Scientific Background
Efflux solves mechanistic models of liquid chromatography by combining mass-balance PDEs for column transport with kinetic or equilibrium binding models. This section covers the mathematical foundations behind each component of the simulation.
Mechanistic Modeling
An overview of mechanistic chromatography modeling — what it is, why it matters, and how Efflux uses first-principles PDEs to predict separations.
Unit Operations
The building blocks of a chromatography simulation — sources, columns, reactors, and detectors — and how they connect.
Column Models
Mathematical models describing solute transport and separation in chromatography columns, from detailed mechanistic to simplified representations.
Binding Models
Adsorption isotherms and kinetic models governing how solutes interact with the stationary phase.
Simulation
DAE formulation, time integration, phase-based simulation, and how the solver assembles and advances the system.