Agent-based modeling of nanoparticles at gas-liquid interface with emphasis on environmental systems

The main objective of this thesis is to investigate the effects of nanoparticles on surface tension in the presence of SDS at gas-liquid interface. This thesis also aims to model the behavior of same-charged and uncharged nanoparticles as well as SDS molecules with agent-based modeling approaches to simulate their effects on surface tension. Experimental results and agent-based models showed that agent-based models are capable of predicting the steady state of the surface tension. The relation between as average # nanoparticles at the interface and measured surface tension values are non-linear and this condition cannot be defined by normal distribution. Spearman and Kendall correlation analysis applied and their coefficients for the mentioned variables have been calculated as -0.999 and -0.995, respectively. Time correlation analysis for surface tension experiments and agent-based models has been done for the selected models. The results showed that each tick corresponds to 2.49 ms.