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Significance of higher moments for complete characterization of the travel time probability density function in heterogeneous porous media using the maximum entropy principle

The travel time formulation of advective transport in heterogeneous porous media is of interest both conceptually, e.g., for incorporating retention processes, and in applications where typically the travel time peak, early, and late arrivals of contaminants are of major concern in a regulatory or remediation context. Furthermore, the travel time moments are of interest for quantifying uncertainty in advective transport of tracers released from point sources in heterogeneous aquifers. In view of this interest, the travel time distribution has been studied in the literature; however, the link to the hydraulic conductivity statistics has been typically restricted to the first two moments. Here we investigate the influence of higher travel time moments on the travel time probability density function (pdf) in heterogeneous porous media combining Monte Carlo simulations with the maximum entropy principle. The Monte Carlo experimental pdf is obtained by the adaptive Fup Monte Carlo method (AFMCM) for advective transport characterized by a multi‐Gaussian structure with exponential covariance considering two injection modes (in‐flux and resident) and lnK variance up to 8. A maximum entropy (MaxEnt) algorithm based on Fup basis functions is used for the complete characterization of the travel time pdf. All travel time moments become linear with distance. Initial nonlinearity is found mainly for the resident injection mode, which exhibits a strong nonlinearity within first 5IY for high heterogeneity. For the resident injection mode, the form of variance and all higher moments changes from the familiar concave form predicted by the first‐order theory to a convex form; for the in‐flux mode, linearity is preserved even for high heterogeneity. The number of moments sufficient for a complete characterization of the travel time pdf mainly depends on the heterogeneity level. Mean and variance completely describe travel time pdf for low and mild heterogeneity, skewness is dominant for lnK variance around 4, while kurtosis and fifth moment are required for lnK variance higher than 4. Including skewness seems sufficient for describing the peak and late arrivals. Linearity of travel time moments enables the prediction of asymptotic behavior of the travel time pdf which in the limit converges to a symmetric distribution and Fickian transport. However, higher‐order travel time moments may be important for most practical purposes and in particular for advective transport in highly heterogeneous porous media for a long distance from the source.