@@ -68,23 +68,21 @@ follows\ :footcite:p:`constantinou_new_1994` \ :footcite:p:`constantinou_estimat
6868
6969.. math ::
7070
71- \begin {align*}
72- M_{w,i} &= \bigg [\sum _{k = 1 }^{N_{g_1 }}\mathbf {N}_{ik}m_{w1 k} \bigg ] \times 10 ^{-3 }, \\
73- T_{c,i} &= 181.28 \ln \bigg [ \sum _{k=1 }^{N_{g_1 }} \mathbf {N}_{ik} t_{c1 k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} t_{c2 j} \bigg ],\\
74- p_{c,i} &= \Bigg ( \bigg [ \sum _{k=1 }^{N_{g_1 }} \mathbf {N}_{ik} p_{c1 k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} p_{c2 j} + 0.10022 \bigg ]^{-2 } + 1.3705 \Bigg )\times 10 ^{5 }, \label {eq:gcm-pc}\\
75- V_{c,i} &= \Bigg ( \bigg [ \sum _{k=1 }^{N_{g_1 }} \mathbf {N}_{ik} v_{c1 k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} v_{c2 j} \bigg ] -0.00435 \Bigg )\times 10 ^{-3 }, \\
76- T_{b,i} &= 204.359 \ln \bigg [ \sum _{k = 1 }^{N_{g_1 }} \mathbf {N}_{ik} t_{b1 k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} t_{b2 j}\bigg ],\\
77- T_{m,i} &= 102.425 \ln \bigg [ \sum _{k = 1 }^{N_{g_1 }} \mathbf {N}_{ik} t_{m1 k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} t_{m2 j}\bigg ],\\
78- \Delta H_{f,i} &= \Bigg ( \bigg [ \sum _{k = 1 }^{N_{g_1 }} \mathbf {N}_{ik} h_{f1 k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} h_{f2 j} \bigg ] + 10.835 \Bigg ) \times 10 ^3 ,\\
79- \Delta G_{f,i} &= \Bigg ( \bigg [ \sum _{k = 1 }^{N_{g_1 }} \mathbf {N}_{ik} g_{f1 k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} g_{f2 j} \bigg ] -14.828 \Bigg ) \times 10 ^3 ,\\
80- \Delta H_{v,\textit {stp},i} &= \Bigg ( \bigg [ \sum _{k = 1 }^{N_{g_1 }} \mathbf {N}_{ik} h_{v1 k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} h_{v2 j} \bigg ] + 6.829 \Bigg ) \times 10 ^3 , \\
81- \omega _i &= 0.4085 \ln \bigg ( \Big [ \sum _{k=1 }^{N_{g_1 }} \mathbf {N}_{ik} \omega _{1 k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} \omega _{2 j} + 1.1507 \Big ]^{1 /0.5050 } \bigg ), \label {eq:gcm-omega}\\
82- V_{m,\textit {stp},i} &= \Bigg ( \bigg [ \sum _{k=1 }^{N_{g_1 }} \mathbf {N}_{ik} v_{m1 k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} v_{m2 j} \bigg ] + 0.01211 \Bigg )\times 10 ^{-3 }, \\
83- C_{p,i} & =\bigg [\sum _{k=1 }^{N_{g_1 }} \mathbf {N}_{ik} C_{pA1 _k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} C_{pA2 _j} -19.7779 \bigg ] \nonumber \\
84- & +\bigg [\sum _{k=1 }^{N_{g_1 }} \mathbf {N}_{ik} C_{pB1 _k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} C_{pB2 _j} + 22.5981 \bigg ] \theta \nonumber \\
85- & +\bigg [\sum _{k=1 }^{N_{g_1 }} \mathbf {N}_{ik} C_{pC1 _k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} C_{pC2 _j} - 10.7983 \bigg ] \theta ^2 \\
86- \theta &= \frac {T - 298.15 }{700 }
87- \end {align*}
71+ M_{w,i} &= \bigg [\sum _{k = 1 }^{N_{g_1 }}\mathbf {N}_{ik}m_{w1 k} \bigg ] \times 10 ^{-3 }, \\
