Merge branch 'dev' of github.com:fedebenelli/yaeos into dev

python/docs/source/tutorial/more_calculations.ipynb

@@ -741,8 +741,8 @@
     "ids = [chemicals.CAS_from_any(name) for name in components]\n",
     "\n",
     "Tc = [chemicals.critical.Tc(id) for id in ids]\n",
-    "Pc = [chemicals.critical.Pc(id)/1e5 for id in ids]\n",
-    "w  = [chemicals.acentric.omega(id) for id in ids]\n",
+    "Pc = [chemicals.critical.Pc(id) / 1e5 for id in ids]\n",
+    "w = [chemicals.acentric.omega(id) for id in ids]\n",
     "\n",
     "z = [0.3, 0.7]\n",
     "\n",
@@ -802,12 +802,12 @@
     "\n",
     "plt.plot(env[\"Ts\"], env[\"Ps\"], label=\"Envelope\")\n",
     "plt.scatter(T, Psat)\n",
-    "plt.scatter(T, Psat+5)\n",
-    "plt.scatter(T, Psat-5)\n",
+    "plt.scatter(T, Psat + 5)\n",
+    "plt.scatter(T, Psat - 5)\n",
     "plt.ylabel(\"P [bar]\")\n",
     "plt.xlabel(\"T [K]\")\n",
     "plt.show()\n",
-    "Psat\n"
+    "Psat"
    ]
   },
   {
@@ -838,7 +838,7 @@
    "source": [
     "ws = np.linspace(0, 1, 100)\n",
     "\n",
-    "Ps = [Psat+5, Psat, Psat-5]\n",
+    "Ps = [Psat + 5, Psat, Psat - 5]\n",
     "\n",
     "for P in Ps:\n",
     "    tms = []\n",
@@ -852,11 +852,13 @@
     "plt.ylabel(\"tm\")\n",
     "plt.axhline(0, color=\"black\", linestyle=\"--\")\n",
     "plt.legend(title=\"Pressure [bar]\")\n",
-    "plt.title(\"\"\"\n",
+    "plt.title(\n",
+    "    \"\"\"\n",
     "          Comparison of tm values at different pressures. \n",
     "          It is clear that above the saturation pressure the composition z is stable.\n",
     "          But, below the saturation pressure the composition z is unstable and another phase appears.\n",
-    "          \"\"\")\n",
+    "          \"\"\"\n",
+    ")\n",
     "plt.show()"
    ]
   },
@@ -894,8 +896,8 @@
     "ids = [chemicals.CAS_from_any(name) for name in components]\n",
     "\n",
     "Tc = [chemicals.critical.Tc(id) for id in ids]\n",
-    "Pc = [chemicals.critical.Pc(id)/1e5 for id in ids]\n",
-    "w  = [chemicals.acentric.omega(id) for id in ids]\n",
+    "Pc = [chemicals.critical.Pc(id) / 1e5 for id in ids]\n",
+    "w = [chemicals.acentric.omega(id) for id in ids]\n",
     "\n",
     "z = [0.2, 0.2, 0.6]\n",
     "\n",
@@ -949,21 +951,24 @@
     "for j, w1 in enumerate(w1s):\n",
     "    for i, w2 in enumerate(w2s):\n",
     "        w = [w1, w2, 1 - w1 - w2]\n",
-    "        \n",
+    "\n",
     "        if w[-1] <= 0:\n",
     "            continue\n",
-    "        \n",
+    "\n",
     "        tm = model.stability_tm(z=z, w=w, pressure=P, temperature=T)\n",
-    "        if tm < minval: \n",
+    "        if tm < minval:\n",
     "            w_min = w\n",
     "            minval = tm\n",
     "        tms[i, j] = tm\n",
     "\n",
     "plt.imshow(tms, extent=(0, 1, 0, 1), origin=\"lower\", aspect=\"auto\")\n",
     "plt.contour(\n",
-    "    tms, extent=(0, 1, 0, 1), \n",
-    "    levels=[i/10 for i in range(-25, 25)], \n",
-    "    origin=\"lower\",colors=\"black\")\n",
+    "    tms,\n",
+    "    extent=(0, 1, 0, 1),\n",
+    "    levels=[i / 10 for i in range(-25, 25)],\n",
+    "    origin=\"lower\",\n",
+    "    colors=\"black\",\n",
+    ")\n",
     "\n",
     "plt.scatter(z[0], z[1], color=\"red\", label=\"Test pahse\")\n",
     "plt.scatter(w_min[0], w_min[1], color=\"blue\", label=\"New phase\")\n",
@@ -1041,7 +1046,7 @@
     }
    ],
    "source": [
-    "# Comparing the found w_min with the one obtained before by sweeping \n",
+    "# Comparing the found w_min with the one obtained before by sweeping\n",
     "# the composition space\n",
     "stab_analysis[\"w_min\"], w_min"
    ]

python/yaeos/core.py

@@ -1101,13 +1101,13 @@ def stability_analysis(self, z, pressure, temperature):
         -------
         dict
             Stability analysis result dictionary with keys:
-                - w_min: 
+                - w_min:
                     value of the test phase that minimizes
                     the :math:`tm` function
-                - tm_min: 
+                - tm_min:
                     minimum value of the :math:`tm` function
-                - all_mins_w: 
-                    all values of :math:`w` that minimize the 
+                - all_mins_w:
+                    all values of :math:`w` that minimize the
                     :math:`tm` function
         """
         (w_min, tm_min, all_mins_w) = yaeos_c.stability_zpt(
@@ -1128,7 +1128,7 @@ def stability_tm(self, z, w, pressure, temperature):
         z : array_like
             Global mole fractions
         w : array_like
-            Test Phase mole fractions 
+            Test Phase mole fractions
         pressure : float
             Pressure [bar]
         temperature : float