TY - JOUR
T1 - An experimental and theoretical exploration of the impact of co-solvent on the micellization behaviour of ionic surfactants
AU - Fatma, Ishrat
AU - Sharma, Vivek
AU - Kumar Sharma, Praveen
AU - Cantero-López, Plinio
AU - Assad, Humira
AU - Sánchez, Julio
AU - Alegría-Arcos, Melissa
AU - Yañez, Osvaldo
AU - Chand Thakur, Ramesh
AU - Kumar, Ashish
N1 - Publisher Copyright:
© 2023 Elsevier B.V.
PY - 2023/9/1
Y1 - 2023/9/1
N2 - In current study, a combined experimental as well molecular modeling study on the effect of Ethyl lactate on the self-aggregation behaviour of N-Lauroyl sarcosine sodium salt (NLSS) and benzethonium chloride (BC) was done. It was found that the micellization phenomenon of both surfactants repressed on raising the concentration of the Ethyl lactate. The electrical conductivity measurements were utilized to calculate the CMC values. Moreover, thermodynamic factors were determined by employing temperature dependence of CMC values i.e. XCMC. The outcomes showed that CMC values of both surfactants rise on increasing the co-solvent concentration and it acts as H2O structure breaker. Values of ΔGm° are negative that becomes less negative on upsurging the concentration of co-solvent, which reveals that the micelle formation becomes less favorable at high fractions of Ethyl lactate + H2O. A systematic exploration of the impact of co-solvent on the self-aggregation behaviour is important in various fields like detergency, pharmaceuticals, etc.
AB - In current study, a combined experimental as well molecular modeling study on the effect of Ethyl lactate on the self-aggregation behaviour of N-Lauroyl sarcosine sodium salt (NLSS) and benzethonium chloride (BC) was done. It was found that the micellization phenomenon of both surfactants repressed on raising the concentration of the Ethyl lactate. The electrical conductivity measurements were utilized to calculate the CMC values. Moreover, thermodynamic factors were determined by employing temperature dependence of CMC values i.e. XCMC. The outcomes showed that CMC values of both surfactants rise on increasing the co-solvent concentration and it acts as H2O structure breaker. Values of ΔGm° are negative that becomes less negative on upsurging the concentration of co-solvent, which reveals that the micelle formation becomes less favorable at high fractions of Ethyl lactate + H2O. A systematic exploration of the impact of co-solvent on the self-aggregation behaviour is important in various fields like detergency, pharmaceuticals, etc.
KW - Conductivity
KW - Micellization
KW - Molecular Docking Simulations
KW - Radius of Gyration
KW - Surfactants
UR - http://www.scopus.com/inward/record.url?scp=85162140350&partnerID=8YFLogxK
U2 - 10.1016/j.chemphys.2023.111997
DO - 10.1016/j.chemphys.2023.111997
M3 - Article
AN - SCOPUS:85162140350
SN - 0301-0104
VL - 573
JO - Chemical Physics
JF - Chemical Physics
M1 - 111997
ER -