72+ T_{c,i} &= 181.28 \ln \bigg [ \sum _{k=1 }^{N_{g_1 }} \mathbf {N}_{ik} t_{c1 k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} t_{c2 j} \bigg ],\\
73+ p_{c,i} &= \Bigg ( \bigg [ \sum _{k=1 }^{N_{g_1 }} \mathbf {N}_{ik} p_{c1 k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} p_{c2 j} + 0.10022 \bigg ]^{-2 } + 1.3705 \Bigg )\times 10 ^{5 }, \label {eq:gcm-pc}\\
74+ V_{c,i} &= \Bigg ( \bigg [ \sum _{k=1 }^{N_{g_1 }} \mathbf {N}_{ik} v_{c1 k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} v_{c2 j} \bigg ] -0.00435 \Bigg )\times 10 ^{-3 }, \\
75+ T_{b,i} &= 204.359 \ln \bigg [ \sum _{k = 1 }^{N_{g_1 }} \mathbf {N}_{ik} t_{b1 k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} t_{b2 j}\bigg ],\\
76+ T_{m,i} &= 102.425 \ln \bigg [ \sum _{k = 1 }^{N_{g_1 }} \mathbf {N}_{ik} t_{m1 k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} t_{m2 j}\bigg ],\\
77+ \Delta H_{f,i} &= \Bigg ( \bigg [ \sum _{k = 1 }^{N_{g_1 }} \mathbf {N}_{ik} h_{f1 k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} h_{f2 j} \bigg ] + 10.835 \Bigg ) \times 10 ^3 ,\\
78+ \Delta G_{f,i} &= \Bigg ( \bigg [ \sum _{k = 1 }^{N_{g_1 }} \mathbf {N}_{ik} g_{f1 k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} g_{f2 j} \bigg ] -14.828 \Bigg ) \times 10 ^3 ,\\
79+ \Delta H_{v,\textit {stp},i} &= \Bigg ( \bigg [ \sum _{k = 1 }^{N_{g_1 }} \mathbf {N}_{ik} h_{v1 k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} h_{v2 j} \bigg ] + 6.829 \Bigg ) \times 10 ^3 , \\
80+ \omega _i &= 0.4085 \ln \bigg ( \Big [ \sum _{k=1 }^{N_{g_1 }} \mathbf {N}_{ik} \omega _{1 k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} \omega _{2 j} + 1.1507 \Big ]^{1 /0.5050 } \bigg ), \label {eq:gcm-omega}\\
81+ V_{m,\textit {stp},i} &= \Bigg ( \bigg [ \sum _{k=1 }^{N_{g_1 }} \mathbf {N}_{ik} v_{m1 k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} v_{m2 j} \bigg ] + 0.01211 \Bigg )\times 10 ^{-3 }, \\
82+ C_{p,i} & =\bigg [\sum _{k=1 }^{N_{g_1 }} \mathbf {N}_{ik} C_{pA1 _k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} C_{pA2 _j} -19.7779 \bigg ] \nonumber \\
83+ & +\bigg [\sum _{k=1 }^{N_{g_1 }} \mathbf {N}_{ik} C_{pB1 _k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} C_{pB2 _j} + 22.5981 \bigg ] \theta \nonumber \\
84+ & +\bigg [\sum _{k=1 }^{N_{g_1 }} \mathbf {N}_{ik} C_{pC1 _k} + \sum _{j=1 }^{N_{g_2 }} \mathbf {M}_{ij} C_{pC2 _j} - 10.7983 \bigg ] \theta ^2 \\
85+ \theta &= \frac {T - 298.15 }{700 }
8886
8987
9088 .. _eq-GCM-correlations :
@@ -154,9 +152,7 @@ Liquids\ :footcite:p:`viswanath_viscosity_2007`) provided :math:`T` in :math:`^{
154152
155153.. math ::
156154
157- \begin {align*}
158155 \nu _i = 10 ^{-6 } \times \exp \bigg \{-3.0171 + \frac {442.78 + 1.6452 \, T_{b,i}}{T + 239 - 0.19 \, T_{b,i}} \bigg \}.
