Reaction system simulation (rmgpy.solver)

The rmgpy.solver module contains classes used to represent and simulate reaction systems.

Reaction systems

Class

Description

ReactionSystem

Base class for all reaction systems

SimpleReactor

A simple isothermal, isobaric, well-mixed batch reactor

LiquidReactor

A homogeneous, isothermal, isobaric liquid batch reactor

SurfaceReactor

A heterogeneous, isothermal, isochoric batch reactor

MBSampledReactor

SimpleReactor with sampling delay for simulating molecular beam experiments

Termination criteria

Class

Description

TerminationTime

Represent a time at which the simulation should be terminated

TerminationConversion

Represent a species conversion at which the simulation should be terminated

TerminationRateRatio

Represent a fraction of the maximum characteristic rate at which the simulation should be terminated