rampedpyrox.EnergyComplex¶
-
class
rampedpyrox.
EnergyComplex
(E, p=None)[source]¶ Class for inputting and storing Ramped PryOx activation energy distributions.
Parameters: - E (array-like) – Array of activation energy, in kJ/mol. Length nE.
- p (None or array-like) – Array of the regularized pdf of the E distribution, p(0,E). Length nE. Defaults to None.
Raises: ArrayError
– If the any value in E is negative.See also
Daem
rp.Model
subclass used to generate the Laplace transform for RPO data and translate between time- and E-space.RpoThermogram
rp.TimeData
subclass containing the time and fraction remaining data used for the inversion.
Examples
Generating a bare-bones energy complex containing only E and p:
#import modules import rampedpyrox as rp import numpy as np #generate arbitrary Gaussian data E = np.arange(50, 350) def Gaussian(x, mu, sig): scalar = (1/np.sqrt(2*np.pi*sig**2))* y = scalar*np.exp(-(x-mu)**2/(2*sig**2)) return y p = Gaussian(E, 150, 10) #create the instance ec = rp.EnergyComplex(E, p = p)
Or, insteand run the inversion to generate an energy complex using an
rp.RpoThermogram
instance, tg, and anrp.Daem
instance, daem:#keeping defaults, not combining any peaks ec = rp.EnergyComplex( daem, tg, lam = 'auto')
Plotting the resulting regularized energy complex:
#import additional modules import matplotlib.pyplot as plt #create figure fig, ax = plt.subplots(1,1) #plot resulting E pdf, p(0,E) ax = ec.plot(ax = ax)
Attributes
- E : np.ndarray
- Array of activation energy, in kJ/mol. Length nE.
- nE : int
- Number of E points.
- ec_info : pd.Series
Series containing the observed EnergyComplex summary info:
E_max (kJ/mol),
E_mean (kJ/mol),
E_std (kJ/mol),
p0E_max
- lam : float
- Tikhonov regularization weighting factor.
- p : np.ndarray
- Array of the pdf of the E distribution, p0E. Length nE.
- resid : float
- The RMSE between the measured thermogram data and the estimated thermogram using the p (ghat). Used for determining the best-fit lambda value.
- rgh :
- The roughness RMSE. Used for determining best-fit lambda value.
References
- [1] B. Cramer (2004) Methane generation from coal during open system
- pyrolysis investigated by isotope specific, Gaussian distributed reaction kinetics. Organic Geochemistry, 35, 379-392.
- [2] D.C. Forney and D.H. Rothman (2012) Common structure in the
- heterogeneity of plant-matter decay. Journal of the Royal Society Interface, rsif.2012.0122.
- [3] D.C. Forney and D.H. Rothman (2012) Inverse method for calculating
- respiration rates from decay time series. Biogeosciences, 9, 3601-3612.
Methods
input_estimated
([lam, resid, rgh])Inputs estimated rate data into the rp.EnergyComplex
instance and calculates statistics.inverse_model
(model, timedata[, lam])Generates an energy complex by inverting an rp.TimeData
instance using a givenrp.Model
instance.plot
([ax])Plots the pdf of E, p(0,E), against E.