfactant molecules and hydrophobic interaction between surfactant and oil molecules. This work successfully constructs the interfacial platform for oil–water interface analysis, which not only elucidate the surfactant-oil intermolecular interactions but also provide mechanism understanding from macroscopic and microscopic scales.

Mechanism of surfactant interactions with feline coronavirus: A physical chemistry perspective

HypothesisSurfactants are inexpensive chemicals with promising applications in virus inactivation, particularly for enveloped viruses. Yet, the detailed mechanisms by which surfactants deactivate coronaviruses remain underexplored. This study delves into the virucidal mechanisms of various surfactants on Feline Coronavirus (FCoV) and their potential applications against more pathogenic coronaviruses. ExperimentsBy integrating virucidal activity assays with fluorescence spectroscopy, dynamic light scattering and laser Doppler electrophoresis, alongside liposome permeability experiments, we have analyzed the effects of non-ionic and ionic surfactants on viral activity. FindingsThe non-ionic surfactant octaethylene glycol monodecyl ether (C10EO8) inactivates the virus by disrupting the lipid envelope, whereas ionic surfactants like Sodium Dodecyl Sulfate and Cetylpyridinium Chloride predominantly affect the spike proteins, with their impact on the viral membrane being hampered by kinetic and thermodynamic constraints. FCoV served as a safe model for studying virucidal activity, offering a faster alternative to traditional virucidal assays. The study demonstrates that physicochemical techniques can expedite the screening of virucidal compounds, contributing to the design of effective disinfectant formulations. Our results not only highlight the critical role of surfactant-virus interactions but also contribute to strategic advancements in public health measures for future pandemic containment and the ongoing challenge of antimicrobial resistance.

Insights into Zwitterionic Surfactant Interactions at the Oil-Water Interface by Interferometry Experiments and MDS Calculations.

In this work, the interaction performance of zwitterionic surfactant [dodecyl dimethyl sulfopropyl betaine (DSB-12) and hexadecyl dimethyl sulfopropyl betaine (DSB-16)] at the n-octadecane oil surface is investigated from experimental and simulation insights. For a macroscopic experiment, interfacial interferometry technology was developed for real-time monitor interaction performances and to obtain the quantitative interfacial thickness and mass results. The Langmuir model was characterized by thermodynamic analysis, deducing the aggregation spontaneity of DSB-16 > DSB-12 with ΔGagg(DSB-16) = -5.94 kJ mol-1 < ΔGagg(DSB-12) = 24.08 kJ mol-1. A three-step dynamic model (adsorption, arrangement, and aggregation) was characterized by kinetic analysis, indicating arrangement process as slow-limiting step with k2(arr) < k1(ads), k3(agg). For microscopic simulation, and molecular dynamic (MD) method was utilized to theoretically investigate interaction performances and obtain the interfacial configuration and energy results. The interaction stability and interaction strength were indicated to be DSB-16 > DSB-12 with differences of final energy ΔEfin = 48-88 kcal mol-1. The interaction mechanism was explained by proposing the model of "response enhancement" and "deposition activity" for DSB-16 interactions, and "response decrease" and "elution activity" for DSB-12 interactions. The different performances can be attributed to the different interaction forms and forces of surfactants. This work provided a platform for performance and mechanism investigation between the surfactant molecule and oil surface, which is of great significance in reservoir exploitation and enhanced oil recovery (EOR).

Synthesis, self-assembly and surface-active properties of alkyl halide mediated imidazolium monomeric surfactants

