def _get_cv(kelvin=1, gram=1, mol=1):
Al = Substance.from_formula('Al', data={'DebyeT': 428*kelvin})
Be = Substance.from_formula('Be', data={'DebyeT': 1440*kelvin})
def einT(s):
return 0.806*s.data['DebyeT']
return {s.name: EinsteinSolid([einT(s), s.mass * gram/mol], substance=s) for s in (Al, Be)}
def test_as_per_substance_html_table():
substances = OrderedDict([(k, Substance.from_formula(k)) for k in 'H OH'.split()])
assert html(as_per_substance_html_table([2, 3], substances)).count('<tr>') == 3
assert html(as_per_substance_html_table({'H': 2, 'OH': 3}, substances)).count('<tr>') == 3
# FutureLab
# Primer taller python
# Escribiendo fórmulas químicas
from chempy import Substance
ferricyanide = Substance.from_formula("Fe(CN)6-3")
ferricyanide.composition == {0: -3, 26: 1, 6: 6, 7: 6}
print(ferricyanide.unicode_name)
print("%.3f" % ferricyanide.mass)
def getMolarMass(formula, roundNumber):
sub = Substance.from_formula(formula)
mass = sub.molar_mass(u)
mass = round(mass, roundNumber)
return mass
DISSOCIATION_FACTORS = {
"CO2": lambda H, eqc, cell_id: 1 + eqc["K_CO2"].data[cell_id] * (1 / H + eqc["K_HCO3"].data[cell_id] / (H ** 2)),
"SO2": lambda H, eqc, cell_id: 1 + eqc["K_SO2"].data[cell_id] * (1 / H + eqc["K_HSO3"].data[cell_id] / (H ** 2)),
"NH3": lambda H, eqc, cell_id: 1 + eqc["K_NH3"].data[cell_id] / K_H2O * H,
"HNO3": lambda H, eqc, cell_id: 1 + eqc["K_HNO3"].data[cell_id] / H,
"O3": lambda _, __, ___: 1,
"H2O2": lambda _, __, ___: 1
}
class KineticConsts:
def __init__(self, formulae):
self.KINETIC_CONST = {
"k0": KinConst(formulae, k=2.4e4 / si.s / M, dT=0 * dT_u, T_0=ROOM_TEMP),
"k1": KinConst(formulae, k=3.5e5 / si.s / M, dT=-5530 * dT_u, T_0=ROOM_TEMP),
"k2": KinConst(formulae, k=1.5e9 / si.s / M, dT=-5280 * dT_u, T_0=ROOM_TEMP),
# Different unit due to a different pseudo-order of kinetics
"k3": KinConst(formulae, k=7.45e9 / si.s / M / M, dT=-4430 * dT_u, T_0=ROOM_TEMP),
}
SPECIFIC_GRAVITY = {
compound: Substance.from_formula(compound).mass * si.gram / si.mole / Md
for compound in {*GASEOUS_COMPOUNDS.values()}
}
for compounds in AQUEOUS_COMPOUNDS.values():
for compound in compounds:
