PMID- 29227489
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20180205
LR  - 20180205
IS  - 1463-9084 (Electronic)
IS  - 1463-9076 (Linking)
VI  - 20
IP  - 1
DP  - 2017 Dec 20
TI  - Synergism and aggregation behaviour in an aqueous binary mixture of 
      cationic-zwitterionic surfactants: physico-chemical characterization with 
      molecular simulation approach.
PG  - 670-681
LID - 10.1039/c7cp05917e [doi]
AB  - Aqueous interactions between a cationic surfactant benzyl 
      dimethylhexadecylammonium chloride (BDHAC) and alkyldimethylammoniopropane 
      sulfonates (C(n)DAPS) based three zwitterionic surfactants n = 10, 12, and 14 
      (abbreviated as C(10)DAPS, C(12)DAPS and C(14)DAPS, respectively) were studied 
      using tensiometry, and fluorescence spectrophotometry techniques. The critical 
      micelle concentration degree of synergism and various other parameters such as 
      interaction parameter (beta), activity coefficients (f(m)) and interfacial 
      parameters such as surface pressure (pi(CMC)), packing parameter (P), surface 
      excess concentration (Gamma(max)), surface tension at CMC (gamma(CMC)), and minimum area 
      per molecule (A(min)) were evaluated using the Regular Solution Theory (RST) of 
      mixed systems. The results indicate a strong dependency on the mixed system and 
      their composition. For the quantitative prediction, the molecular architecture of 
      the surfactants in mixed systems and their synergistic interactions were 
      investigated by computational simulation using Spartan'14 V1.1.8. The structural 
      optimization results obtained were found to be in good agreement with the 
      estimations made using RST. The reduction in surface tension indicates a certain 
      efficiency in mixed micelle formation owing to electrostatic attraction between 
      the cationic and zwitterionic surfactants. In addition, the binary surfactant 
      systems evaluated by Maeda's approach infer the mixed micelles are 
      thermodynamically stable. The aggregation number (N(agg)) appeared to be larger 
      at the composition point where the efficiency of mixed micelle formation is 
      greatest. The strength of the interaction between BDHAC and C(n)DAPS followed the 
      order: C(14)DAPS > C(12)DAPS > C(10)DAPS indicating a greater synergism at 0.25 
      molar ratio of zwitterionic surfactants to cationic surfactants in the aqueous 
      solution at 303.15 K.
FAU - Kanoje, Bharatkumar
AU  - Kanoje B
AD  - Applied Chemistry Department, Sardar Vallabhbhai National Institute of Technology 
      (SVNIT), Ichchhanath, Surat-395 007, Gujarat, India. ketankuperkar@gmail.com.
FAU - Padshala, Shailesh
AU  - Padshala S
FAU - Parikh, Jigisha
AU  - Parikh J
FAU - Sahoo, Suban K
AU  - Sahoo SK
FAU - Kuperkar, Ketan
AU  - Kuperkar K
FAU - Bahadur, Pratap
AU  - Bahadur P
LA  - eng
PT  - Journal Article
PL  - England
TA  - Phys Chem Chem Phys
JT  - Physical chemistry chemical physics : PCCP
JID - 100888160
EDAT- 2017/12/12 06:00
MHDA- 2017/12/12 06:01
CRDT- 2017/12/12 06:00
PHST- 2017/12/12 06:00 [pubmed]
PHST- 2017/12/12 06:01 [medline]
PHST- 2017/12/12 06:00 [entrez]
AID - 10.1039/c7cp05917e [doi]
PST - ppublish
SO  - Phys Chem Chem Phys. 2017 Dec 20;20(1):670-681. doi: 10.1039/c7cp05917e.