Quickstart Guide

Get started with PorousMediaLab in 5 minutes.

Installation

pip install porousmedialab

Batch Reactor Example

A simple batch reactor with two species reacting:

from porousmedialab.batch import Batch

# Create batch: 10 days simulation, 0.1 day timestep
batch = Batch(tend=10, dt=0.1)

# Add species with initial concentrations
batch.add_species(name='A', init_conc=1.0)  # 1.0 mol/L
batch.add_species(name='B', init_conc=0.0)

# Define reaction rate constant
batch.constants['k'] = 0.5  # 1/day

# Define rate expression
batch.rates['R1'] = 'k * A'

# Define how concentrations change
batch.dcdt['A'] = '-R1'      # A is consumed
batch.dcdt['B'] = 'R1'       # B is produced

# Run simulation
batch.solve()

# Access results
print(batch.A.concentration[0, -1])  # Final concentration of A
print(batch.B.concentration[0, -1])  # Final concentration of B

# Plot results
batch.plot_profiles()

Column Transport Example

A 1D column with diffusion and advection:

from porousmedialab.column import Column

# Create column: 10 cm long, 0.1 cm mesh, 1 day simulation
column = Column(length=10, dx=0.1, tend=1, dt=0.001, w=0.5)

# Add dissolved species
column.add_species(
    theta=0.9,              # Porosity
    name='C',               # Species name
    D=100,                  # Diffusion coefficient (cm²/day)
    init_conc=0,            # Initial concentration
    bc_top_value=1.0,       # Top boundary value
    bc_top_type='dirichlet',# Constant concentration at top
    bc_bot_value=0,         # Bottom boundary value
    bc_bot_type='flux'      # Zero flux at bottom
)

# Run simulation
column.solve()

# Plot concentration profiles
column.plot_profiles()

# Plot contour (depth vs time)
column.contour_plot('C')

Next Steps

Key Concepts

Concept Description
species Chemical compounds being tracked
constants Parameters used in rate expressions
rates Mathematical expressions for reaction rates
dcdt Time derivative expression for each species
profiles Current concentration values at each grid point