The mathematical computation and process evaluation of anaerobic digestion (AD) treatment of organic refuse (OR) has become quite common in process designing. Furthermore, the modelling of AD process is considered as well established and mature, and largely known as a mechanistic model structure. There are various mathematical models being used to comprehend the biochemical variations, rate of decomposition, and the methane or biogas production potentials. Moreover, these mathematical analyses of the models determine the computation of equilibrium points, helping to understand their internal stability with respect to feeding parameters, and compatibility to the output static characteristics of the entire AD process. Whereas numerical simulations are also carried out for specific biodegradation on web-based software. These simulations are useful to demonstrate the dynamic responses of the mathematical models to present the most mathematical viable solutions. However, the major issues lie in the application of AD in lab-based modelling needs improvement in characterization and the adaptation of new approaches to optimize bioenergy recoveries. Hence, this review paper discusses the selection and utilization of mathematical models for different conditions in AD treatment of OR for the best mathematical representations.