SPECIFIC_GRAVITY[compound] = Substance.from_formula(compound).mass * si.gram / si.mole / Md
def test_Radioyltic__Reaction_html():
rate = Radiolytic([2.1*u.per100eV])
rxn = Reaction({}, {'H': 1}, rate)
H = Substance.from_formula('H')
html = rxn.html({'H': H}, with_param=True)
assert html == ' → H; %s' % str(rate)
def Mass(name= 'O'):
#Mole Mass Calculated by chempy
return Substance.from_formula(name).mass
def mol():
elems = [
'Ac', 'Ag', 'Al', 'Am', 'Ar', 'As', 'At', 'Au', 'B', 'Ba', 'Be', 'Bh',
'Bi', 'Bk', 'Br', 'C', 'Ca', 'Cd', 'Ce', 'Cf', 'Cl', 'Cm', 'Co', 'Cr',
'Cs', 'Cu', 'Ds', 'Db', 'Dy', 'Er', 'Es', 'Eu', 'F', 'Fe', 'Fm', 'Fr',
'Ga', 'Gd', 'Ge', 'H', 'He', 'Hf', 'Hg', 'Ho', 'Hs', 'I', 'In', 'Ir',
'K', 'Kr', 'La', 'Li', 'Lr', 'Lu', 'Md', 'Mg', 'Mn', 'Mo', 'Mt', 'N',
'Na', 'Nb', 'Nd', 'Ne', 'Ni', 'No', 'Np', 'O', 'Os', 'P', 'Pa', 'Pb',
'Pd', 'Pm', 'Po', 'Pr', 'Pt', 'Pu', 'Ra', 'Rb', 'Re', 'Rf', 'Rg', 'Rh',
'Rn', 'Ru', 'S', 'Sb', 'Sc', 'Se', 'Sg', 'Si', 'Sm', 'Sn', 'Sr', 'Ta',
'Tb', 'Tc', 'Te', 'Th', 'Ti', 'Tl', 'Tm', 'U', 'V', 'W', 'Xe', 'Y',
'Yb', 'Zn', 'Zr', 'NaH2PO4 ', ' H2CO3 ', ' BaSO4 ', ' CaCO3 ',
' CaO ', ' H2SO3 ', ' H3PO4 ', ' NaPO3 ', ' SO3 ',
' Be(OH)2 ', ' BaO ', ' Na2SO3 ', ' SO2 ', ' Li2O ',
' Na2HPO4 ', ' H4As2O7 ', ' CaC2 ', ' Mg(OH)2 ',
' HAsO3 ', ' KHSO4 ', ' H3PO4 ', ' NaCl ', ' HAsO2 ',
' UO3 ', ' CdSO4 ', ' HIO3 ', ' Ca(HCO3)2 ', ' FeS ',
' (NH4)2SO4 ', ' Hg2CO3 ', ' CaSO4 ', ' BeF2 ', ' Mg ',
' SiO2 ', ' K2O ', ' C ', ' Ca(OH)2 ', ' N2O3 ',
' SiO2 ', ' BaO2 ', ' Na2Cr2O7 ', ' Ca(OH)2 ',
' Fe2O3 ', ' CO2 ', ' Na2O ', ' NH4NO3 ', ' N2O5 ',
' CaS ', ' Al(OH)3 ', ' (CuOH)2CO3 ', ' SrBr2 ',
' H2O2 ', ' Ca(ClO3)2 ', ' PCl5 ', ' Zn ', ' Al2O3 ',
' PCl5 ', ' Zn ', ' BeO ', ' N2 ', ' BeSO4 ',
' Cu(CN)2 ', ' SiC ', ' NH3 ', ' Fe2(C2O4)3 ', ' H2 ',
' K ', ' CO ', ' HNO2 ', ' O2 ', ' NaHCO3 ', ' CO2 ',
' Xe ', ' MnS ', ' CaC2 ', ' ClO2 ', ' CuSO4 ',
' NaOH ', ' Ca(OH)2 ', ' PbCrO4 ', ' HgO ', ' (CN)2 ',
' BaCO3 ', ' H3AsO4 ', ' CaO ', ' Zn(OH)2 ', ' HNO3 ',
' UF4 ', ' Mn2O3 ', ' MnO2 ', ' AlN ', ' Ca3(PO4)2 ',
' S ', ' N2 ', ' CaCO3 ', ' As2O3 ', ' Be(OH)2 ',
' NaOH ', ' MgNH4PO4 ', ' H3PO4 ', ' CaS ', ' Cu ',
' (NH4)2BeF4 ', ' Sn(OH)2 ', ' NH4VO3 ', ' H3AsO3 ',
