Modeling of Multiphase Transport of Multicomponent Organic Contaminants and Heat in the Subsurface: Numerical Model Formulation

by A. E. Adenekan, Tadeusz W. Patzek
Year: 1993


Adenekan, A. E., and T. W. Patzek. "Modeling of Multiphase Transport of Multicomponent Organic Contaminants." Water Resources Research 29, no. 11 (1993): 3727-3740.


A numerical compositional simulator (Multiphase Multicomponent Nonisothermal Organics Trans­ port Simulator (M2NOTS)) has been developed for modeling transient, three-dimensional, noniso­ thermal, and multiphase transport of multicomponent organic contaminants in the subsurface. The governing equations include (1) advection of all three phases in response to pressure, capillary, and gravity forces; (2) interphase mass transfer that allows every component to partition into each phase present; (3) diffusion; and (4) transport of sensible and latent heat energy. Two other features distinguish M2 NOTS from other simulators reported in the groundwater literature: (1) the simulator allows for any number of chemical components and every component is allowed to partition into all fluid phases present, and (2) each phase is allowed to completely disappear from, or appear in, any region of the domain during a simulation. These features are required to model realistic field problems involving transport of mixtures of nonaqueous phase liquid contaminants, and to quantify performance of existing and emerging remediation methods such as vacuum extraction and steam injection.