Correlation of Critical Micelle Concentration of Sodium Alkyl Benzenesulfonates with MolecularDescriptors

The hydrophobic-hydrophilic segment geometries of 36 sodium alkyl benzenesulfonates were fully optimized and calculated by abinitio RHF/6-31G（d）, quantum chemical data such as the charge density, the energy of molecular orbital and the dipole moment were obtained. Based on two topological descriptors and one quantum chemical descriptor, a significant quantitative structure-property relationship （QSPR） model for the critical micelle concentration （Cmc） of sodium alkyl benzenesulfonate surfactants was obtained by using the multiple linear regression technique. The good correlation coefficient of Re （0. 980） and cross-validation correlation coefficient Rcv^2 （0. 974） indicate the excellent capability and stability of the regression equation developed. In addition, linear relationships between logarithm of Cmc and the dipole moment of surfaetant hydrophobic hydrophilic segments for each homologous series have also been established with high correlation coefficient.

Long-lasting chemiluminescence by aggregation-induced emission surfactant with ultralow critical micelle concentration

The development of green and simple chemiluminescence(CL)systems with intensive and long-lasting emission is highly desirable in lighting and extension of their applications.In this study,it is found that the involvement of aggregation-induced emission(AIE)surfactant could greatly enhance the CL of luminol–H2O2–Co2+system.The inserted hydrophobic tetraphenylethylene fluorophore in AIE is able to increase the hydrophobicity of alkyl chain and decrease the critical micelle concentration(CMC)of surfactant.The synergistic effect of micelle-improved enrichment and CL resonance energy transfer endows luminol–H2O2–Co2+system intensive and long-lasting emission under neutral pH conditions(pH 7.4).The visible emission is still observed even after 60 min.Our study has opened a new avenue for exploring green and simple effective CL systems through AIE surfactant with unltralow CMC toward various applications in lighting,optical sensing,and photocatalysis,etc.

Prediction on Critical Micelle Concentration of Nonionic Surfactants in Aqueous Solution:Quantitative Structure-Property Relationship Approach

In order to predict the critical micelle concentration (cmc) of nonionic surfactants in aqueous solution,a quantitative structure-property relationship (QSPR) was found for 77 nonionic surfactants belonging to eight series. The best-regressed model contained four quantum-chemical descriptors,the heat of formation (ΔH),the molecular dipole moment (D),the energy of the lowest unoccupied molecular orbital (E_ LUMO ) and the energy of the highest occupied molecular orbital (E_ HOMO ) of the surfactant molecule; two constitutional descriptors,the molecular weight of surfactant (M) and the number of oxygen and nitrogen atoms (n_ ON ) of the hydrophilic fragment of surfactant molecule; and one topological descriptor,the Kier & Hall index of zero order (KH0) of the hydrophobic fragment of the surfactant. The established general QSPR between lg(cmc) and the descriptors produced a relevant coefficient of multiple determination:R 2=0.986. When cross terms were considered,the corresponding best model contained five descriptors E_ LUMO ,D,KH0,M and a cross term n_ ON ·KH0,which also produced the same coefficient as the seven-parameter model.

A Method for Determination of Critical Micellar Concentration of Surfactant

Measure the chemiluminescence value of acridine compound as luminescent agent in the surfactant solution with a series of concentrations,according to the value of the obtained luminescent value and the value of the corresponding surfactant concentration in the surfactant solution,linear fitting is carried out to obtain several fitting lines,and the minimum value of the surfactant concentration corresponding to the intersection of the two adjacent fitting lines is the critical micelle concentration of the surfactant.According to the results,the critical micelle concentration of Dodecyl trimethyl ammonium chloride is 11.5 mmol/L,Hexadecyl trimethyl ammonium Bromide is 0.357 mmol/L,Sodium dodecyl sulfate is 7.64 mmol/L,sodium N-lauroylsarcosinate is 0.890 mmol/L,Triton X-100 is 0.309 mmol/L,3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate is 9.53 mmol/L,3-(N,N-dimethyldodecylammonio)propanesulfonate is 1.73 mmol/L.The results were similar to those obtained by traditional methods,the method can be used in the study of critical micelle concentration of surfactants.