' NaCl ', ' Fe(OH)3 ', ' As2O5 ', ' NaOH ', ' VO2Cl ',
' B2O3 ', ' CH4 ', ' SiH4 ', ' TiCl4 ', ' Pb(OH)2 ',
' Si ', ' Si ', ' CaS2 ', ' Na2SnO3 ', ' Na2S2 ',
' (NH4)2Cr2O7 ', ' HCl ', ' KClO3 ', ' Zn ', ' Na2CO3 ',
' Ca(OH)2 ', ' CaS ', ' Sn(OH)4 ', ' Na ',
' Ca3(PO4)2 ', ' FeCl3 ', ' H3PO3 ', ' AlCl3 ', ' KOH ',
' H2SO4 ', ' SiO2 ', ' CaCN2 ', ' HCl ', ' KClO3 ',
' P4 ', ' P4O10 ', ' Sb ', ' NH4Cl ', ' KBr ',
' AgNO3 ', ' Ca3(PO4)2 ', ' POCl3 ', ' C2H5OH ',
' UO2 ', ' Ag2S ', ' C ', ' PCl3 ', ' H3PO4 ',
' MnO2 ', ' Fe2O3 ', ' PCl5 ', ' FeO ', ' Ca(NO3)2 ',
' Fe ', ' Fe2O3 ', ' FeSO4 ', ' NH3 ', ' Al ',
' BaCl2 ', ' Fe2(SO4)3 ', ' Au2S3 ', ' Au ', ' NiS ',
' Al ', ' C2H5OH ', ' Na2O2 ', ' Fe2O3 ', ' Pb(NO3)2 ',
' Al2(SO4)3 ', ' Au2O3 ', ' Ca3(PO4)2 ', ' SiCl4 ',
' Ca ', ' FeCl3 ', ' Al2O3 ', ' NO ', ' Pb3O4 ',
' CuSO4 ', ' KO2 ', ' P4O6 ', ' P4O10 ', ' Al ',
' Fe ', ' H3PO4 ', ' MnO2 ', ' K2CO3 ', ' PCl5 ',
' P4O6 ', ' Al(OH)3 ', ' Fe2(SO4)3 ', ' Bi(NO3)3 ',
' V2O5 ', ' Cr(OH)3 ', ' Hg(OH)2 ', ' Fe ', ' Ca3P2 ',
' H2SO4 ', ' Al(NO3)3 ', ' K2MnO4 ', ' Na3AsO3 ',
' Mg3N2 ', ' Fe3O4 ', ' C2H2 ', ' (NH4)2Cr2O7 ',
' C3H8 ', ' As ', ' H3BO3 ', ' Al ', ' V2O5 ',
' H3BO3 ', ' Na2B4O7 ', ' Pb ', ' C2H3Cl ',
' CaHPO4.2H2O ', ' Ca3(PO4)2 ', ' Se ', ' Al ',
' K3AsO4 ', ' I2 ', ' Al ', ' FeS ', ' Ca3(PO4)2 ',
' FeC2O4⋅2H2O ', ' MgNH4AsO4.6H2O ', ' H2SO4 ', ' U3O8 ',
' (NH4)3AsS4 ', ' Pb3(VO4)2.PbCl2 ', ' NH3 ', ' Hg2CrO4 ',
' Al4C3 ', ' Ca10F2(PO4)6 ', ' Ca5F(PO4)3 ',
' UO2(NO3)2.6H2O ', ' S8 ', ' NH3 ', ' HClO4 ', ' Au ',
' CO2 ', ' V2O5 ', ' FeS2 ', ' Si2H3 ', ' P4 ',
' H2S ', ' C4H10 ', ' Ca3(PO4)2 ', ' C6H6 ', ' C10H16 ',
' C7H6O2 ', ' C7H16 ', ' C7H10N ', ' KNO3 ',
' K4Fe(CN)6 ', ' K3[Fe(SCN)6] ', ' K4[Fe(SCN)6] '
]
values = []
elem = choice(elems)
for i in range(4):
values.append(randint(1, 5))
if len(elem) < 2 and values[0] != 1:
e = elem + str(values[0])
else:
e = elem
el = Substance.from_formula(f'{e}') # simpler
mm = el.molar_mass(u)
return render_template('mol.html', values=values, elem=e, mm=mm)
async def mass(self, ctx, *, substance: str):
"""Find the mass of an element or compound!
It doesn't even have to exist!"""
