Finish adding a few long overdue utility functions

chemicals/numba.py

@@ -26,6 +26,7 @@
 to_change = ['utils.zs_to_ws', 'utils.ws_to_zs', 'utils.zs_to_Vfs',
      'utils.ms_to_ns', 'utils.ns_to_ms',
      'utils.ns_to_Qls', 'utils.Qls_to_ns',
+     'utils.Qls_to_ms', 'utils.ms_to_Qls',
      'utils.dxs_to_dxsn1', 'utils.dxs_to_dns', 'utils.dns_to_dn_partials',
      'utils.dxs_to_dn_partials', 'utils.dxs_to_dxsn1',
      'utils.d2xs_to_dxdn_partials', 'viscosity.Lorentz_Bray_Clarke',

chemicals/utils.py

@@ -38,6 +38,7 @@
 'Z',  'zs_to_ws', 'ws_to_zs', 'zs_to_Vfs',
 'Vfs_to_zs',
 'ms_to_ns', 'ns_to_ms', 'ns_to_Qls', 'Qls_to_ns',
+'Qls_to_ms', 'ms_to_Qls',
  'none_and_length_check', 'normalize', 'remove_zeros',
  'mixing_simple',
 'mixing_logarithmic', 'mixing_power', 'to_num', 'Parachor', 'property_molar_to_mass', 'property_mass_to_molar',
@@ -1006,6 +1007,7 @@ def Cp_minus_Cv(T, dP_dT, dP_dV):
         C_p - C_v= -T\left(\frac{\partial V}{\partial T}\right)_P^2/\left(
         \frac{\partial V}{\partial P}\right)_T
 
+    .. math::
         C_p - C_v = T\left(\frac{\partial P}{\partial T}\right)
         \left(\frac{\partial V}{\partial T}\right)
 
@@ -1494,6 +1496,7 @@ def zs_to_ws(zs, MWs):
     .. math::
         w_i = \frac{z_i MW_i}{MW_{avg}}
 
+    .. math::
         MW_{avg} = \sum_i z_i MW_i
 
     Parameters
@@ -1707,7 +1710,7 @@ def ns_to_ms(ns, MWs):
     weights for all species.
 
     .. math::
-        m_i = \frac{n_i \times MW_i}{1000}
+        m_i = \frac{n_i MW_i}{1000}
 
     Parameters
     ----------
@@ -1741,7 +1744,7 @@ def ns_to_Qls(ns, Vmls):
     flow rates. Requires standard liquid molar volumes for all species.
 
     .. math::
-        {Ql}_i = n_i \times {Vml}_i
+        {Ql}_i = n_i {Vml}_i
 
     Parameters
     ----------
@@ -1775,7 +1778,7 @@ def Qls_to_ns(Qls, Vmls):
     to mole flow rates. Requires standard liquid molar volumes for all species.
 
     .. math::
-        n_i = \frac{Ql_i}{Vml_i}
+        n_i = \frac{{Ql}_i}{{Vml}_i}
 
     Parameters
     ----------
@@ -1804,6 +1807,80 @@ def Qls_to_ns(Qls, Vmls):
         ns[i] = Qls[i]/Vmls[i]
     return ns
 
+def ms_to_Qls(ms, MWs, Vmls):
+    r'''Converts a list of mass flow rates to standard liquid volume 
+    flow rates. Requires molecular weights and standard molar liquid 
+    volumes for all species.
+
+    .. math::
+        {Ql}_i = \frac{1000 m_i {Vml}_i}{MW_i}
+
+    Parameters
+    ----------
+    ms : iterable
+        Mass flow rates [kg/s]
+    MWs : iterable
+        Molecular weights [g/mol]
+    Vmls : iterable
+        Standard liquid molar volumes [m^3/mol]
+
+    Returns
+    -------
+    Qls : iterable
+        Standard liquid volume flow rates [m^3/s]
+
+    Notes
+    -----
+    Does not check that inputs are of the same length.
+
+    Examples
+    --------
+    >>> ms_to_Qls([4.0, 5.0], [24, 45], [1e-4, 2e-4])
+    [0.0166666666, 0.0222222222]
+    '''
+    N = len(ms)
+    Qls = [0.0]*N
+    for i in range(N):
+        Qls[i] = 1e3*ms[i]/MWs[i]*Vmls[i]
+    return Qls
+
+def Qls_to_ms(Qls, MWs, Vmls):
+    r'''Converts a list of standard liquid volume flow rates to mass
+    flow rates. Requires molecular weights and standard liquid molar
+    volumes for all species.
+
+    .. math::
+        m_i = \frac{{Ql}_i {MW}_i}{1000 {Vml}_i}
+
+    Parameters
+    ----------
+    Qls : iterable
+        Standard liquid volume flow rates [m^3/s]
+    MWs : iterable
+        Molecular weights [g/mol]
+    Vmls : iterable
+        Molar volumes in the liquid phase [m^3/mol]
+
+    Returns
+    -------
+    ms : iterable
+        Mass flow rates [kg/s]
+
+    Notes
+    -----
+    Does not check that inputs are of the same length.
+
+    Examples
+    --------
+    >>> Qls_to_ms([1.666666666e-02, 1.11111111e-01], [24, 45], [1e-4, 2e-4])
+    [4.0, 25.0]
+    '''
+    N = len(Qls)
+    ms = [0.0]*N
+    for i in range(N):
+        ms[i] = 1e-3*Qls[i]*MWs[i]/Vmls[i]
+    return ms
+
 def dxs_to_dns(dxs, xs, dns=None):
     r'''Convert the mole fraction derivatives of a quantity (calculated so
     they do not sum to 1) to mole number derivatives (where the mole fractions

tests/test_utils.py

@@ -79,6 +79,8 @@
     ns_to_ms,
     ns_to_Qls,
     Qls_to_ns,
+    Qls_to_ms,
+    ms_to_Qls,
 )
 
 
@@ -693,4 +695,14 @@ def test_ns_to_Qls():
 
 def test_Qls_to_ns():
     ans = Qls_to_ns([3.405135210129374e-07, 1.885565470149901e-05, 3.4208426220155466e-06] , [1.8087205105724903e-05, 5.858784737690099e-05, 0.00019580845677748954])
-    assert_close1d(ans, [0.018826209965693327, 0.3218355946788565, 0.0174703517831351])
+    assert_close1d(ans, [0.018826209965693327, 0.3218355946788565, 0.0174703517831351])
+
+
+def test_ms_to_Qls():
+    ans = ms_to_Qls([0.00033915944387075575, 0.005163034654211768, 0.002485711001895458], [18.01528, 16.04246, 142.28168], [1.8087205105724903e-05, 5.858784737690099e-05, 0.00019580845677748954])
+    assert_close1d(ans, [3.405135210129374e-07, 1.885565470149901e-05, 3.4208426220155466e-06])
+    # Qls_to_ms, ms_to_Qls
+
+def test_Qls_to_ms():
+    ans = Qls_to_ms([3.405135210129374e-07, 1.885565470149901e-05, 3.4208426220155466e-06], [18.01528, 16.04246, 142.28168], [1.8087205105724903e-05, 5.858784737690099e-05, 0.00019580845677748954])
+    assert_close1d(ans, [0.00033915944387075575, 0.005163034654211768, 0.002485711001895458])