Homework 8 | Python Fiddle

#Submitted By: Gourav Garg
#E-mail id: gouravga@buffalo.edu
#Person No.: 5016-4951

#The program calculates the mass of an element
#It calculates the average atomic weight of Hydrogen
#Calculates Mean, Standard Deviation of a sample with given masses
#Sorts a list
#Finds minimum and maximum number from a list
#Calculates No. of moles of a substance with given masses and constant molecular weight and plots moles vs mass graph

# Asking user for number of protons and neutrons
p = int(raw_input('Number of protons='))
n = int(raw_input('Number of neutrons='))

m = p+n

print ("Mass of an Atom = %s\n\n" %m)

#####################################################################################################

print "Calculating Average Atomic Weight"
print "\n There are two isotopes of hydrogen: Protium and Deuterium"

# we will calculate the atomic weight of Hydrogen
# we have considdered the two most abundant isotopes of Hydrogen i.e. Protium and Deuterium.

H1 = 0.9998  #Abundance of Protium isotope
H2 = 1-H1  #Abundance Deuterium isotope

#calculating the atomic weight of first isoptope
P_wt = 2.013*H1 #Atomic weight of Protium x abundance

#calculating the atomic weight of second isotope
D_wt = 3.016*0.0111 # Atomic weight of Deuterium x abundance

print ("Atomic Weight of Protium= %s\n" %P_wt)

print ("Atomic Weight of Deuterium= %s\n" %D_wt)

#calculating average atomic weight
H_wt = P_wt+D_wt

print ("Average Atomic Weiht of Hydrogen = %s \n" %H_wt)

#this average atomic weight calculation does not consider other isotopes as they are only available in traces

###################################################################################################
 
#Defining an element for example Hyrogen

dict = {'Name': 'Hydrogen', 'Atomic Weight': 2, 'Atomic Number': 1, 'Group': 1, 'Symbol': "H", 'State' : 'Gas', 'Appearance':'Colorless' };

print "Description of an element:\n"
print "Element Name: ", dict['Name'];
print "Symbol: ",dict['Symbol'];
print "Atomic weight: ", dict['Atomic Weight'];
print "Atomic Number: ", dict['Atomic Number'];
print "Group Category: ", dict['Group'];
print "State: ", dict['State'];
print "Appearance: ", dict['Appearance'];

####################################################################################################

#Types of Bonding in Atoms

bond_list1 = ['Ionic', 'Covalent', 'Metallic', 'Hydrogen Bond']
bond_list2 = ['Ionic', 'Covalent', 'Metallic', 'Secondary']

#bonds list
print "\nDifferent Types of chemical Bonds:" , bond_list1[0:4]

print "\nDecreasing Bond Strength :" , bond_list2[0:4]

print "\nExamples of bonding:\n"
Example_bond = ['Nacl', 'O2', 'Zn', 'HF']

for a1,a2 in zip(bond_list2, Example_bond):
    print a1+ ": " +a2

bond_state = ['Crystalline Solid', 'Solid/Liquid/gas', 'Malleable Solid']
print "\nDefining the State of bonds at standard temperature & Pressure\n"
for b1,b2 in zip(bond_list2[0:3],bond_state):
    print b1+ ": "+b2

####################################################################################################
#calculating the ionic character
   
#consiering the example of MgO and findind the ionic character for the same
#importing the ncessary packages to define the function
   
from math import exp

xA = 2.20
#electronegativity of Hydrogen

xB = 3.5
#electronegativity of O

def subtract(a1, b1):
    return (a1 - b1)
 
#calling the subtract function   
a1 = 1
b1 = exp(-0.25 *(xA - xB)**2)   #exp function is called from the math library
    
print "Ionic charatcer of water(H2O):\n"
print eval('subtract(a1, b1)') 
#this calculation can be used for any compound to find which bonding dominates

#####################################################################################################

print "\nFirst 10 elements of periodic table with their valencies\n"
Element_list = ( 'H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne')
Valency_list = ( 1, 2, 1, 2, 3, 4, 5, 6, 7, 8 )
for c1,c2 in zip(Element_list, Valency_list):
    print c1+ ": "+ str(c2)

a = float(input('Enter valency of element?\n'))
print str(a)

if a<0:
    print "Enter a positive number\n"
else:
    if a < 4:
        print "The Ion is Cation\n"
        print "The Element can be categorized as a Metal\n"
      
    else:
        print "The Ion is Anion\n"
        print "The Element can be categorized as a Non-Metal\n"

############################################################################################################

# Elements with minimum and maximum mass

mass_list = [120, 400, 200, 40, 550, 1000, 340, 99, 80]
#A user defined list of masses of few elements

def min_Mass(List): # function to find minima in the list

min_value = List[0]   
    
# iterating through the elements of the list using For loop to find the minimum element
    for i in List[1:]:

if i < min_value:
            min_value = i

return min_value

def max_Mass(List): #Function to find maxima in the list

max_value = List[0]

for j in List[1:]:

if j > max_value:
            max_value = j

return max_value

print "The minimum mass in the list is:", min_Mass(mass_list)
print "The maximum mass in the list is:", max_Mass(mass_list)

#################################################################################################
 
##checking the distribution of a sample of mass of elements

import numpy as np
import scipy.stats as st
import matplotlib.pyplot as pt

# sample of elements mass..

sample_mass_list = [1, 4, 8, 30, 45, 10, 3, 70, 82,
                    20, 4, 40, 45, 200, 150, 110, 120,
                    300, 12, 15, 30, 38, 168, 45, 55, 76]

## sorting the elements in the sample
# sorting will arrange the list in an order of incresing numbers
sample_mass_list.sort()

## calculating the mean of the distribution
sample_mean = np.mean(sample_mass_list)

## calculating the standard deviation of the distribution
sample_deviation = np.std(sample_mass_list)

## fitting the density curve using the mean and standard deviation calculated
density_curve = st.norm.pdf(sample_mass_list, sample_mean, sample_deviation)

pt.plot(sample_mass_list, density_curve, '-*')
# "-*" will show the density concentration

## plotting the histogram with the density curve fitted.
pt.hist(sample_mass_list, normed = True)

print "\nHistogram displaying the Mass of Elements"

pt.xlabel("Mass of the Elements")
pt.ylabel("Density")
pt.title("Distribution of the Mass of elements")
pt.show()

##################################################################################################### 
#Calculating number of moles with given mass and constant molecular weight
import matplotlib.pyplot as pt

cmass = [10, 22, 5, 7, 9, 210,30, 40, 50, 60, 70, 85, 25, 34, 100, 112, 140, 150]

# molecular mass of water ..

molecular_Mass = 18

#sorting the mass of elements 
#cmass.sort()

#no. of moles
n_moles = [ i / molecular_Mass for i in cmass ] 
n_moles.sort() #sorting the no. of moles list
print n_moles
# plotting the relation between cmass and n_moles

pt.scatter(cmass, n_moles)

print "\nPlot displaying Moles - Mass Relationship"

pt.xlabel("Mass of the compound")
pt.ylabel("No. of Moles")
pt.title("Moles v/s Mass")
pt.show()

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