compound = Substance.from_formula(substance)
mass = compound.molar_mass()
await ctx.send(f'```py\nMolar mass of {compound.unicode_name}: {round(mass, 2)} g/mol```')
def Mass(name='O'):
#Mole Mass Calculated by chempy
return Substance.from_formula(name).mass
from chempy import Substance
from chempy import balance_stoichiometry
import sys
from pprint import pprint
from chempy import mass_fractions
print("PLEASE CAPITALIZE ELEMENTS RESPECTFULLY/CORRECTLY")
e1 = input('Reagent compound 1: ')
e2 = input('Reagent compound 2: ')
e3 = input('Product compound 1: ')
e4 = input('Product compound 2: ')
s1 = Substance.from_formula(e1)
s2 = Substance.from_formula(e2)
s3 = Substance.from_formula(e3)
s4 = Substance.from_formula(e4)
print(e1, "=", round(s1.molar_mass(), 3))
print(e2, "=", round(s2.molar_mass(), 3))
print(e3, "=", round(s3.molar_mass(), 3))
print(e4, "=", round(s4.molar_mass(), 3))
reac, prod = balance_stoichiometry({e1, e2}, {e3, e4})
pprint(reac)
pprint(prod)
for fractions in map(mass_fractions, [reac, prod]):
pprint({k: '{0:.3g} wt%'.format(v * 100) for k, v in fractions.items()})
from chempy import balance_stoichiometry # Main reaction in NASA's booster rockets:
from chempy import Substance
reac, prod = balance_stoichiometry({'NH4ClO4', 'Al'}, {'Al2O3', 'HCl', 'H2O', 'N2'})
from pprint import pprint
pprint(dict(reac))
# {'Al': 10, 'NH4ClO4': 6}
pprint(dict(prod))
# {'Al2O3': 5, 'H2O': 9, 'HCl': 6, 'N2': 3}
iron = Substance.from_formula('Fe')
x = Substance.from_formula("NH4ClO4")
print(x.mass)
def stoic():
eq = '''NaH2PO4 -> NaPO3 + H2O
H2CO3 -> H2O + CO2
BaSO4 + H2SO4 -> Ba(HSO4)2
CaCO3 -> CaO + CO2
CaO + H2O -> Ca(OH)2
H2SO3 -> H2O + SO2
H3PO4 + Ca(OH)2 -> CaHPO4.2H2O
NaPO3 + CuO -> NaCuPO4
SO3 + H2O -> H2SO4
Be(OH)2 -> BeO + H2O
BaO + H2O -> Ba(OH)2
Na2SO3 + S -> Na2S2O3
SO2 + H2O -> H2SO3
Li2O + H2O -> LiOH
Na2HPO4 -> Na4P2O7 + H2O
H4As2O7 -> As2O5 + H2O
CaC2 + N2 -> CaCN2 + C
Mg(OH)2 -> (MgOH)2O + H2O
HAsO3 -> As2O5 + H2O
KHSO4 -> K2S2O7 + H2O
H3PO4 -> H4P2O7 + H2O
NaCl + NH4HCO3 -> NaHCO3 + NH4Cl
HAsO2 -> As2O3 + H2O
UO3 + H2 -> UO2 + H2O
CdSO4 + H2S -> CdS + H2SO4
HIO3 -> I2O5 + H2O
Ca(HCO3)2 -> CaCO3 + CO2 + H2O
FeS + H2SO4 -> H2S + FeSO4
(NH4)2SO4 + CaCO3 -> (NH4)2CO3 + CaSO4
Hg2CO3 -> Hg + HgO + CO2
CaSO4 -> CaS + O2
BeF2 + Mg -> MgF2 + Be
Mg + N2 -> Mg3N2
SiO2 + Ca(OH)2 -> CaSiO3 + H2O
K2O + H2O -> KOH
C + H2O -> CO + H2
Ca(OH)2 + CO2 -> Ca(HCO3)2
N2O3 + H2O -> HNO2
SiO2 + Na2CO3 -> Na2SiO3 + CO2
BaO2 + H2SO4 -> BaSO4 + H2O2
Na2Cr2O7 + S -> Cr2O3 + Na2SO4
Ca(OH)2 + CO2 -> CaCO3 + H2O
Fe2O3 + SiO2 -> Fe2Si2O7
CO2 + NH3 + H2O -> NH4HCO3
Na2O + H2O -> NaOH
NH4NO3 -> N2O + H2O
