Calculating molarity, weight concentration from absorbance value for plasmonic nanoparticles in solution

It is common to measure the peak absorbance of the plasmonic nanoparticles in solution and then get the following:

  1.  Molarity (moles/liter)
  2. Number of particles per ml
  3.  Weight concentration (ug/ml)

I wrote a small python function to extract these parameters.  The following inputs are needed for the function

  1. d_nm :   diameter of the particle in nanoparticle
  2. od :  peak OD measured from the absorbance plot
  3. path_length_cm :  cuvette length in centimeter
  4. density_g_per_cm3 :  for gold it is 19.28, for silver it is 10.49
  5. molar_Extinction_perM_percm :  Molar extinction coefficient extracted from here.
  6. This can extracted from measuring absorbance at different concentrations and then fitting a linear line. the slope will be molar extinction coefficient

Here is the code.

'''
The code below shows how to convert measured absobance to Molarity (moles of particle/1L of solvent), NPS_per_ml, weight concentration
'''


import math
def calculate_molarity_weight_percentage_from_absorbance(d_nm=17, peak_od=0.93, path_length_cm=1,
density_g_per_cm3=19.28,
molar_Extinction_perM_percm=3.68E8):
'''
d_nm # diameter of the particle
od # peak OD measured from the absorbance plot
path_length_cm # cuvette length
density_g_per_cm3 # for gold it is 19.28, for silver it is 10.49
molar_Extinction_perM_percm # Molar extinction coefficient extracted from
https://www.sigmaaldrich.com/technical-documents/articles/materials-science/nanomaterials/gold-nanoparticles.html
This can extracted from measuring absorbance at different concentrations and then fitting a linear line. the slope will be molar extinction coefficient
'''

print('\nInput parameters :\n')

print('Diameter of particle: {} nm'.format(d_nm))
print('Density of metal: {} g/cm^2'.format(density_g_per_cm3))
print('Measured peak_OD: {}'.format(peak_od))
print('Cuvvette path length: {} cm'.format(path_length_cm))
print('Assumed Molar Extinction : {:.2E} (M-1Cm-1)'.format(molar_Extinction_perM_percm))

print('\nOutput parameters :\n')

C_M = peak_od / (path_length_cm * molar_Extinction_perM_percm) # Beer-Lambert Law
print('Concentration of Nanoparticles (M, moles of particles/1L of solvent) : {:.3E}'.format(C_M))

# convert molarity to NPS/ml ( Nanoparticles per ml), here Molarity refers to N Nps per 1000 ml
NPS_per_ml = C_M * 6.0221409e+23 / 1000
print('Nanoparticles per ml : {:.3E}'.format(NPS_per_ml))

# Calculate weight of each Particle
np_weight_g = math.pi * ((d_nm / 2.0) * 1E-7) ** 3 * density_g_per_cm3
print('Weight of each particle (g) : {:.3E}'.format(np_weight_g))

# Convert Molarity (moles of particles/1L of solvent) to weight_concentration_ug_ml
weight_concentration_ug_per_ml = NPS_per_ml * (4.0 / 3) * np_weight_g * 1E6
print('Weight_concentration (ug/ml) : {:.3f}'.format(weight_concentration_ug_per_ml))
print(calculate_molarity_weight_percentage_from_absorbance(d_nm=17, peak_od=0.93, path_length_cm=1,
density_g_per_cm3=19.28,
molar_Extinction_perM_percm=3.68E8))

 

This code when will result in

Input parameters :

Diameter of particle: 17 nm
Density of metal: 19.28 g/cm^2
Measured peak_OD: 0.93
Cuvvette path length: 1 cm
Assumed Molar Extinction : 3.68E+08 (M-1Cm-1)

Output parameters :

Concentration of Nanoparticles (M, moles of particles/1L of solvent) : 2.527E-09
Nanoparticles per ml : 1.522E+12
Weight of each particle (g) : 3.720E-17
Weight_concentration (ug/ml) : 75.481

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