Effective reaction at a fluid–solid interface: Applications to biotransformation in porous media
In this work we develop, via volume averaging, the macroscale transport equation for a reactive chemical species undergoing a heterogeneous reaction with Michaelis–Menton type kinetics. We describe the closure problem required to predict the effective macroscale reaction rate from the microscale geometry and the chemical, physical, and microbial properties. The effective rate of reaction predicted from the closure problem is compared with the reaction rate with that is obtained by direct numerical simulation at the microscale. This comparison shows that the macroscale description of the reaction process is generally valid when the coefficient of variation of the concentration field is small compared with unity. Our results are subsequently used to interpret laboratory data for the enzymatic transformation of p-nitrophenyl phosphate hexahydrate. In particular, we provide some interpretation of the observed effect of porewater velocity on the effective reaction rate.
- Research Organization:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 927980
- Report Number(s):
- PNNL-SA-54147; TRN: US200816%%932
- Journal Information:
- Advances in Water Resources, 30(6-7):1630-1647, Vol. 30, Issue 6-7
- Country of Publication:
- United States
- Language:
- English
Similar Records
Tracking interface and common curve dynamics for two-fluid flow in porous media
Explicit physics-informed neural networks for nonlinear closure: The case of transport in tissues