N2O5 + H2O -> HNO3
CaS + H2O -> Ca(OH)2 + H2S
Al(OH)3 + NaOH -> NaAlO2 + H2O
(CuOH)2CO3 -> CuO + CO2 + H2O
SrBr2 + (NH4)2CO3 -> SrCO3 + NH4Br
H2O2 -> H2O + O2
Ca(ClO3)2 -> CaCl2 + O2
PCl5 + H2O -> POCl3 + HCl
Zn + KOH -> K2ZnO2 + H2
Al2O3 + Na2CO3 -> NaAlO2 + CO2
PCl5 + KNO2 -> NOCl + POCl3 + KCl
Zn + HCl -> ZnCl2 + H2
BeO + C + Cl2 -> BeCl2 + CO
N2 + O2 -> N2O
BeSO4 + NH4OH -> Be(OH)2 + (NH4)2SO4
Cu(CN)2 -> CuCN + C2N2
SiC + Cl2 -> SiCl4 + C
NH3 + O2 -> HNO3 + H2O
Fe2(C2O4)3 -> FeC2O4 + CO2
H2 + O2 -> H2O
K + Br2 -> KBr
CO + O2 -> CO2
HNO2 + O2 -> HNO3
O2 -> O3
NaHCO3 -> Na2CO3 + CO2 + H2O
CO2 + NH3 -> OC(NH2)2 + H2O
Xe + F2 -> XeF6
MnS + HCl -> H2S + MnCl2
CaC2 + H2O -> C2H2 + Ca(OH)2
ClO2 + H2O -> HClO2 + HClO3
CuSO4 + KCN -> Cu(CN)2 + K2SO4
NaOH + FeSO4 -> Na2SO4 + Fe(OH)2
Ca(OH)2 + H3PO4 -> CaHPO4 + H2O
PbCrO4 + HNO3 -> Pb(NO3)2 + H2CrO4
HgO -> Hg + O2
(CN)2 + NaOH -> NaCN + NaOCN + H2O
BaCO3 + HNO3 -> Ba(NO3)2 + CO2 + H2O
H3AsO4 -> As2O5 + H2O
CaO + C -> CaC2 + CO
Zn(OH)2 + NaOH -> Na2ZnO2 + H2O
HNO3 + P2O5 -> N2O5 + HPO3
UF4 + Mg -> MgF2 + U
Mn2O3 + Al -> Al2O3 + Mn
MnO2 + K2CO3 + KNO3 -> K2MnO4 + KNO2 + CO2
AlN + H2O -> NH3 + Al(OH)3
Ca3(PO4)2 + H2SO4 -> CaSO4 + Ca(H2PO4)2
S + N2O -> SO2 + N2
N2 + H2 -> NH3
CaCO3 + HCl -> CaCl2 + H2O + CO2
As2O3 + H2O -> H3AsO3
Be(OH)2 + NH4HF2 -> (NH4)2BeF4 + H2O
NaOH + Zn(NO3)2 -> NaNO3 + Zn(OH)2
MgNH4PO4 -> Mg2P2O7 + NH3 + H2O
H3PO4 + Ca(OH)2 -> Ca(H2PO4)2 + H2O
CaS + H2O -> Ca(HS)2 + Ca(OH)2
Cu + CO2 + O2 + H2O -> CuCO3.Cu(OH)2
(NH4)2BeF4 -> BeF2 + NH3 + HF
Sn(OH)2 + NaOH -> Na2SnO2 + H2O
NH4VO3 -> V2O5 + NH3 + H2O
H3AsO3 -> As2O3 + H2O
NaCl + H2SO4 -> Na2SO4 + HCl
Fe(OH)3 -> Fe2O3 + H2O
As2O5 + H2O -> H3AsO4
NaOH + Cl2 -> NaCl + NaClO + H2O
VO2Cl + NH4OH -> NH4VO3 + NH4Cl + H2O
B2O3 + H2O -> H3BO3
CH4 + O2 -> CO2 +H2O
SiH4 + O2 -> SiO2 + H2O
TiCl4 + Mg -> MgCl2 + Ti
Pb(OH)2 + NaOH -> Na2PbO2 + H2O
Si + NaOH + H2O -> Na2SiO3 + H2
Si + S8 -> Si2S4
CaS2 + O2 -> CaS2O3
Na2SnO3 + H2S -> SnS2 + NaOH + H2O
Na2S2 + O2 -> Na2S2O3
(NH4)2Cr2O7 -> Cr2O3 + N2 + H2O
HCl + K2CO3 -> KCl + H2O + CO2
KClO3 -> KCl + O2
Zn + NaOH + H2O -> Na2Zn(OH)4 + H2
Na2CO3 + HCl -> NaCl + H2O + CO2
Ca(OH)2 + P4O10 + H2O -> Ca(H2PO4)2
CaS + H2O + CO2 -> Ca(HCO3)2 + H2S
Sn(OH)4 + NaOH -> Na2SnO3 + H2O
Na + H2O -> NaOH + H2
Ca3(PO4)2 + SiO2 -> CaSiO3 + P2O5
FeCl3 + NH4OH -> Fe(OH)3 + NH4Cl
H3PO3 -> H3PO4 + PH3
AlCl3 + AgNO3 -> AgCl + Al(NO3)3
KOH + AlCl3 -> KCl + Al(OH)3
H2SO4 + NaHCO3 -> Na2SO4 + CO2 + H2O
SiO2 + HF -> SiF4 + H2O
CaCN2 + H2O -> CaCO3 + NH3
HCl + HNO3 -> NOCl + Cl2 + H2O
KClO3 -> KClO4 + KCl
P4 + O2 -> P2O5
P4O10 + HCl -> POCl3 + HPO3
Sb + O2 -> Sb4O6
