Here in the continuum of my STEAM blog, I have attempted a try to write a polarimeteric analysis code. Recently India's Chandrayaan-3 went to the south pole of Moon and demonstrated soft landing capabilities of a humble space organization. This mission includes a very scientific analysis technique called polarimetry and it widely used in STEAM fields.
Whenever circular polarization effects are present in the sample, elliptical properties of the output light must be considered:
The following are the steps followed:
- Import the necessary libraries, numpy and matplotlib.pyplot.
- Define the wavelength of light used (in nm).
- Define the length of the sample cell (in cm).
- Read the optical rotation data from the polarimeter.
- Calculate the specific rotation (degrees per cm per g/mL).
- Calculate the optical rotation angle (degrees).
- Calculate the chirality (sign of specific rotation).
- Create a placeholder for the molecule structure.
- Create a placeholder for the impurities detection.
- Create a placeholder for the properties calculation.
- Plot the specific rotation vs. concentration.
- Plot the optical rotation angle vs. concentration.
- Plot the chirality vs. concentration.
- Plot the molecule structure vs. concentration.
- Plot the impurities vs. concentration.
- Plot the properties vs. concentration.
Sample Code:
import numpy as np
import matplotlib.pyplot as plt
##Define the wavelength of light used (in nm)
wavelength = 589.33
##Define the length of the sample cell (in cm)
length = 10.0
##Read the optical rotation data from the polarimeter
rotation_data = np.loadtxt("rotation_data.txt")
##Calculate the specific rotation (degrees per cm per g/mL)
specific_rotation = rotation_data / (length * 1.0) ##Concentration is assumed to be 1.0 g/mL
##Calculate the optical rotation angle (degrees)
optical_rotation_angle = specific_rotation * wavelength
##Calculate the chirality (sign of specific rotation)
chirality = np.sign(specific_rotation)
##Concentration data (for illustration purposes)
concentration = np.linspace(0.1, 1.0, len(rotation_data)) ##Example concentration values
##Placeholder for molecule structure (replace with appropriate data)
structure = np.random.rand(len(rotation_data)) ##Replace with actual structure data
##Placeholder for impurities detection (replace with appropriate data)
impurities = np.random.rand(len(rotation_data)) ##Replace with actual impurities data
##Placeholder for properties calculation (replace with appropriate data)
properties = np.random.rand(len(rotation_data)) ##Replace with actual properties data
##Plot the specific rotation vs. concentration
plt.figure(figsize=(8, 6))
plt.plot(concentration, specific_rotation)
plt.xlabel("Concentration (g/mL)")
plt.ylabel("Specific Rotation (degrees per cm per g/mL)")
plt.title("Specific Rotation vs. Concentration")
plt.grid(True)
plt.show()
##Plot the optical rotation angle vs. concentration
plt.figure(figsize=(8, 6))
plt.plot(concentration, optical_rotation_angle)
plt.xlabel("Concentration (g/mL)")
plt.ylabel("Optical Rotation Angle (degrees)")
plt.title("Optical Rotation Angle vs. Concentration")
plt.grid(True)
plt.show()
##Plot the chirality vs. concentration
plt.figure(figsize=(8, 6))
plt.plot(concentration, chirality)
plt.xlabel("Concentration (g/mL)")
plt.ylabel("Chirality")
plt.title("Chirality vs. Concentration")
plt.grid(True)
plt.show()
##Placeholder for structure vs. concentration (replace with appropriate visualization)
plt.figure(figsize=(8, 6))
plt.plot(concentration, structure)
plt.xlabel("Concentration (g/mL)")
plt.ylabel("Structure (Placeholder)")
plt.title("Structure vs. Concentration")
plt.grid(True)
plt.show()
##Placeholder for impurities vs. concentration (replace with appropriate visualization)
plt.figure(figsize=(8, 6))
plt.plot(concentration, impurities)
plt.xlabel("Concentration (g/mL)")
plt.ylabel("Impurities (Placeholder)")
plt.title("Impurities vs. Concentration")
plt.grid(True)
plt.show()
##Placeholder for properties vs. concentration (replace with appropriate visualization)
plt.figure(figsize=(8, 6))
plt.plot(concentration, properties)
plt.xlabel("Concentration (g/mL)")
plt.ylabel("Properties (Placeholder)")
plt.title("Properties vs. Concentration")
plt.grid(True)
plt.show()
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