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LBM3RT (Lattice Boltzmann Methods for Multiphase Multicomponent Reactive Transport) is a suite of computer codes for physics-based simulation of coupled multiphase flow, transport of heat and mass, as well as (electro)chemical reactions in porous media at the individual pore/grain scale with evolving pore structure. Currently LBM3RT has the following functionalities.

Single Phase Flow, Transport of Heat and Mass

• Original lattice Boltzmann model or Guo's incompressible model.
• Single relaxation time (SRT) or Multiple relaxation time (MRT) for flow simulation.
• Double-distribution function method for heat and mass transfer.
• Knudsen diffusion for microgas flow.
• Calculation of effective diffusivity, thermal conductivity, intrinsic permeability, Knudsen diffusivity, and apparent permeability of porous media.

Multiphase Flow

• Improved Shan-Chen single component multiphase (SCMP) model.
• Improved Shan-Chen muticomponent multiphase (MCMP) model.
• Calculation of relative permeability.

Multicomponent Reactive Transport in a Single Phase Fluid

• Advection and diffusion.
• Homogeneous reactions among multiple species in a solution.
• Heterogeneous reactions between dissolved species and solids.
• Ion exchange and surface complexation.
• Changes in solid and pore geometry due to dissolution and precipitation are tracked.
• Multiple options to update pore geometry due to precipitation.
• Various input parameters are read from an extensive database (EQ3/6) covering a wide range of geochemical systems with great flexibility and expandability.

Coupled Multiphase Flow and Multicomponent Reactive Transport

• Water-vapor two phase flow with phase change and dissolution/precipitation based on the Shan-Chen SCMP model.
• Two-phase multi-mixture model based on the Shan-Chen MCMP model.

Darcy-Scale Lattice Boltzmann Method

• A resistance term is introduced in the LBE, which recovers pore-scale governing equaiton or Darcy equation depending on the resistance.
• Ideal for flow simulation in multiscale porous media.
• Knudsen diffusion is also considered for microgas flow.

Other Lattice Boltzmann Models

• Boiling in porous media.
• Drying in porous media.
• Electrokinetic flow (e.g. electroosmosis).

Copyright 2017 Software titled "LBM3RT" has been assigned LA-CC-17-022, C17027. The software is unclassified and does not contain Unclassified Controlled Nuclear Information (UCNI). This software is subject to export control under Department of Commerce Export Administration Regulations (EAR) under the Export Control Classification Number (ECCN) of 0D999. Any export of the software must be coordinated with Export Control (SAFE-IP).

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