Physico-chemical parameters for the assembly of moxifloxacin hydrochloride and cetyltrimethylammonium chloride mixture in aqueous and alcoholic media

The aggregation behavior of the mixture of cetyltrimethylammonium chloride(CTAC), a cationic surfactant, and moxifloxacin hydrochloride(MFH), a fourth-generation fluoroquinolone antibiotic drug, has been studied using the conductivity technique in aqueous and alcoholic(EtOH, 1-PrOH, and 2-BuOH)media. The study was performed at several temperatures between 298.15 and 323.15 K at 5 K intervals.The assembly has been characterized by evaluating the micellar parameters, such as the critical micelle concentration(CMC) and the counter ion binding(β), of the CTAC + MFH mixture. The values of the CMC for the assembly of the CTAC + MFH mixture were reliant on the composition of alcohols in the mixed solvents and the temperature. The CMC values of the CTAC + MFH mixture increased with increasing temperature;that is, assembly was delayed by increased temperature. The micellization of the CTAC + MFH mixed system was delayed in alcoholic media. The observed-ΔG0mvalues for the association of the CTAC + MFH mixed system demonstrated a spontaneous aggregation process under all study conditions.Based on the-ΔH^(0)_(m) and +ΔS^(0)_(m) values, the association of the CTAC + MFH mixture is exothermic and the interaction forces acting between the CTAC and MFH species are hydrophobic, ion–dipole, and electrostatic interactions. The transfer properties and enthalpy–entropy compensation were also assessed and described comprehensively.

Adsorption of Natural Surfactant on Sandstone in Enhanced Oil Recovery: Isotherms and Kinetics Studies

In chemical enhanced oil recovery, surfactants are injected into the reservoir with the intention to lower interfacial tension (IFT) between the water and oil phases, and thereby bring about efficient displacement of oil. However, the adsorption of the surfactants to reservoir rock surfaces leads to the loss and reduction in concentration of the surfactants, which in turn reduces the overall efficiency of the oil recovery process, with attendant financial losses. In this work, the adsorption of Quillaja Saponaria (QS), a novel, natural, non-ionic surfactant, on crushed sandstone reservoir rock is investigated. X-ray diffraction (XRD) study of clean sandstone particles has been undertaken to determine the main components present in the sand particles. The conductivity method was used to measure CMC and the surfactant concentrations in aqueous solutions. Batch adsorption experiments were used to determine the amount of QS adsorbed on rock surface. Equilibrium conditions were reached after almost 5 days. From the results of the study, the Langmuir isotherm model is more suited for predicting the adsorption behaviour of QS on sandstone. The kinetic adsorption of QS obeys the pseudo-second order model. This study is particularly relevant in surfactant selection for chemical EOR processes.

Synthesis and Surface Activity of Novel Triazole-based Cationic Gemini Surfactants

The synthesis and surfactant activities of two new cationic gemini surfactants containing triazole compound as spacer were described. Their critical micelle concentrations (CMC), which are 1.8×10-4 mol/L and 3.9×10-4 mol/L respectively, are much lower than that of conventional surfactant cetyltrimethyl ammonium chloride (CTAC). In addition, compared with some gemini surfactants containing phenylene, xylylene and stilbenyl as spacer, this new kind of surfactants has good solubility in water at room temperature because of containing more hydrophilic groups or atoms in molecules.

Functional characterization of a biosurfactant-producing thermo-tolerant bacteria isolated from an oil reservoir

A Bacillus subtilis strain JA-1 isolated from an oil reservoir was studied. This strain is capable of growth and producing biosurfactant at a temperature of 60 ℃. In nutrient medium it produced biosurfactant which reduced the surface tension from 68.2 mN/m to 28.3 mN/m, with the critical micelle concentration （CMC） of 48 mg/L. The measured surface tension indicated that the biosurfactant possessed stable surface activity at high temperature and a specific range of pH and salt concentrations. The results of thin layer chromatography （TLC） together with FT-IR showed that the metabolic product of strain JA-1 is a lipopeptide biosurfactant. The ability to growth at high temperature and to produce biosurfactant makes strain JA-1 promising for enhanced oil recovery.

