lib.reaction module

lib.reaction.translate(context: str, sourceText: str, disambiguation: str = None, n: int = -1) → str

class lib.reaction.Reaction(**kwargs)

Bases: object

Chemical reaction object

Attributes:

isCalculable

Methods

__call__(**kwargs)	Call self as a function.
conversion(corriente, T)	Calculate reaction conversion corriente: Corriente instance for reaction T: Temperature of reaction

calculo

status = 0

msg = 'undefined'

error = 0

kwargsValue = ('Hr',)

kwargsList = ('tipo', 'fase', 'key', 'base')

kwargsCheck = ('customHr', 'formula')

calculateValue = ('DeltaP', 'DeltaP_f', 'DeltaP_ac', 'DeltaP_h', 'DeltaP_v', 'DeltaP_100ft', 'V', 'f', 'Re', 'Tout')

TEXT_TYPE = ['Estequiometric', 'Equilibrium', 'Kinetic', 'Catalitic']

TEXT_PHASE = ['Global', 'Liquid', 'Gas']

TEXT_BASE = ['Mole', 'Mass', 'Partial pressure']

__init__(**kwargs)

constructor, kwargs keys can be: comp: array with index of reaction components coef: array with stequiometric coefficient for each component fase: Phase where reaction work

0 - Global 1 - Liquid 2 - Gas

key: Index of key component base

0 - Mol 1 - Mass 2 - Partial pressure

Hr: Heat of reaction, calculate from heat of formation if no input formula: boolean to show compound names in formules tipo: Kind of reaction

0 - Stequiometric, without equilibrium or kinetic calculations 1 - Equilibrium, without kinetic calculation 2 - Equilibrium by minimization of Gibbs free energy 3 - Kinetic 4 - Catalytic

conversion: conversion value for reaction with tipo=0 keq: equilibrium constant for reation with tipo=1

-it is float if it don’t depend with temperature -it is array if it depends with temperature

kwargs = {'Hr': 0.0, 'base': 0, 'coef': [], 'comp': [], 'conversion': None, 'customHr': False, 'fase': 0, 'formula': False, 'keq': None, 'key': 0, 'tipo': 0}

property isCalculable

calculo()

conversion(corriente, T)

Calculate reaction conversion corriente: Corriente instance for reaction T: Temperature of reaction

_txt(nombre=False)

Function to get text representation for reaction