interface Comsol Phreeqc

About

iCP stands for interface Comsol-Phreeqc. It is an interface to couple Comsol and Phreeqc. The result of this interface is a tool for solving a wide range of multiphysics and chemical problems. It is written in Java and uses the IPhreeqc C++ dynamic library and the Comsol Java API. Furthermore, it takes advantage of the multicore computer architecture by balancing the computational load over different threads.

Capabilities

iCP is able to model as many physical phenomena as Comsol does, combined with the powerful chemical capabilities of Phreeqc. From a geoscientific point of view these capabilities can be resumed as:

• Hydrodynamics: Saturated, unsaturated, density driven, multiphase or free laminar flow, both in porous and fracture media
• Thermal: Energy conservation
• Mechanics: Geomechanics and poroeslasticity
• Chemistry: Aqueous speciation, acid-base, redox, cation exchange, surface complexation, mineral dissolution and precipitation, solid solutions …

Furthermore, couplings between chemical and physical processes can also be considered, such as chemically-induced porosity changes and their impact on permeability.

How to cite iCP:

Nardi, A., Idiart, A., Trinchero, P., de Vries, L. M., and J. Molinero. Interface COMSOL-PHREEQC (iCP), an efficient numerical framework for the solution of coupled multiphysics and geochemistry. Computers & Geosciences 69 (2014): 10-21.

Partners

These are the different partners support one or more iMaGe projects:

Comsol

Comsol Multiphysics is powerful Finite Element software for the modelling and simulation of all kind of PDE-ADE physic systems in a coupled way. It has a very intuitive and robust graphical user interface (GUI), with flexible configuration options for creating geometry, mesh generation, material properties, solver options and post-processing and visualization of the results.

Phreeqc

Phreeqc is a freely available computer program for simulating chemical reactions and transport processes in natural or polluted water. It is perhaps the most widely used geochemical code in the scientific community and is distributed free of charge. It has been developed by David L. Parkhurst and C.A.J. Appelo. The program is based on equilibrium chemistry of aqueous solutions interacting with minerals, gases, solid solutions, exchangers, and sorption surfaces, but also includes the capability to model kinetic reactions with rate equations that are completely user-specified in the form of Basic statements. An extensible chemical data base allows application of the reaction, transport, and inverse-modelling capabilities to almost any chemical reaction that is recognized to influence rain-, soil-, ground and surface water quality.

Screenshots

Screenshots:

Licensing

A complete wiki is under construction. It will contain complete documentation, Q&A and will be the site where technical support will be centralized .

If you are interested in iCP please fill out the licence request form to get your license.

If you are interested in the iCP technology please contact icp@image-modelling.net

 

Partners