Influence of Structural Variations on Electrical Conductivity and Solubility of 1-Vinyl-3-alkylimidazole Halogen Ionic Liquids

Several 1-vinyl-3-alkylimidazolium halogens [VRIM]X, which are functional materials with ethylenic bonds, were synthesized using the microwave-assisted synthesis method. Fourier transform infrared spectroscopy and 1H nuclear magnetic resonance spectroscopy were carded out to analyze the resultant structures. The electrochemical properties and solubility of [VRIM]Br were investigated and discussed in detail. The temperature dependence of pure [VRIM]Br over a wide temperature range of 298.15-323.15 K fitted the Arrhanius equation well. At certain low concentrations, the electrical conductivity of the [VRIM]Br solution significantly increased with increasing solution concentration. The electrical conductivities of the [VRIM]Br observed in water, methanol, and ethanol showed the trend σwater〉 σmethanol 〉σethanol Conductometry showed that the critical miceUe concentrations of the bromines in water, methanol, and ethanol were 6.8-6.9 × 10-6, 1.4-1.5 × 10-5, and 1.9-2.0×10-5 mol.L-1, respectively; these results indicate that [VRIM]Br is an excellent surfactant. The solubility of [VRIM]X in common solvents was determined at 293.15 K, and results indicated that a decrease in solubility could be observed with decreasing dielectric constant of the solvent, elongation of the alkyl chain of the cation, and increasing anion size. Solubility parameters were also determined according to the Hildebrand-Scoff equation.

Synthesis and surface activity of a novel heterodouble chained N-acyltaurate amphiphile

A novel double chained amphiphile, N-(α-4-hexylphenoxy)-lauroyltaurate (abbreviated as 10 + 6B-T), has been synthesized. The structures of main intermediate products and the title product were characterized by 1H NMR. The new amphiphile shows high surface activity. The critical micelle concentration (cmc), which is 1.1 × 10?5 mol/L, is much lower than that of conventional double chained surfactants, such as sodium bis(2-ethylhexyl)sulfosuccinate (AOT).

EFFECT OF ANIONIC SURFACTANT UPON THE VISCOSITY OF POLYMER GUAR GUM SOLUTIONS

The reduced viscosity of polymer guar gum solutions containing a certain concentration of sodium dodecyl benzene sulfonate （SDBS） was measured. It has been found that the Huggins coefficient kH of polymer solutions is very sensitive to the concentration of the surfactant, CSDBS, in solutions. If CSDBS is lower than CMC, the critical micelle concentration of SDBS, kH increases rapidly with CSDBS. On the other hand, if CSDBS is larger than CMC, kH decreases rapidly with CSDBS. Comparatively, the intrinsic viscosity of polymer solution does not show a notable change with CSDBS. The experimental results indicate that the interchain association of polymer guar gum in solution is greatly associated with SDBS interacted with polymer chains through hydrogen bonds. However, the effect of SDBS upon the intrachain association of polymer guar gum solution is negligible, presumably due to the fact that guar gum is a slightly stiffened random-coil chain polymer.

Synthesis and characterization of a novel amphiphilic biodegradable β-cyclodextrin/poly(γ-benzyl L-glutamate) copolymer

β-Cyclodextrin/poly（γ-benzyl L-glutamate） （β-CD-PBLG） copolymers were synthesized by ring-opening polymerization of N- carboxy-γ-benzyl L-glutamate anhydride （BLG-NCA） in N,N-dimethylformamide （DMF） initiated by mono-amino-β-cyclodextrin（H2N-β-CD）. The structures of the copolymers were confirmed by IR, ^1H NMR and GPC. The fluorescence technique was used to determine the critical micelle concentrations （CMC） of copolymer micell solution, the diameter and the distribution of micelles were characterized by DLS. The results showed that BLG-NCA could be initiated by H2N-β-CD to produce copolymer. The nanomicells were formed by these copolymers in water.