NH4Cl + Ca(OH)2 -> CaCl2 + NH3 + H2O
KBr + Al(ClO4)3 -> AlBr3 + KClO4
AgNO3 + FeCl3 -> Fe(NO3)3 + AgCl
Ca3(PO4)2 + H3PO4 -> Ca(H2PO4)2
POCl3 + H2O -> H3PO4 + HCl
C2H5OH + O2 -> CO + H2O
UO2 + HF -> UF4 + H2O
Ag2S + KCN -> KAg(CN)2 + K2S
C + SiO2 + Cl2 -> SiCl4 + CO
PCl3 + H2O -> H3PO3 + HCl
H3PO4 + (NH4)2MoO4 + HNO3 -> (NH4)3PO4.12MoO3 + NH4NO3 + H2O
MnO2 + HCl -> MnCl2 + H2O + Cl2
Fe2O3 + C -> CO + Fe
PCl5 + P2O5 -> POCl3
FeO + H3PO4 -> Fe3(PO4)2 + H2O
Ca(NO3)2 -> CaO + NO2 + O2
Fe + O2 -> Fe2O3
Fe2O3 + H2 -> Fe + H2O
FeSO4 + K3[Fe(CN)6] -> Fe3[Fe(CN)6]2 + K2SO4
NH3 + O2 -> HNO2 + H2O
Al + O2 -> Al2O3
BaCl2 + Al2(SO4)3 -> BaSO4 + AlCl3
Fe2(SO4)3 + Ba(NO3)2 -> BaSO4 + Fe(NO3)3
Au2S3 + H2 -> Au + H2S
Au + HCl + HNO3 -> AuCl3 + NO + H2O
NiS + O2 -> NiO + SO2
Al + FeO -> Al2O3 + Fe
C2H5OH + O2 -> CO2 + H2O
Na2O2 + H2O -> NaOH + O2
Fe2O3 + CO -> Fe + CO2
Pb(NO3)2 -> PbO + NO2 + O2
Al2(SO4)3 + Ca(OH)2 -> CaSO4 + Al(OH)3
Au2O3 -> Au + O2
Ca3(PO4)2 + H2SO4 -> CaSO4 + H3PO4
SiCl4 + H2O -> H4SiO4 + HCl
Ca + AlCl3 -> CaCl2 + Al
FeCl3 + Ca(OH)2 -> CaCl2 + Fe(OH)3
Al2O3 + C + N2 -> AlN + CO
NO + NaOH -> NaNO2 + H2O + N2O
Pb3O4 + HNO3 -> Pb(NO3)2 + PbO2 + H2O
CuSO4 + KCN -> CuCN + K2SO4 + C2N2
KO2 + CO2 -> K2CO3 + O2
P4O6 -> P4 + P2O4
P4O10 + H2O -> H3PO4
Al + KOH + H2O -> KAlO2 + H2
Fe + H2O + O2 -> Fe2O3.H2O
H3PO4 + HCl -> PCl5 + H2O
MnO2 + KOH + O2 -> K2MnO4 + H2O
K2CO3 + C + N2 -> KCN + CO
PCl5 + H2O -> H3PO4 + HCl
P4O6 + H2O -> H3PO3
Al(OH)3 + H2SO4 -> Al2(SO4)3 + H2O
Fe2(SO4)3 + KOH -> K2SO4 + Fe(OH)3
Bi(NO3)3 + H2S -> Bi2S3 + HNO3
V2O5 + HCl -> VOCl3 + H2O
Cr(OH)3 + H2SO4 -> Cr2(SO4)3 + H2O
Hg(OH)2 + H3PO4 -> Hg3(PO4)2 + H2O
Fe + H2O -> Fe3O4 + H2
Ca3P2 + H2O -> Ca(OH)2 + PH3
H2SO4 + Al(OH)3 -> Al2(SO4)3 + H2O
Al(NO3)3 + Na2CO3 -> Al2(CO3)3 + NaNO3
K2MnO4 + H2SO4 -> KMnO4 + MnO2 + K2SO4 + H2O
Na3AsO3 + H2S -> As2S3 + NaOH
Mg3N2 + H2O -> Mg(OH)2 + NH3
Fe3O4 + H2 -> Fe + H2O
C2H2 + O2 -> CO2 + H2O
(NH4)2Cr2O7 -> NH3 + H2O + Cr2O3 + O2
C3H8 + O2 -> CO2 + H2O
As + NaOH -> Na3AsO3 + H2
H3BO3 + Na2CO3 -> Na2B4O7 + CO2 + H2O
Al + HCl -> AlCl3 + H2
V2O5 + Ca -> CaO + V
H3BO3 -> H4B6O11 + H2O
Na2B4O7 + HCl + H2O -> NaCl + H3BO3
Pb + Na + C2H5Cl -> Pb(C2H5)4 + NaCl
C2H3Cl + O2 -> CO2 + H2O + HCl
CaHPO4.2H2O + NaOH + H2O -> Na2HPO4.12H2O + Ca(OH)2
Ca3(PO4)2 + SiO2 -> P4O10 + CaSiO3
Se + NaOH -> Na2Se + Na2SeO3 + H2O
Al + NaOH + H2O -> NaAl(OH)4 + H2
K3AsO4 + H2S -> As2S5 + KOH + H2O
I2 + HNO3 -> HIO3 + NO2 + H2
Al + NH4ClO4 -> Al2O3 + AlCl3 + NO + H2O
FeS + O2 -> Fe2O3 + SO2
Ca3(PO4)2 + C -> Ca3P2 + CO
FeC2O4⋅2H2O + H2C2O4 + H2O2 + K2C2O4 -> K3[Fe(C2O4)3]⋅3H2O
MgNH4AsO4.6H2O -> Mg2As2O7 + NH3 + H2O
