def tplot(Qads, Prel, thick_fcn,
dcf, sacf, sa):
"""Run the t-Plot Calculation
Arguments:
Qads: Quauntity of gas adsorbed (cm^3/g STP) (numpy array)
Prel: Relative Pressure (numpy array)
thick_fcn: The thickness function to use (thichness in A).
dcf: densift conversion factor (unitless)
sacf: surface area correction factor (unitless)
sa: surface area (m^2/g)
Returns a namedtouple with the following fields:
t: Thichness for the reltive pressures (A)
ext_sq: The t-Plot external surface area (m^2/g)
ma: The t-Plot micropore surface area (m^2/g)
mv: The t-Plot micropore volume (cm^3/g)
"""
t = thick_fcn(Prel)
lf = util.linefit(t, Qads)
ext_sa = (lf.slope * dcf) / sacf * 10000
ma = sa - ext_sa
mv = lf.y_intercept * dcf
return util.make_touple(
"tPlotResults",
t = t,
ext_sa = ext_sa,
mv = mv,
ma = ma,
line_fit=lf,
)
def tplot(Prel, Qads, thick_fcn, tmin, tmax, dcf, sacf, sa):
"""Run the t-Plot Calculation
Arguments:
Qads: Quantity of gas adsorbed (cm^3/g STP) (numpy array)
Prel: Relative Pressure (numpy array)
thick_fcn: The thickness function to use (thichness in A).
tmin: minimum thickness to use in the line fit (Angstroms)
tmax: maximum thickness to use in the line fit (Angstroms)
dcf: density conversion factor (unitless)
sacf: surface area correction factor (unitless)
sa: surface area (m^2/g)
Returns a namedtouple with the following fields:
Qads: Quantity of gas adsorbed
t: Thickness for the relative pressures (A)
ext_sa: The t-Plot external surface area (m^2/g)
ma: The t-Plot micropore surface area (m^2/g)
mv: The t-Plot micropore volume (cm^3/g)
"""
t_all = thick_fcn(Prel)
t_fit = []
Qads_fit = []
for t, q in zip(t_all, Qads):
if t >= tmin and t <= tmax:
t_fit.append(t)
Qads_fit.append(q)
t_fit = np.array(t_fit)
Qads_fit = np.array(Qads_fit)
lf = util.linefit(t_fit, Qads_fit)
ext_sa = (lf.slope * dcf) / sacf * 10000
ma = sa - ext_sa
mv = lf.y_intercept * dcf
return util.make_touple(
"tPlotResults",
t_fit=t_fit,
Qads_fit=Qads_fit,
t_all=t_all,
Qads_all=Qads,
tmin=tmin,
tmax=tmax,
thick_fcn=thick_fcn,
ext_sa=ext_sa,
tot_sa=sa,
mv=mv,
ma=ma,
line_fit=lf,
)
