scholarly journals Modeling Biodegradation and Reactive Transport: Analytical and Numerical Models

Author(s):  
Yunwei Sun ◽  
Lee Glascoe
2020 ◽  
Vol 12 (8) ◽  
pp. 3498
Author(s):  
Chunbo Yuan ◽  
Ting Huang ◽  
Xiaohong Zhao ◽  
Yaqian Zhao

Numerical model as a simulation tool was used to describe the pollutants transformation and degradation process in constructed wetlands (CWs). It can help provide insight into the “black box” and increase the understanding of the complex processes in CWs. In the last few decades, several process-based numerical models were developed to depict the pollutants removal processes in CWs, which include biochemical model, hydraulic model, reactive-transport model, plants model, clogging model, and coupling model combining two or more sub-models. However, there was a long way to go before fully understanding the decontamination mechanisms of CWs. On the one hand, single or a composite model coupling a small number of sub-models cannot fully reveal the decontamination processes. On the other hand, a comprehensive model including all sub-models of current cognition involves numerous parameters, most of which are interaction and cannot quantitatively determined, thus making the model complex and leading to diffuse interaction. Therefore, in order to describe the reaction processes in CWs more accurately, it is expected that all parameters should be quantified as far as possible in the future model. This study aims to provide a review of the numerical models of CWs and to reveal mechanism of decontamination. Based on the advantages and disadvantages of existing models, the study presented the improvement method and future research direction: (1) new detection/monitoring technique or computing method to quantitatively assess the parameters in CWs models, (2) correcting the simulation errors caused by the assumption of Activated Sludge Models (ASMs) and developing a complete biofilm reaction sub-model, (3) simplification of the comprehensive model, and (4) need of emerging pollutants modeling.


2020 ◽  
Vol 195 ◽  
pp. 02003
Author(s):  
Ángel Yustres ◽  
Rubén López-Vizcaíno ◽  
Virginia Cabrera ◽  
Vicente Navarro

Electrokinetic soil remediation (EKR) is one of the most promising techniques for decontamination of low permeability soils, in which the most classical techniques have been found to be less efficient. However, its practical application on a real scale has been rather limited since the phenomena involved in these processes are very complex. For this reason, it is essential to use numerical models that allow us to know the main trends in the behaviour of soils and natural waters subjected to EKR processes. This study presents the numerical model M4EKR (Multiphysics for ElectroKinetic Remediation). The M4EKR module is a reactive transport model for partially saturated soils that allows reproducing the transport of species due to electroosmosis, electromigration, diffusion and advective flow. The model was completely implemented in COMSOL Multiphysics, a partial differential equation solver. The system of differential and algebraic equations to solve the chemical and transport problem was fully defined by the authors, and they were solved by the M4EKR module in COMSOL (monolithic approach). The scope of the model is illustrated by simulating an EKR process of a natural soil and porewater contaminated with a polar pesticide: 2,4-Dichlorophenoxyacetic acid. For simplicity, the M4EKR version used in this study does not include gas transport, it does not consider the deformability of the soil and it is assumed the processes occur under isothermal conditions.


2020 ◽  
Vol 195 ◽  
pp. 04002
Author(s):  
Ángel Yustres ◽  
Rubén López-Vizcaíno ◽  
Virginia Cabrera ◽  
Vicente Navarro

The proposed use of active clays for the isolation of radioactive wastes in deep geological repositories has been followed by a deeper understanding of this type of soils. This increased knowledge has led to the need for both conceptual and numerical models capable of capturing the main trends in behaviour and the different couplings between different physical-chemical phenomena. In addition, the model must have a high degree of flexibility that enables it to accommodate future developments or new relevant phenomena. This work presents a numerical THMC code developed entirely on the COMSOL Multiphysics numerical implementation platform, which provides the required adaptability. This model includes, for the first time in this environment, a reactive transport model in unsaturated porous media for a relevant geochemical system (consistent with the MX-80 bentonite) together with a THM model based on a double porosity approach. The chemical potentials of water and solutes are used for the definition of thermodynamic equilibria between both porosity levels. Trends in the behaviour of a bentonite sample under oedometric conditions are satisfactorily simulated in response to a process of saturation and change in salinity conditions. Variations in swelling pressure, porosity distribution or dissolution/precipitation of the main accessory minerals are analysed and explained by means of the proposed conceptual model.