H2SO4 + HI -> H2S + I2 + H2O
U3O8 + HNO3 -> UO2(NO3)2 + NO2 + H2O
(NH4)3AsS4 + HCl -> As2S5 + H2S + NH4Cl
Pb3(VO4)2.PbCl2 + HCl -> VO2Cl + PbCl2 + H2O
NH3 + O2 -> NO + H2O
Hg2CrO4 -> Cr2O3 + Hg + O2
Al4C3 + H2O -> CH4 + Al(OH)3
Ca10F2(PO4)6 + H2SO4 -> Ca(H2PO4)2 + CaSO4 + HF
Ca5F(PO4)3 + H2SO4 -> Ca(H2PO4)2 + CaSO4 + HF
UO2(NO3)2.6H2O -> UO3 + NO2 + O2 + H2O
S8 + O2 -> SO3
NH3 + NO -> N2 + H2O
HClO4 + P4O10 -> H3PO4 + Cl2O7
Au + KCN + O2 + H2O -> K[Au(CN)2] + KOH
CO2 + H2O -> C6H12O6 + O2
V2O5 + Al -> Al2O3 + V
FeS2 + O2 -> Fe2O3 + SO2
Si2H3 + O2 -> SiO2 + H2O
P4 + H2O -> H3PO4 + H2
H2S + Cl2 -> S8 + HCl
C4H10 + O2 -> CO2 + H2O
Ca3(PO4)2 + SiO2 + C -> CaSiO3 + P4 + CO
C6H6 + O2 -> CO2 + H2O
C10H16 + Cl2 -> C + HCl
C7H6O2 + O2 -> CO2 + H2O
C7H16 + O2 -> CO2 + H2O
C7H10N + O2 -> CO2 + H2O + NO2
KNO3 + C12H22O11 -> N2 + CO2 + H2O + K2CO3
K4Fe(CN)6 + KMnO4 + H2SO4 -> KHSO4 + Fe2(SO4)3 + MnSO4 + HNO3 + CO2 + H2O
K3[Fe(SCN)6] + Na2Cr2O7 + H2SO4 -> Fe(NO3)3 + Cr2(SO4)3 + CO2 + H2O + Na2SO4 + KNO3
K4[Fe(SCN)6] + K2Cr2O7 + H2SO4 -> Fe2(SO4)3 + Cr2(SO4)3 + CO2 + H2O + K2SO4 + KNO3'''.split(
'\n')
q = choice(eq)
e = q.split('->')
r = e[0].split('+')
p = e[1].split('+')
mass = randint(1, 100)
reac, prod = balance_stoichiometry(set(r), set(p))
reacs = list(dict(reac).keys())
reacVals = list(dict(reac).values())
prods = list(dict(prod).keys())
prodVals = list(dict(prod).values())
try:
mm0 = Substance.from_formula(str(reacs[0])).molar_mass(u)
mm1 = Substance.from_formula(str(reacs[1])).molar_mass(u)
ans = ((((mass / mm0) * reacVals[1]) / reacVals[0]) * mm1) * u.g
except:
return redirect(url_for('stoic'))
return render_template('stoic.html',
equation=q,
reac=reacs,
reacVals=reacVals,
prod=prods,
prodVal=prodVals,
mass=mass,
mm0=mm0,
mm1=mm1,
ans=ans)
"""
default values for constants which can be altered by providing alternative
values in a constants dictionary passed to Formulae __init__ method
"""
import numpy as np
from scipy import constants as sci
from chempy import Substance
from .constants import si, M, PI_4_3, ONE_THIRD, THREE, T0, TWO_THIRDS, PI # pylint: disable=unused-import
Md = (0.78 * Substance.from_formula('N2').mass * si.gram / si.mole +
0.21 * Substance.from_formula('O2').mass * si.gram / si.mole +
0.01 * Substance.from_formula('Ar').mass * si.gram / si.mole)
Mv = Substance.from_formula('H2O').mass * si.gram / si.mole
R_str = sci.R * si.joule / si.kelvin / si.mole
N_A = sci.N_A / si.mole
eps = Mv / Md
Rd = R_str / Md
Rv = R_str / Mv
D0 = 2.26e-5 * si.metre**2 / si.second
D_exp = 1.81
K0 = 2.4e-2 * si.joules / si.metres / si.seconds / si.kelvins
# mass and heat accommodation coefficients
MAC = 1.
