CheToolbox

Co-Written by Quan Phan & Ethan Molnar

About

CheToolbox (Chemical Engineering Toolbox) is a Python package designed to formalize calculations learned throughout university and professional experience in code. Functions are written to be clear, concise, easy to use, and save time compared to starting from scratch. This code is written in a semi-functional programming style, with a focus on internal consistency.

License

CheToolbox is distributed under GPL License version 3 (GPLv3)

Dependencies

The following dependencies will be necessary for CheToolbox to build properly,

• Python >= 2.7: http://www.python.org/ (also install development files)
• SciPy >= 0.11.0: http://www.scipy.org/
• NumPy >= 1.16.0: http://www.numpy.org/
• Pandas >= 2.2.1 https://pandas.pydata.org/

  Usage

  import numpy as np
  from chetoolbox import separations
  x = np.array([0.1, 0.2, 0.3, 0.4]) # mole fraction of incoming stream across all components
  K = np.array([4.2, 1.75, .74, .34]) # corresponding K values for all components
  psi_init = 0.5 # initial guess for psi
  separations.psi_solver(x, K, psi_init)

  Returns:

  psi: 0.12109169497141782
  x_out: [ 7.207e-02  1.833e-01  3.098e-01  4.347e-01]
  y_out: [ 3.027e-01  3.209e-01  2.292e-01  1.478e-01]
  error: 0.000675806754791175
  i: 2

  Advanced Usage

  
  import numpy as np
  from chetoolbox import common, separations
  xf = .7 # mole fraction of feed stream
  xd = .95 # mole fraction design param for distillate stream
  xb = .05 # mole fraction design param for bottoms stream
  q = .5 # approx. liquid fraction
  Rmin_mult = 1.3 # reflux ratio multiplier (compensate for inefficiencies)

eq_points = np.array([[0.02, 0.05], [0.03, 0.1], [0.1, 0.3], [0.2, 0.48], [0.3, 0.59], [0.4, 0.68], [0.5, 0.75], [0.59, 0.8], [0.8, 0.9], [0.91, 0.95] ]) eq_curve = separations.eq_curve_estim(eq_points) # estimate equilibrium curve for binary mixture

liqlineH = common.point_conn((0, 15), (.95, 5)) # enthalpy curve (assumed linear) for liquid mixtures vaplineH = common.point_conn((0, 55), (.95, 40)) # enthalpy curve (assumed linear) for vapor mixtures Fpoint = (xf, vaplineH.eval(xf) - 30.) # enthalpy of feed

separations.ponchon_savarit_full_est(eq_curve, liqlineH, vaplineH, Fpoint, q, xd, xb, Rmin_mult, PLOTTING_ENABLED = True)

Returns:
```py
     tieline: <common.LinearEq object at 0x00000239FE74B710>
        Rmin: 0.5039208963545665
           R: 0.6550971652609364
  min_stages: 5.447199278007249
ideal_stages: 10.779371485763459