scholarly journals Algorithms for activity correction models for geochemical speciation and reactive transport modelling

AIChE Journal ◽  
2021 ◽  
Author(s):  
Jérôme Carrayrou ◽  
Caroline Bertagnolli ◽  
Marwan Fahs
Keyword(s):  
Reactive Transport ◽  
Reactive Transport Modelling ◽  
Transport Modelling ◽  
Geochemical Speciation

scholarly journals Algorithms for activity correction models for geochemical speciation and reactive transport modelling

2021 ◽  
Author(s):  
Jerome Carrayrou ◽  
Caroline Bertagnolli ◽  
Marwan Fahs
Keyword(s):  
Fixed Point ◽  
Heat Transport ◽  
Reactive Transport ◽  
Environmental Research ◽  
Reactive Transport Modelling ◽  
Transport Modelling ◽  
Fixed Point Algorithm ◽  
Specific Subset ◽  
Flow Transport ◽  
Geochemical Speciation

Reactive transport codes are today one of the cornerstones of environmental research. They now contain multiphysics with very complex algorithms, including flow, transport, chemical and sometimes heat transport, mechanical and/or biological algorithms. Because of this complexity, some parts of these algorithms still have not been sufficiently studied. Here, we present a comparison of 3 algorithms for activity correction, a specific subset of equilibrium chemistry algorithms. We show that the most used algorithm (the inner fixed-point algorithm) or the most rigorous algorithm (the full Newton) might not be the most efficient, and we propose the outer fixed-point algorithm, which is more robust and faster than other algorithms.

scholarly journals Reactive transport modelling of a high-pH infiltration test in concrete

2017 ◽  
Vol 99 ◽  
pp. 131-141 ◽  
Author(s):  
M. Carme Chaparro ◽  
Josep M. Soler ◽  
Maarten W. Saaltink ◽  
Urs K. Mäder
Keyword(s):  
Reactive Transport ◽  
Reactive Transport Modelling ◽  
Transport Modelling ◽  
High Ph ◽  
Infiltration Test
Sign in / Sign up

Export Citation Format

Share Document