Emulsion Polymerization of Vinyl Acetate in the Presence of a New Cationic Surfactant

In this study, the emulsion homopolymerization system containing vinyl acetate, potassium persulfate, a new cationic polymeric surfactant and water was studied by the applying semi-continuous emulsion polymerization process. The effects of new polymeric emulsifier on the physicochemical properties of obtained vinyl acetate latexes were investigated depending on vinyl acetate percentage in the polymerization recipe, and two thermal initiators in homopolymerization.

Near-Infrared Hydrophobic Probes as Molecular Light Switch for CMC Determination of Triton X-100 Solution

The fluorescence behavior of two near-infrared (NIR) chromophores with linear alkyl chains of different lengths, 2-[4'chloro-7'(3'ethyl-2'benzothiazolinylidene)-3',5'-(1''',3'''-propanediyl)-1',3',5'-heptantriene-1'-yl]-3-ethylbenzo- thiazolium iodide (Probe I) and 2-[4'chloro-7'(3'hexadecyl-2'benzothiazolinylidene)-3',5'-(1''',3'''-propanediyl)- 1',3',5'-heptantriene-1'-yl]-3-ethylbenzothiazolium iodide (Probe II), in aqueous solution containing different con-centrations of surfactants was studied. The fluorescence of the probe with a short chain (probe I) was completely quenched in water and aqueous solution containing a low concentration (below the critical micelle concentration, CMC) of surfactant Triton X-100. However, the fluorescence reappeared and reached maximum rapidly once the concentration of the surfactant approached the CMC. The probe with a long chain (probe II) displayed a similar fluorescence behavior but more dramatically fluorescent recovery in Triton X-100 system, which gave a direct in-dication for the micelle forming process and provided a simple method for the determination of the critical micelle concentration of the surfactant. The CMC values determined by this method were in good agreement with those ob-tained by other techniques. The fluorescence behavior of the two probes in other surfactant systems was also inves-tigated.

Complexation Induced by Weak Interaction between DNA and PEO-b-P4VP below the CMC of the Polymer

The complexation between circular DNA and individual chains of PEO-b-P4VP with a relatively long PEO block and a short P4VP block is highly controllable when the interaction between DNA and the polymer is weak enough. When one circular DNA chain is taken into consideration, and the polymer concentration is far below its critical micelle concentration （CMC）, polymer chains are absorbed by DNA chain due to the interaction between the negatively charged DNA chain and the slightly positively charged P4VP block chains. After the adsorption/complexation, the DNA chain is converted into a nanoring （type 1）. In the nanoring, the DNA chain is sufficiently wrapped by the polymer and adopts a fully stretched conformation, so that the DNA compact ratio in the nanorings is close to 1. When the polymer concentration is close to but lower than the CMC, the free polymer chains in the solution are adsorbed not only by the DNA chain but also by the polymer chains that have already been adsorbed on the DNA chain. As a result, the circular DNA chain adsorbs more polymer chains, and thus the resultant nanoring （type 2） has a larger width. In the type 2 nanoring, the DNA chain is slightly compressed; the DNA compact ratio is only about 2-3. Therefore, complexation induced by the weak interaction between DNA and PEO-b-P4VP below the CMC can produce narrow-disperse and large nanorings with a perimeter of micrometers, which are difficult to prepare by existing methods.

Effects of rhamnolipid biosurfactant JBR425 and synthetic surfactant Surfynol465 on the peroxidase-catalyzed oxidation of 2-naphthol

The kinetics of the recombinant Coprinus cinereus peroxidase-catalyzed2-naphthol oxidationwas investigated in the presence of rhamnolipid biosurfactant JBR425 and synthetic surfactant Surfynol465 at pH 5.5 and25°C,with concentrations of （bio）surfactants both less than critical micelle concentrations （CMC） and larger than CMC. Itwas shown that monomers of JBR425 aswell as monomers of Surfynol465 had an enhancing effect on the conversion of2-naphthol indose response manner anddid not influence the initial rate of 2-naphthol oxidation. The resultswere accounted by a scheme,which contains a stadium of enzyme inhibition by oligomeric2- naphthol oxidation products. The action of the biosurfactant＇s （or synthetic surfactant＇s） monomerswas explained by avoidance of the enzyme active center clothingwith oligomers. Similar results havedemonstrated the potential of rhamnolipid biosurfactant JBR425due to its biodegradability. When biosurfactants＇ concentrations are larger than CMC, （bio）surfactants have an opposite effect on the oxidation of2-naphthol by peroxidase.

