electrokinetic 0.0.3

Features

• Basic classes for binary electrolytes.

• Basic classes for colloidal systems with particles.

• Basic functions for calculation of ion vibration potential (IVP).

Installation

To use the package electrokinetic, install it in a Python environment:

(env) pip install electrokinetic

or

(env) conda install electrokinetic

This should automatically install the dependency packages matplotlib , scipy and pandas, if they haven’t been installed already. If you are installing by hand, ensure that these packages are installed as well.

Example use

import numpy as np

from electrokinetic.constants import *
from electrokinetic.electrolytes import Electrolyte
from electrokinetic.particles import Particle
from electrokinetic.file_utils import load_config

import matplotlib
import matplotlib.pyplot as plt
from pathlib import Path

matplotlib.use("QtAgg")
DATADIR = Path(__file__).parent

el = Electrolyte.from_yaml(str(DATADIR / "cegm.yaml"))
el.calc_kappa()

param = load_config(str(DATADIR / "cegm.yaml"))
part = Particle.from_dict(param["particles"][0])

zeta_zero = BOLTZ_T / (el.z_plus * E_CHARGE)
print(f"zeta_zero: {1000 * zeta_zero} mV")
psi_zero = 0.5 * zeta_zero

electrokinetic pages

• PyPi: electrokinetic Python package

• BitBucket: electrokinetic source code

• ReadTheDocs: electrokinetic documentation

Author and license

• Author: Paul J.M. van Kan

• Contact: pjm@vankanscientific.nl

• License: GPLv3

References

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