159- \end {align*}
160156
161157
162158
@@ -196,14 +192,13 @@ with an updated :math:`\phi_i` parameter\ :footcite:p:`govindaraju_group_2016`:
196192 where
197193
198194.. math ::
199- \begin {align*}
195+
200196 Z_{c,i} &= 0.29056 - 0.08775 \omega _i, \\
201197 \phi _i &=
202198 \begin {cases}
203199 (1 - T_{r,i})^{2 /7 } - (1 - T_{r,\textit {stp},i})^{2 /7 }, & \text { if } T \leq T_{c,i} \\
204200 - (1 - T_{r,\textit {stp},i})^{2 /7 }, & \text { if } T > T_{c,i}
205201 \end {cases}. \label {eq:phi}
206- \end {align*}
207202
208203 Density
209204^^^^^^^
@@ -251,20 +246,17 @@ The Lee-Kesler\ :footcite:p:`lee_generalized_1975` method defines
251246
252247.. math ::
253248
254- \begin {align*}
255249 f_i^{(0 )} &= 5.92714 - \frac {6.09648 }{T_{r,i}} - 1.28862 \ln T_{r,i} + 0.169347 \, T_{r,i}^6 , \\
256250 f_i^{(1 )} &= 15.2518 - \frac {15.6875 }{T_{r,i}} - 13.4721 \ln T_{r,i} + 0.43577 \, T_{r,i}^6 , \\
257251 f_i^{(2 )} &= 0 ,
258- \end {align*}
259252
260253 The Ambrose-Walton\ :footcite:p: `ambrose_vapour_1989 ` correlation sets:
261254
262255.. math ::
263- \begin {align*}
256+
264257 f_i^{(0 )} &= \frac {- 5.97616 \tau _i + 1.29874 \tau _i^{1.5 } - 0.60394 \tau _i^{2.5 } - 1.06841 \tau _i^{5 }}{T_{r,i}}, \\
265258 f_i^{(1 )} &= \frac {- 5.03365 \tau _i + 1.11505 \tau _i^{1.5 } - 5.41217 \tau _i^{2.5 } - 7.46628 \tau _i^{5 },}{T_{r,i}}, \\
266259 f_i^{(2 )} &= \frac {- 0.64771 \tau _i + 2.41539 \tau _i^{1.5 } - 4.26979 \tau _i^{2.5 } - 3.25259 \tau _i^{5 }}{T_{r,i}},
267- \end {align*}
268260
269261 with :math: `\tau _i = 1 - T_{r,i}`.
270262
@@ -275,9 +267,8 @@ Users also have the option to return the coefficients from an Antoine fit based
275267the mixture vapor pressure calculated from Raoult's law above. Antoine's equation is:
276268
277269.. math ::
278- \begin {align*}
270+
279271 \log _{10 }\Big (\frac {p_{v,i}}{D_i}\Big ) = A_i - \frac {B_i}{C_i + T},
280- \end {align*}
281272
282273 where :math: `D_i` is a conversion factor for converting :math: `p_{v,i}` to units of bar (:math: `D_i = 10 ^5 `) or dyne/cm :sup: `2` (:math: `D_i = 10 ^{-1 }`) from Pa.
283274This feature was added to provide `Pele <https://amrex-combustion.github.io >`_ users an option for estimating these coefficients for use in CFD
@@ -468,9 +459,8 @@ Mixture vapor pressure
468459The vapor pressure of the mixture is calculated according to Raoult's law:
469460
470461.. math ::
471- \begin {align*}
462+
472463 p_{v} = \sum _{i = 1 }^{N_c} X_i \, p_{\textit {sat},i}.
473- \end {align*}
474464
475465 .. automethod :: FuelLib.fuel.mixture_vapor_pressure_antoine_coeffs
476466 :noindex:
@@ -479,9 +469,8 @@ Users also have the option to return the coefficients from an Antoine fit based
479469the mixture vapor pressure calculated from Raoult's law above. Antoine's equation is:
480470
481471.. math ::
482- \begin {align*}
472+
483473 \log _{10 }\Big (\frac {p_{v}}{D}\Big ) = A - \frac {B}{C + T},
484- \end {align*}
485474
486475 where :math: `D` is a conversion factor for converting :math: `p_v` to units of bar (:math: `D = 10 ^5 `) or dyne/cm :sup: `2` (:math: `D = 10 ^{-1 }`) from Pa.
487476This feature was added to provide `Pele <https://amrex-combustion.github.io >`_ users an option for estimating these coefficients for use in CFD
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