Two imidazolium monomeric surfactants, that is, 1-tetradecyl-1H-imidazole [14IM] and 1-hexadecyl-1H-imidazole [16IM] has been synthesized and characterized by 1H NMR,13C NMR, FTIR, HRMS spectroscopies and thermogravimetric analysis (TGA) for number and types of protons and carbon, functional groups, estimation of molecular weight and thermal stability of these compounds. The conductivity was measured in double distilled water at four different temperatures, 288, 293, 298, and 303 K. The results showed that these surfactants behave as weak electrolytes. The density and viscosity data have shown the existence of strong interactions between imidazolium surfactants and solvent (water) molecules. The results obtained from Root’s equation indicate that surfactant–solvent interactions are important than surfactant–surfactant interactions in dilute solutions, that is, below critical micellar concentration. The values of constants obtained from Einstein and Moulik equations have revealed that there was stronger and significant interaction between imidazolium surfactants and water molecules below critical micellar region. The surface tension parameters have indicated that these surfactants are good contenders to lower the surface tension of air/water interface. The results obtained from surface tension data have shown that standard change in free energy of micellization (ΔG°mic) and adsorption (ΔG°ads) were negative, indicating that these surfactants molecules have spontaneous tendencies to form micelles in solution at higher concentration and to get adsorb at the air/water interface at lower concentration. The TGA has indicated good thermally stability and activation energy for thermal decomposition was found in the range of 37.26.26–98.20.20 kJ/mol.

Scrutinizing micellar transitions and interfacial properties in mixed micelles comprising sodium dodecyl sulfate and sodium oleate: A tensiometric and scattering insight

Mixed micellar systems play a pivotal role in numerous scientific and industrial applications due to their inimitable solution properties and potential for enhancing solubilization and emulsification processes. The present study unveils the mixed micellization behavior of two anionically charged surfactants, sodium dodecyl sulfate (SDS) and sodium oleate (SO), in aqueous solutions through a combination of solution viscosity, tensiometric and small-angle neutron scattering (SANS) techniques. The dynamic changes in the interfacial properties of the mixed micellar system as a function of the SDS-to-SO ratio are evaluated from surface tension measurements. The results offer an insight into the formation of the stable mixed micelles with the alteration in the critical micelle concentration (CMC) as a function of the composition of both surfactants and the nature of the interaction. Surface tension data disclose the thermodynamic aspects of micelle formation and the influence of surfactant interactions on the surface activity of the system. Complementing the surface tension measurements, SANS analysis was conducted to clarify the structural aspects of the SDS-SO mixed micelles. SANS inferred the micellar size, shape, and aggregation number (Nagg), thereby shedding light on the nanoscale organization of the micellar aggregates in the aqueous solution. By combining SANS and surface tension data, a comprehensive understanding of the mixed micellization behavior of SDS and SO is achieved, addressing both interfacial and structural aspects. A computational simulation approach has also been employed to obtain the optimized parameters, which provide a better understanding of the correlation of SDS and SO molecular orbital energy levels. The results underscore the importance of surface tension and structural characterization techniques to comprehend the behavior of mixed micelles fully.

Interaction of sodium dodecyl sulfate and cetyl trimethyl ammonium bromide surfactants with amantadine drug in aqueous solution: Conductometric and molecular dynamics studies

In the present work, the interaction of sodium dodecyl sulfate and cetyl trimethyl ammonium bromide surfactants with amantadine drug in aqueous solutions was studied using conductometric measurements and molecular dynamic simulation. Conductometric data were used to determine the critical micelle concentration (CMC) values of surfactants on various amantadine aqueous solutions at T= (300.2, 310.2 and 320.2) K and 0.1 MPa. The effect of amantadine concentration (m = 0.0005, 0.0010, 0.0015 and 0.002 mol.kg−1) on CMC of sodium dodecyl sulfate and cetyl trimethyl ammonium bromide surfactants was investigated. It was observed the CMC value of sodium dodecyl sulfate surfactant increases with increasing of amantadine concentration whereas the CMC values of cetyl trimethyl ammonium bromide surfactant decrease with increasing of amantadine concentration at the same temperature. Then, the thermodynamic properties such as standard Gibbs free energy, enthalpy, and entropy for micellization in aqueous solutions were determined. In addition, molecular dynamic simulation was carried out to understand the interaction sodium dodecyl sulfate and cetyl trimethyl ammonium bromide surfactants with amantadine at the molecular level and microscopic interactions. The root-mean-square deviations and electrostatic, hydrogen binding and hydrophobic interactions were determined by MD simulations. It was seen, the electrostatic and hydrogen bonding interactions play a crucial role in sodium dodecyl sulfate and amantadine aqueous system. The obtained results showed the simulation and experimental data are in agreement with each other.