Approach of different properties of alkylammonium surfactants using artificial intelligence and response surface methodology

Tenside, Surfactants, Detergents

Response surface methodology (RSM) and artificial neural networks (ANNs) architectures to predict the density, speed of sound, kinematic viscosity, and surface tension of aqueous solutions were developed. All models implemented using the root mean square error (RMSE) for training and validation phase were evaluated. The ANN models implemented show good values of R2 (upper than 0.974) and low errors in terms of average percentage deviation (APD) (lower than 2.92%). Nevertheless, RSM models present low APD values for density and speed of sound prediction (lower than 0.31%) and higher APD values around 5.18% for kinematic viscosity and 14.73% for surface tension. The results show that the different individual artificial neural networks implemented are a useful tool to predict the density, speed of sound, kinematic viscosity, and surface tension with reasonably accuracy.

An axisymmetric model for the analysis of dynamic surface tension

RSC Adv., 2015, 5, 7921–7931 

A quantitative treatment of dynamic surface tension data has been carried out with different mathematical approaches taking into account a diffusion-controlled mechanism. The classical model has been modified in order to achieve a better description of the experimental conditions by considering a finite diffusion domain. The domain has been fixed keeping the restriction that the surfactant concentration in this region should remain constant after the adsorption at the air–water interface, in such a way that the number of surfactant unimers is 30 times the number adsorbed at the interface. The finite diffusion restriction has been used both in 1D and axisymmetric models, the latter one being the most accurate and needing a smaller diffusion domain since it considers surfactant adsorption at a sphere resembling the physical experiments. A distorted sphere geometry taking into account the Laplace–Young equation has also been studied.