andychase / STLC

A simulation testbed package for liquid chromatography

Simulation Testbed for Liquid Chromatography

The Simulation Testbed for Liquid Chromatography (STLC) package implements variations of the general rate model. The aim is to provide a basis for the development of an easy to use package for chromatography modeling in python.

Ongoing development

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This is research software that is still under development.

Install

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You can install by cloning repo and run:

	> pip install setuptools
	> python setup.py sdist
	> pip install -e ./

from project the root.

Usage

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	from stlc import lkm
	zl = 1.0
	epsilon = 0.4
	u = 0.29
	tmax = 20
	a = 0.85
	D = 1e-6
	k = 111.0
	c_0 = 1.0
	b = 1.0

	parameters0 = lkm.ModelParameters(u=u, ep=epsilon, D=D, c0=c_0, k=k, a=a, b=b, ip = lambda t: t<1.)

	n = 10
	ne = 10
	dt = 0.01
	timesteps = int(tmax / dt)
	model = lkm.LumpedKineticModel(n, ne, zl, [parameters0])
	y = lkm.solve(model, tmax, dt)

License

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Released under GPL v3. License (see LICENSE.txt):

Copyright (C) 2022 Sartorius