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ideal_gas_calculator.py
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ideal_gas_calculator.py
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import os
from numpy import exp, sqrt, log10, log as ln
import species_data
from chemistry.element import Element
R = species_data.R
# def get_molar_mass(sps):
# if sps in species_data.sps_M:
# return species_data.sps_M[sps]
# else:
# M = float(input(f" There don't have data exist, please enter the molar mass of {sps}: "))
# return M
def get_molar_mass(sps):
try:
element = Element(sps)
specie_data = element.get_info()['specie']
M_s_g = specie_data.get('molWeight')
M_s = M_s_g / 1000
return M_s
except ValueError as e:
print("Value error of molar mass")
def get_BlottnerEucken(sps):
try:
element = Element(sps)
transport_data = element.get_info()['transport']
blottner_eucken = transport_data.get('BlottnerEucken', {})
A = blottner_eucken.get('A')
B = blottner_eucken.get('B')
C = blottner_eucken.get('C')
return A, B, C
except ValueError as e:
print("Value error of BlottnerEucken")
def get_number_of_mixture_gases():
while True:
num = input(f"Please enter the number of gases in the mixture: ")
if num.isdigit():
return int(num)
else:
print("Invalid input. Please enter a valid number.")
def calculate_mixed_gas_properties():
while True:
num_gases = get_number_of_mixture_gases()
M_tot = 0
c_v_tol = 0
c_p_tol = 0
mu_tol = 0
T = Temperature()
for i in range(num_gases):
sps = input(f'Please enter the chemical formula of gas {i + 1}: ')
M_s = get_molar_mass(sps)
frac = float(input(f'Please enter the mole fraction of {sps}: '))
M_tot += frac * M_s
M_type = determine_molecule_type(sps)
if M_type.lower() == 'monatomic':
c_v = 3/2 * (R / M_s)
c_p = (R + c_v * M_s) / M_s # R = J/ kg*K, c_v = (J/K)
elif M_type.lower() == 'diatomic':
c_v = 3/2 * (R / M_s) + (R / M_s)
c_p = (R + c_v * M_s) / M_s
else:
print('Polyatomic or unknown, check the model')
continue
# Notice here is just apply the rule of mixture to calculate the specific heat capacity(c_rot + c_vib = c_vib), the vibration part will be added later
c_v_tol += frac * c_v
c_p_tol += frac * c_p
A, B, C = get_BlottnerEucken(sps)
mu_tol += frac * 0.1 * exp(A * (ln(T) ** 2) + B * ln(T) + C)
M_avg = float(M_tot)
R_specific = R / M_tot
gamma = c_p_tol / c_v_tol
return R_specific, gamma, M_avg, mu_tol, T, c_v_tol, c_p_tol
def Temperature():
T = float(input(f'Please enter the temperature of (K): '))
return T
def calculate_R_specific_gamma():
M_avg = None
mu_tol = None
while True:
method = input('Please choose the method to calculate R_specific (General/Boltzmann/Mayer): ')
if method.lower() == 'general':
R_specific, gamma, M_avg, mu_tol, T, c_v_tol, c_p_tol = calculate_mixed_gas_properties()
elif method.lower() == 'boltzmann':
M = float(input('Please enter the molar mass of the gas (kg/mol): '))
k_B = 1.38e-23 # Boltzmann constant
R_specific = k_B / M
gamma = None
M_avg = M
mu_tol = None
T = Temperature()
elif method.lower() == 'mayer':
c_p = float(input('Please enter the specific heat capacity at constant pressure (J/g·K): '))
c_v = float(input('Please enter the specific heat capacity at constant volume (J/g·K): '))
R_specific = c_p - c_v
gamma = c_p / c_v
T = Temperature()
M_avg = None
mu_tol = None
else:
print('Invalid method, Please input again')
continue
return R_specific, gamma, M_avg, mu_tol, T, c_v_tol, c_p_tol
def determine_molecule_type(sps_det):
element = Element(sps_det)
specie_data = element.get_info()['specie']
particle_type = specie_data.get('particleType')
if particle_type == 1:
print('Monatomic')
return 'Monatomic'
elif particle_type == 2:
print('Diatomic')
return 'Diatomic'
else:
return 'Polyatomic or Unknown'
def calculate_ideal_gas_properties():
while True:
gas_type = input('Please enter the gas type (Mixture/Single): ')
if gas_type.lower() == 'mixture':
R_specific, gamma, M_avg, mu_tol, T, c_v_tol, c_p_tol = calculate_R_specific_gamma()
elif gas_type.lower() == 'single':
sps = input(f"Please enter the chemical formula of gas(single):")
T = Temperature()
M = get_molar_mass(sps)
R_specific = R / M
else:
print('Invalid gas type, try again')
continue
given_properties = input('Please enter the given properties P or rho, Mach or u, L , separated by commas): ').split(',')
if 'P' or 'p' in given_properties or 'p' in given_properties:
P = float(input('Please enter the pressure (Pa): '))
else:
P = None
if 'rho' in given_properties:
rho = float(input('Please enter the density (moles) (kg/m^3): '))
else:
rho = None
if 'Mach' in given_properties:
mach = float(input('Please enter the Mach number in x direction: '))
else:
mach = None
if 'u' in given_properties:
u = float(input('Please enter the velocity in x direction (m/s): '))
else:
u = None
if 'L' or 'l' in given_properties:
L = float(input('Please enter the characteristic length (m): '))
else:
L = None
if L is None:
print('Basic gas calculaiton')
if P is None:
P = rho * R_specific * T
if rho is None:
rho = P / (R_specific * T)
c = sqrt(gamma * (P/rho))
if mach is None:
mach = u / c
if u is None:
u = mach * c
print(f'\nPressure: {P} Pa,\n Density: {rho} kg/m^3,\n Temperature: {T} K,\n'
f'R_specific: {R_specific} J/mol*K,\n Gamma: {gamma},\n Speed of sound in present gas: {c} m/s,\n'
f'Current Mach number: {mach},\n Current speed: {u} m/s,\n Average molecular weight: {M_avg} kg/mol,\n'
f'Dynamic viscosity: {mu_tol} Pa*s or N*s/m^2,\n c_p: {c_p_tol}J/g·K,\n c_v: {c_v_tol}J/g·K' )
break
else:
print('Flat plate boundary layer calculation')
if P is None:
P = rho * R_specific * T
if rho is None:
rho = P / (R_specific * T)
c = sqrt(gamma * (P/rho))
# c_2 = sqrt(gamma * R_specific * T)
if mach is None:
mach = u / c
Re = (rho * u * L) / mu_tol
if u is None:
u = mach * c
Re = (rho * mach * c * L) / mu_tol
print(f'\nPressure: {P} Pa,\n Density: {rho} kg/m^3,\n Temperature: {T} K,\n'
f'R_specific: {R_specific} J/mol*K,\n Gamma: {gamma},\n Speed of sound in present gas: {c} m/s,\n'
f'Current Mach number: {mach},\n Current speed: {u} m/s,\n Average molecular weight: {M_avg} kg/mol,\n'
f'Dynamic viscosity: {mu_tol} Pa*s or N*s/m^2,\n Reynolds number: {Re},\n c_p: {c_p_tol}J/g·K,\n c_v: {c_v_tol}J/g·K' )
break
if __name__ == "__main__":
calculate_ideal_gas_properties()