Effect of Penicillin G Potassium Salt on the Physicochemical Properties of SDS Aqueous Solution and the Release of the Salt in SDS/n-CsH11OH/H2O System

The effects of penicillin potassium salt （PenK） on the solubility, Krafft temperature TK, critical micelle concentration CMC of SDS micelle and the phase behavior of SDS/n-C5H11OH/H2O system were studied. The partial phase diagrams of SDS/PenK/H2O system at different temperatures were determined. The release amounts of PenK in SDS/n-C5H11OH/H2O system and the distribution coefficient of PenK between micelle and water were measured by UV-Vis spectroscopy. The results show that in the presence of PenK, the CMC of SDS was decreased while the TK of SDS was increased and the solubility of SDS in both water and SDS/n-C5H11OH/H2O oil in water （O/W） microemulsion was decreased, but increased in water in oil （W/O） microemulsion. SDS micelles and SDS/n- C5H11OH/H20 O/W microemulsion could accelerate the release rate of PenK. The addition of SDS and water could both increase the release rate of PenK, whereas the presence of n-C5H11OH reduced the release rate of PenK. The above results were related to the electrostatic repulsion between PenK and SDS.

Surface Properties and Etherification in Microemulsion Systems of Novel Bronsted Acid Surfactants

Novel Bronsted acid-surfactants with different alkyl chains were synthesized via a two-step process, and their surface properties were studied. The critical micelle concentration（cmc）, surface tension at the cmc（γcmc）, and ability of these compounds to lower the surface tension by 0.02 N/re（C20 and pC20） were investigated at 25 and 40 ℃. The molecular architecture of the compounds strongly influenced these physicochemical parameters. The ability of these compounds to lower surface tension was found to be good. Etherification in microemulsions formed by these surfactants as well as dodecylbenzenesulfonic acid（DBSA） was performed; surfactants 3a and 3b were found to be much more efficient than dodecylbanzenesulfonic acid（DBSA）.

Effects of fatty acid chain length and degree of unsaturation on the surface activities of monoacyl trehaloses

The surface properties of monoacyl trehaloses with different acyl chains were investigated at 30℃,40℃,50℃,and 60℃.Monoacyl trehaloses were enzymatically synthesized and purified with silica gel column chromatography and semi-preparative high-performance liquid chromatography(HPLC),and the purity of products was identified by mass spectrometry(MS)and nuclear magnetic resonance(NMR).The surface tension of monoacyl trehalose in pure water was measured using Doüy ring method at different temperatures.The critical micelle concentrations(CMC),surface tension at the CMC,γCMC,and residual area per molecule,a,were estimated from the curves.The CMC value of unsaturated monoacyl trehalose was affected by both the degree of unsaturation and the acyl chain length,and the effect of chain length on the CMC value was much stronger than that of the unsaturation degree.However,there was no significant dependency of theγCMC value and a values on the chain length or the unsaturated degree.

Accurate and sensitive probing of onset of micellization based on absolute aggregation-caused quenching effect

Probing the onset of micellization,or determining the critical micelle concentration(CMC),is of crucial importance while remains to be challenged by growing demand for extraordinary sensitivity and accuracy.Although fluorometry has attracted wide attention owing to its superiority in simplicity and sensitivity over other methods,the presence and fluctuation of background fluorescence of conventional fluorescent probes undermine the accuracy of CMC determination.Herein,a series of novel fluorescent probes without background fluorescence at a concentration below CMC owing to absolute aggregation-caused quenching(aACQ)are utilized for sensitive and accurate measurement of CMC.The aACQ probes aggregate spontaneously and instantly in an aqueous environment owing to molecular π-π stacking with fluorescence quenching absolutely.Therefore,the absence of background fluorescence at a concentration below CMC clears relevant interference associated with conventional fluorophores.In this study,the new method is applied for versatile surfactants with CMCs ranging from nanomolar to millimolar concentrations,especially copolymers with ultralow CMC.The higher sensitivity and accuracy are highlighted by comparison with conventional probes.