tapsap.diffusion package
Submodules
tapsap.diffusion.calculate_residence_time module
- tapsap.diffusion.calculate_residence_time.calculate_residence_time(zone_lengths: dict, zone_porosity: dict, zone_diffusion: dict) dict
Calculate the residence time within the each zone in the reactor. Please note that some manuscripts either invert the residence time or scale by a factor of one half. This residence time calculation is done via Constales et al. See other citations to note the difference in implementation.
- Args:
zone_lengths (dict): The zone lengths for the reactor, e.g., {0.002, 0.000001, 0.002}
zone_diffusion (dict): The diffusion coefficient for each zone
zone_porosity (dict): The bed porosity within each zone
- Returns:
zone_residence_time (dict): The residence time within each zone
- Citation:
Constales et al, “Precises non-steady-state characterization of solid active materials with no prelimnary mechanistic assumptions”
Gleaves et al, “TAP-2: An interrogative kinetics approach”
Yablonsky et al, “The Y-procedure: How to extract the chemical transformation rate from reaction–diffusion data with no assumption on the kinetic model”
- Implementor:
Ross Kunz
- Link:
https://doi.org/10.1016/j.cattod.2017.04.036
tapsap.diffusion.grahams_law module
- tapsap.diffusion.grahams_law.grahams_law(flux: list, times: ndarray, current_mass: float, new_mass: float) ndarray
This function uses linear interpolation to shift the flux to appear to be another mass. This uses the property of Graham’s law of diffusion where the rate of diffusion is proportional to the square root ratio of masses.
- Args:
flux (float ndarray): The outlet flux.
times (float ndarray): An array of time.
current_mass (float): The current mass of the given flux.
new_mass (float): The mass in which you are transforming the flux to have the same diffusion.
- Returns:
flux (array): The outlet flux after application of Graham’s law.
- Citation:
None
- See also:
tapsap.utils.trapz
- Implementor:
Ross Kunz
- Link:
tapsap.diffusion.opt_sdc module
- tapsap.diffusion.opt_sdc.opt_sdc(residence_time: float, flux: ndarray, times: ndarray) list
Optimization of the residence time for the standard diffusion curve.
- Args:
residence_time (float): The initial estimates of the residence time, see calculate_residence_time.
flux (float ndarray): The outlet flux.
times (float ndarray): An array of time
- Returns:
optimized_sdc, residence_time (list): The standard diffusion curve of the flux and the optimized residence time.
- Citation:
Gleaves et al, “TAP-2: An interrogative kinetics approach”
- Implementor:
Ross Kunz
- Link:
tapsap.diffusion.standard_diffusion_curve module
- tapsap.diffusion.standard_diffusion_curve.standard_diffusion_curve(residence_time: float, times: ndarray) ndarray
The standard diffusion curve representing the transport within the TAP reactor.
- Args:
residence_time (dict): The residence time, see calculate_residence_time
times (float ndarray): An array of time
- Returns:
flux (array): The outlet flux of the standard diffusion curve
- Citation:
Gleaves et al, “TAP-2: An interrogative kinetics approach”
- Implementor:
Ross Kunz
- Link: