How to use the thermo.chemical.Chemical function in thermo

def test_IdealPPThermodynamic_enthalpy_Cpl_Cpg_Hvap_binary_Tb_ref():
    w = Chemical('water')
    MeOH = Chemical('methanol')
    
    m = Mixture(['water', 'methanol'], zs=[0.3, 0.7], T=298.15)
    pkg = IdealPPThermodynamic(VaporPressures=m.VaporPressures, Tms=m.Tms, Tbs=m.Tbs, Tcs=m.Tcs, Pcs=m.Pcs, 
                  HeatCapacityLiquids=m.HeatCapacityLiquids, HeatCapacityGases=m.HeatCapacityGases,
                  EnthalpyVaporizations=m.EnthalpyVaporizations) 
    pkg.set_T_transitions('Tb')

    # Full vapor flash, high T
    pkg.flash(T=1200, P=1E7, zs=m.zs)
    dH = pkg.enthalpy_Cpl_Cpg_Hvap()
    
    liq_w_dH = 0.3*w.HeatCapacityLiquid.T_dependent_property_integral(298.15, w.Tb)
    liq_MeOH_dH = 0.7*MeOH.HeatCapacityLiquid.T_dependent_property_integral(298.15, MeOH.Tb)
    dH_w_vapor = 0.3*w.HeatCapacityGas.T_dependent_property_integral(w.Tb, 1200) 
    dH_MeOH_vapor = 0.7*MeOH.HeatCapacityGas.T_dependent_property_integral(MeOH.Tb, 1200)

def test_IdealPPThermodynamic_single_component_H():
    w = Chemical('water')
    EnthalpyVaporization = w.EnthalpyVaporization
    HeatCapacityGas = w.HeatCapacityGas
    VaporPressure = w.VaporPressure
    
    m = Mixture(['water'], zs=[1], T=298.15)
    pkg = IdealPPThermodynamic(VaporPressures=m.VaporPressures, Tms=m.Tms, Tbs=m.Tbs, Tcs=m.Tcs, Pcs=m.Pcs, 
                  HeatCapacityLiquids=m.HeatCapacityLiquids, HeatCapacityGases=m.HeatCapacityGases,
                  EnthalpyVaporizations=m.EnthalpyVaporizations)
    
    # Check the enthalpy of vaporization matches at the reference temperature
    pkg.flash(T=298.15, P=1E5, zs=m.zs)
    H_pp = pkg.enthalpy_Cpg_Hvap()
    assert_allclose(H_pp, -EnthalpyVaporization(298.15))
    
    # Check it's pressure independent for the gas (at ref T)
    kw_options = [{'P': w.Psat}, {'P': 100}, {'P': 1E-10}, {'VF': 1}]

def test_IdealPPThermodynamic_enthalpy_Cpl_Cpg_Hvap_binary_Tc_ref():
    w = Chemical('water')
    MeOH = Chemical('methanol')
    
    m = Mixture(['water', 'methanol'], zs=[0.3, 0.7], T=298.15)
    pkg = IdealPPThermodynamic(VaporPressures=m.VaporPressures, Tms=m.Tms, Tbs=m.Tbs, Tcs=m.Tcs, Pcs=m.Pcs, 
                  HeatCapacityLiquids=m.HeatCapacityLiquids, HeatCapacityGases=m.HeatCapacityGases,
                  EnthalpyVaporizations=m.EnthalpyVaporizations) 
    pkg.set_T_transitions('Tc')
    
    # Liquid change only, but to the phase change barrier
    pkg.flash(T=298.15+200, VF=0, zs=m.zs)
    dH = pkg.enthalpy_Cpl_Cpg_Hvap()
    dH_hand = (0.3*w.HeatCapacityLiquid.T_dependent_property_integral(298.15, 298.15+200) 
                 +0.7*MeOH.HeatCapacityLiquid.T_dependent_property_integral(298.15, 298.15+200))
    assert_allclose(dH, dH_hand)
    # Flash a minute amount - check the calc still works and the value is the same
    pkg.flash(T=298.15+200, VF=1E-7, zs=m.zs)

def test_IdealPPThermodynamic_enthalpy_Cpl_Cpg_Hvap_binary_Tb_ref():
    w = Chemical('water')
    MeOH = Chemical('methanol')
    
    m = Mixture(['water', 'methanol'], zs=[0.3, 0.7], T=298.15)
    pkg = IdealPPThermodynamic(VaporPressures=m.VaporPressures, Tms=m.Tms, Tbs=m.Tbs, Tcs=m.Tcs, Pcs=m.Pcs, 
                  HeatCapacityLiquids=m.HeatCapacityLiquids, HeatCapacityGases=m.HeatCapacityGases,
                  EnthalpyVaporizations=m.EnthalpyVaporizations) 
    pkg.set_T_transitions('Tb')

    # Full vapor flash, high T
    pkg.flash(T=1200, P=1E7, zs=m.zs)
    dH = pkg.enthalpy_Cpl_Cpg_Hvap()
    
    liq_w_dH = 0.3*w.HeatCapacityLiquid.T_dependent_property_integral(298.15, w.Tb)
    liq_MeOH_dH = 0.7*MeOH.HeatCapacityLiquid.T_dependent_property_integral(298.15, MeOH.Tb)
    dH_w_vapor = 0.3*w.HeatCapacityGas.T_dependent_property_integral(w.Tb, 1200) 
    dH_MeOH_vapor = 0.7*MeOH.HeatCapacityGas.T_dependent_property_integral(MeOH.Tb, 1200)

Vfgs = list(Vfgs.values())
            length_matching = len(Vfgs) == len(IDs)
        else:
            raise Exception("One of 'zs', 'ws', 'Vfls', or 'Vfgs' is required to define the mixture")
        # Do not to a test on multiple composition inputs in case the user specified
        # a composition, plus one was set (it will be zero anyway)
        if len(IDs) > 1 and ((zs is not None) + (ws is not None) + (Vfgs is not None) + (Vfls is not None)) > 1:
            raise Exception('Multiple different composition arguments were '
                            "specified; specify only one of the arguments "
                            "'zs', 'ws', 'Vfls', or 'Vfgs'.")
        if not length_matching:
            raise Exception('Composition is not the same length as the component identifiers')


        self.components = tuple(IDs)
        self.Chemicals = [Chemical(component, P=P, T=T) for component in self.components]
        self.names = [i.name for i in self.Chemicals]
        self.MWs = [i.MW for i in self.Chemicals]
        self.CASs = [i.CAS for i in self.Chemicals]

        # Required for densities for volume fractions before setting fractions
        self.set_chemical_constants()
        self.set_chemical_TP()
        self.set_Chemical_property_objects()

        if zs:
            self.zs = zs if sum(zs) == 1 else [zi/sum(zs) for zi in zs]
            self.ws = zs_to_ws(zs, self.MWs)
        elif ws:
            self.ws = ws if sum(ws) == 1 else [wi/sum(ws) for wi in ws]
            self.zs = ws_to_zs(ws, self.MWs)
        elif Vfls or Vfgs:

(rhos, Cps) = [[] for i in range(2)]
    if not Tmin:  # pragma: no cover
        if chem.Tm:
            Tmin = chem.Tm-100
        else:
            Tmin = 150.
    if not Tmax:  # pragma: no cover
        if chem.Tm:
            Tmax = chem.Tm
        else:
            Tmax = 350

    Ts = np.linspace(Tmin, Tmax, pts)
    for T in Ts:
        chem = Chemical(chemical, T=T)
        rhos.append(chem.rhos)
        Cps.append(chem.Cps)

    data = OrderedDict()
    data['Density, kg/m^3'] = rhos
    data['Constant-pressure heat capacity, J/kg/K'] = Cps

    df = pd.DataFrame(data, index=Ts)
    df.index.name = 'T, K'
    return df

def tabulate_gas(chemical, Tmin=None, Tmax=None, pts=10):
    chem = Chemical(chemical)

    (rhos, Cps, Cvs, mugs, kgs, Prs, alphas, isobarics, isentropics, JTs) = [[] for i in range(10)]
    if not Tmin:  # pragma: no cover
        if chem.Tm:
            Tmin = chem.Tm
        else:
            Tmin = 273.15
    if not Tmax:  # pragma: no cover
        if chem.Tc:
            Tmax = chem.Tc
        else:
            Tmax = 450

    Ts = np.linspace(Tmin, Tmax, pts)
    for T in Ts:
        chem = Chemical(chemical, T=T)

def tabulate_constants(chemical, full=False, vertical=False):
    pd.set_option('display.max_rows', 100000)
    pd.set_option('display.max_columns', 100000)

    all_chemicals = OrderedDict()

    if isinstance(chemical, str):
        cs = [chemical]
    else:
        cs = chemical

    for chemical in cs:
        chem = Chemical(chemical)
        data = OrderedDict()
        data['CAS'] = chem.CAS
        data['Formula'] = chem.formula
        data['MW, g/mol'] = chem.MW
        data['Tm, K'] = chem.Tm
        data['Tb, K'] = chem.Tb
        data['Tc, K'] = chem.Tc
        data['Pc, Pa'] = chem.Pc
        data['Vc, m^3/mol'] = chem.Vc
        data['Zc'] = chem.Zc
        data['rhoc, kg/m^3'] = chem.rhoc
        data['Acentric factor'] = chem.omega
        data['Triple temperature, K'] = chem.Tt
        data['Triple pressure, Pa'] = chem.Pt
        data['Heat of vaporization at Tb, J/mol'] = chem.Hvap_Tbm
        data['Heat of fusion, J/mol'] = chem.Hfusm

def tabulate_liq(chemical, Tmin=None, Tmax=None, pts=10):
    chem = Chemical(chemical)

    (rhos, Cps, mugs, kgs, Prs, alphas, isobarics, JTs, Psats, sigmas, Hvaps,
     permittivities) = [[] for i in range(12)]
    if not Tmin:  # pragma: no cover
        if chem.Tm:
            Tmin = chem.Tm
        else:
            Tmin = 273.15
    if not Tmax:  # pragma: no cover
        if chem.Tc:
            Tmax = chem.Tc
        else:
            Tmax = 450

    Ts = np.linspace(Tmin, Tmax, pts)
    for T in Ts:

(rhos, Cps, mugs, kgs, Prs, alphas, isobarics, JTs, Psats, sigmas, Hvaps,
     permittivities) = [[] for i in range(12)]
    if not Tmin:  # pragma: no cover
        if chem.Tm:
            Tmin = chem.Tm
        else:
            Tmin = 273.15
    if not Tmax:  # pragma: no cover
        if chem.Tc:
            Tmax = chem.Tc
        else:
            Tmax = 450

    Ts = np.linspace(Tmin, Tmax, pts)
    for T in Ts:
        chem = Chemical(chemical, T=T)

        rhos.append(chem.rhol)
        Cps.append(chem.Cpl)
        mugs.append(chem.mul)
        kgs.append(chem.kl)
        Prs.append(chem.Prl)
        alphas.append(chem.alphal)
        isobarics.append(chem.isobaric_expansion_l)
        JTs.append(chem.JTg)
        Psats.append(chem.Psat)
        Hvaps.append(chem.Hvap)
        sigmas.append(chem.sigma)
        permittivities.append(chem.permittivity)

    data = OrderedDict()
    data['Saturation pressure, Pa'] = Psats