HAC = 1.
p1000 = 1000 * si.hectopascals
def __init__(self,
dt: float,
n_sd: int,
n_substep: int,
spectral_sampling: spec_sampling.
SpectralSampling = spec_sampling.Logarithmic):
self.formulae = Formulae(
saturation_vapour_pressure='AugustRocheMagnus')
self.DRY_RHO = 1800 * si.kg / (si.m**3)
self.dry_molar_mass = Substance.from_formula(
"NH4HSO4").mass * si.gram / si.mole
self.system_type = 'closed'
self.t_max = (2400 + 196) * si.s
self.output_interval = 10 * si.s
self.dt = dt
self.w = .5 * si.m / si.s
self.g = 10 * si.m / si.s**2
self.n_sd = n_sd
self.n_substep = n_substep
self.p0 = 950 * si.mbar
self.T0 = 285.2 * si.K
pv0 = .95 * self.formulae.saturation_vapour_pressure.pvs_Celsius(
self.T0 - const.T0)
self.q0 = const.eps * pv0 / (self.p0 - pv0)
self.kappa = .61
self.cloud_radius_range = (.5 * si.micrometre, 25 * si.micrometre)
self.mass_of_dry_air = 44
# note: rho is not specified in the paper
rho0 = 1
self.r_dry, self.n_in_dv = spectral_sampling(
spectrum=spectra.Lognormal(norm_factor=566 / si.cm**3 / rho0 *
self.mass_of_dry_air,
m_mode=.08 * si.um / 2,
s_geom=2)).sample(n_sd)
self.ENVIRONMENT_MOLE_FRACTIONS = {
"SO2": 0.2 * const.ppb,
"O3": 50 * const.ppb,
"H2O2": 0.5 * const.ppb,
"CO2": 360 * const.ppm,
"HNO3": 0.1 * const.ppb,
"NH3": 0.1 * const.ppb,
}
self.starting_amounts = {
"moles_" + k:
self.formulae.trivia.volume(self.r_dry) * self.DRY_RHO /
self.dry_molar_mass if k in ("N_mIII",
"S_VI") else np.zeros(self.n_sd)
for k in AQUEOUS_COMPOUNDS.keys()
}
self.dry_radius_bins_edges = np.logspace(
np.log10(.01 * si.um), np.log10(1 * si.um), 51, endpoint=True) / 2
def test_Radioyltic__Reaction_html():
rate = Radiolytic([2.1 * u.per100eV])
rxn = Reaction({}, {'H': 1}, rate)
H = Substance.from_formula('H')
html = rxn.html({'H': H}, with_param=True)
assert html == ' → H; %s' % str(rate)
# FutureLab
# Primer taller de Python
# Propiedades físicas de compuestos para su uso en química analítica
from chempy import Substance
from chempy.properties.water_density_tanaka_2001 import water_density as rho
from chempy.units import to_unitless, default_units as u
water = Substance.from_formula('H2O')
for T_C in (10, 15, 17):
concentration_H2O = rho(T=(273.15 + T_C) * u.kelvin,
units=u) / water.molar_mass(units=u)
print('[H2O] = %.2f M (at %d °C)' %
(to_unitless(concentration_H2O, u.molar), T_C))