Minerals ◽  
2021 ◽  
Vol 11 (8) ◽  
pp. 810
Author(s):  
Monica Piochi ◽  
Barbara Cantucci ◽  
Giordano Montegrossi ◽  
Gilda Currenti

The Campi Flegrei geothermal system sets in one of the most famous and hazardous volcanic caldera in the world. The geothermal dynamics is suspected to have a crucial role in the monitored unrest phases and in the eruption triggering as well. Numerical models in the literature do not properly consider the geochemical effects of fluid-rock interaction into the hydrothermal circulation and this gap limits the wholly understanding of the dynamics. This paper focuses on fluid-rock interaction effects at the Campi Flegrei and presents relevant information requested for reactive transport simulations. In particular, we provide: (1) an extensive review of available data and new petrographic analyses of the San Vito cores rearranged in a conceptual model useful to define representative geochemical and petrophysical parameters of rock formations suitable for numerical simulations and (2) the implemented thermodynamic and kinetic data set calibrated for the San Vito 1 well area, central in the geothermal reservoir. A preliminary 0D-geochemical model, performed with a different contribution of CO2 at high (165 °C) and low (85 °C) temperatures, firstly allows reproducing the hydrothermal reactions over time of the Campanian Ignimbrite formation, the most important deposits in the case study area.


Author(s):  
Javier Rodrigo-Ilarri ◽  
María-Elena Rodrigo-Clavero ◽  
Eduardo Cassiraga ◽  
Leticia Ballesteros-Almonacid

Terbuthylazine is commonly used as an herbicide to control weeds and prevent non-desirable grow of algae, fungi and bacteria in many agricultural applications. Despite its highly negative effects on human health, environmental modeling of this kind of pesticide in the vadose zone till reaching groundwater is still not being done on a regular basis. This work shows results obtained by two mathematical models (PESTAN and PRZM-GW) to explain terbuthylazine behavior in the non-saturated zone of a vertical soil column. One of the models use a one-dimensional analytical formulation to simulate the movement of terbuthylazine through the non-saturated soil to the phreatic surface. The second and more complex model uses a whole set of parameters to solve a modified version of the mass transport equation considering the combined effect of advection, dispersion and reactive transport processes. Both models have been applied as a case-study on a particular location in South Valencia Aquifer (Spain). A whole set of simulation scenarios have been designed to perform a parameter sensitivity analysis. Despite both models leading to terbuthylazine’s concentration values, numerical simulations show that PRZM-GW is able to reproduce concentration observations leading to much more accurately results than those obtained using PESTAN.


2009 ◽  
Vol 59 (8) ◽  
pp. 1577-1584 ◽  
Author(s):  
Jegathambal Palanichamy ◽  
Holger Schüttrumpf ◽  
Jürgen Köngeter ◽  
Torsten Becker ◽  
Sundarambal Palani

The migration of the species of chromium and ammonium in groundwater and their effective remediation depend on the various hydro-geological characteristics of the system. The computational modeling of the reactive transport problems is one of the most preferred tools for field engineers in groundwater studies to make decision in pollution abatement. The analytical models are less modular in nature with low computational demand where the modification is difficult during the formulation of different reactive systems. Numerical models provide more detailed information with high computational demand. Coupling of linear partial differential Equations (PDE) for the transport step with a non-linear system of ordinary differential equations (ODE) for the reactive step is the usual mode of solving a kinetically controlled reactive transport equation. This assumption is not appropriate for a system with low concentration of species such as chromium. Such reaction systems can be simulated using a stochastic algorithm. In this paper, a finite difference scheme coupled with a stochastic algorithm for the simulation of the transport of ammonium and chromium in subsurface media has been detailed.


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