APPLIED COMPUTER METHODS

ENEL2CM

ASSIGNMENT 2

OWETHU DLUDLA

221006252

28 MARCH 2025
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QUESTION 1

a) import numpy as np
# Store the yields in a NumPy array

yields = np.array([50, 55, 49, 48, 52])

print("Yields recorded in mg:", yields)

b) import numpy as np
# Calculate and print the mean, standard deviation, and variance

yields = np.array ([50, 55, 49, 48, 52])

print("Yields recorded in mg:", yields)

mean_yield = np.mean(yields)

std_dev = np.std(yields)

variance = np.var(yields)

print(f"Mean yield: {mean_yield:.2f} mg")

print(f"Standard deviation: {std_dev:.2f} mg")

print(f"Variance: {variance:.2f} mg²")

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 c) import numpy as np
# Scale the yields up by a factor of 1.1

yields = np.array ([50, 55, 49, 48, 52])

scaled_yields = yields * 1.1

print("Scaled yields:", scaled_yields)

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 d) import numpy as np

yields = np.array ([50, 55, 49, 48, 52])

mean_yield = 50.80

above_mean = yields[yields > mean_yield]

print("Trials yielding above mean:", above_mean)

QUESTION 2

a) from sympy import symbols, diff, integrate, cos

x = symbols('x')

f = (x**2 + 1) * cos(x)

differential_f = diff(f, x)

print("Differential of f(x):", differential_f)

integration_f = integrate(f, x)

print("Integration of f(x):", integration_f)

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 b) from sympy import symbols, diff, cos

x = symbols('x')

f = (x**2 + 1) * cos(x)

# Compute the differential of f(x)

differential = diff(f, x)

# Ask the user for the value of x

x_value = float(input("Enter the value of x: "))

# Evaluate the differential equation at the user-specified value of x

result = differential.subs(x, x_value)

# Print the result in a readable format

print(f"The differential equation f(x) at x = {x_value} is {result}")

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 c) from sympy import symbols, integrate, cos

x = symbols('x')

f = (x**2 + 1) * cos(x)

# Compute the integration of f(x) from x=0 to x=2

integration_result = integrate(f, (x, 0, 2))

# Print the result in a readable format

print(f"The integration of f(x) from x=0 to x=2 is: {integration_result}")

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 d) from sympy import symbols, diff, integrate, cos

import matplotlib.pyplot as plt

import numpy as np

x = symbols('x')

f = (x**2 + 1) * cos(x)

df_dx = diff(f, x)

int_f = integrate(f, x)

x_vals = np.linspace(0, 2, 100)

f_lambda = lambda x_val: (x_val**2 + 1) * np.cos(x_val)

f_vals = [f_lambda(x_val) for x_val in x_vals]

plt.figure(figsize=(10, 6))

plt.plot(x_vals, f_vals, label='f(x) = (x^2 + 1) * cos(x)', color='b')

plt.xlabel('x')

plt.ylabel('f(x)')

plt.title('Plot of f(x) = (x^2 + 1) * cos(x)')

plt.legend()

plt.grid(True)

plt.show()

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QUESTION 3

a) # List of chemical substances and their quantities

inventory = [

("Water", 100),

("Sodium chloride", 50),

("Acetone", 75),

("Sulfuric acid", 20),

("Ethanol", 60)

# Open the file in write mode (this will create the file if it doesn't exist)

with open("inventory.txt", "w") as file:

# Iterate through the inventory list and write each substance and quantity

for substance, quantity in inventory:

file.write(f"{substance}, {quantity}\n")

print("inventory.txt has been created and populated with substances.")

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 b) # Open the file in read mode

with open("inventory.txt", "r") as file:

# Read the contents of the file

contents = file.read()

# Print the contents

print(contents)

c) # New substance to add to the inventory

new_substance = "Sodium Chloride, 500g"

# Open the file in append mode to add to the end of the file

with open("inventory.txt", "a") as file:

# Write the new substance to the file

file.write(new_substance + "\n")

print(f"{new_substance} has been added to inventory.txt.")

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 d) # Define the name of the inventory file

inventory_file = "inventory.txt"

new_substance = "Sodium Chloride, 500g"

# Define the name of the inventory file

inventory_file = "inventory.txt"

new_substance = "Sodium Chloride, 500g"

try:

# Attempt to open the inventory file in append mode

with open(inventory_file, 'a') as file:

# Write the new substance to the file

file.write(new_substance + "\n")

print(f"{new_substance} has been added to the inventory.")

# Reopen the file in read mode to print its contents

with open(inventory_file, 'r') as file:

lines = file.readlines()

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 print("\nContents of the inventory file:")

for line in lines:

print(line.strip())

except FileNotFoundError:

# Handle the case where the file does not exist

print(f"Error: File '{inventory_file}' not found.")

except Exception as e:

# Handle any other exceptions

print(f"An error occurred: {e}")

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QUESTION 4

a) import pandas as pd

#Create the dataset with columns 'Reaction', 'Reactant_A_Moles',

data = {

'Reaction': ['Reaction_1', 'Reaction_2', 'Reaction_3', 'Reaction_4', 'Reaction_5',

'Reaction_6', 'Reaction_7', 'Reaction_8', 'Reaction_9', 'Reaction_10'],

'Reactant_A_Moles': [1.5, 2.3, 0.9, 1.2, 2.0,

3.0, 1.8, 2.5, 1.0, 2.8],

'Reactant_B_Moles': [0.8, 1.5, 1.2, 1.0, 1.6,

2.2, 1.4, 1.9, 0.7, 1.3],

'Product_Yield_Percentage': [75, 85, 90, 80, 95,

88, 92, 87, 78, 82]

#Create the dataframe

df = pd.DataFrame(data)

#Save the dataframe to a CSV file

df.to_csv('reactions.csv', index=False)

#Load the CSV file using Pandas

df_loaded = pd.read_csv('reactions.csv')

#Display the loaded dataframe

print(df_loaded)

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 b) import pandas as pd

#Load the CSV file using Pandas (from previous question)

df_loaded = pd.read_csv('reactions.csv')

#Calculate the average yield percentage

average_yield = df_loaded['Product_Yield_Percentage'].mean()

#Print the average yield percentage

print(f"The average yield percentage for all reactions is: {average_yield:.2f}%")

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 c) import pandas as pd

#Load the CSV file using Pandas (from previous question)

df_loaded = pd.read_csv('reactions.csv')

#Calculate and print descriptive statistics for the "Product_Yield_Percentage"

yield_statistics = df_loaded['Product_Yield_Percentage'].describe()

#Print the descriptive statistics

print("Descriptive statistics for the yield percentage:")

print(yield_statistics)

d) import pandas as pd

#Load the CSV file using Pandas (assuming the CSV file already exists)

df_loaded = pd.read_csv('reactions.csv')

#Filter the dataset to include only reactions with high efficiency (e.g., yield
percentage >= 90)

high_efficiency_df = df_loaded[df_loaded['Product_Yield_Percentage'] >= 90]

#Save the filtered data to a new CSV file

high_efficiency_df.to_csv('high_efficiency_reactions.csv', index=False)
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 #Print the filtered dataset (optional)

print("Filtered dataset with high efficiency reactions:")

print(high_efficiency_df)

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