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Application of topological indices in estimating of the CMC value for surfactans in aqueous solutions

Key words:

graphs, topological indices, CMC, surfactants.


 Surface active agents (surfactants) are chemical structures consisting of two main parts: a polar head group and a nonpolar hydrophobic chain frequently called as the surfactant’s tail. In this work we have used topological indices such as Wiener’s number to describe the thermodynamic properties of surfactants in aqueous solutions. We have applied Wiener’s number for various ionic surfactants including both anionics and cationics. It was found that for changes in structure of the hydrophobic moiety of the surfactant isomers with constant total number of carbon atoms in the alkyl chain the value of logarithm CMC is a linear function of Wiener’s number. It was experimentally found for a homologue series of surfactants that the value of logarithm CMC is an exponential function of Wiener’s number with the exponent equal to 2/3 and it is invertially proportional to the total number of carbon atoms in the surfactant’s hydrophobic moiety. Those findings can be applied for prediction of numerical values of CMC for unknown isomers of ionic surfactants.

prof. dr hab. inż. Ryszard ZIELIŃSKI
Poznan University of Economics
Faculty of Commodity Science
Department of Technology and Instrumental Analysis
Aleja Niepodległości 10, 61-875 Poznań, Poland
Tel.: (+48) 61-8569056
Fax: (+48) 61-8543993
e-mail: This email address is being protected from spambots. You need JavaScript enabled to view it.

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