A Critical Review of the Modelling Tools for the Reactive Transport of Organic Contaminants

Abstract

Featured Application: This paper helps to summarize the most relevant information on reactive transport models used to simulate the transport of hydrocarbons. The authors hope that this paper will be very useful for future modelers, stakeholders, and scientists, and will help them to select the most appropriate tools or to create new models. The pollution of groundwater and soil by hydrocarbons is a significant and growing global problem. Efforts to mitigate and minimise pollution risks are often based on modelling. Modelling-based solutions for prediction and control play a critical role in preserving dwindling water resources and facilitating remediation. The objectives of this article are to: (i) to provide a concise overview of the mechanisms that influence the migration of hydrocarbons in groundwater and to improve the understanding of the processes that affect contamination levels, (ii) to compile the most commonly used models to simulate the migration and fate of hydrocarbons in the subsurface; and (iii) to evaluate these solutions in terms of their functionality, limitations, and requirements. The aim of this article is to enable potential users to make an informed decision regarding the modelling approaches (deterministic, stochastic, and hybrid) and to match their expectations with the characteristics of the models. The review of 11 1D screening models, 18 deterministic models, 7 stochastic tools, and machine learning experiments aimed at modelling hydrocarbon migration in the subsurface should provide a solid basis for understanding the capabilities of each method and their potential applications.