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Addition of EoS JSON of R1336mzz(E) from Akasaka-IJT-2023 (#2309)
* Add EOS JSON for R1336mzz(E) from Akasaka-IJT-2023. * Add BibTeX entry for Akasaka-IJT-2023. * Add BibTeX_EOS label in R1336mzz(E).json. * Update R1336mzz(E).json Fix the triple point liquid density, without it, VLE calculations fail --------- Co-authored-by: Ian Bell <ian.h.bell@gmail.com>
This commit is contained in:
Jonas Freißmann
@@ -104,6 +104,18 @@
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Timestamp = {2013.04.10}
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}
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@Article{Akasaka-IJT-2023,
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Title = {{A Helmholtz Energy Equation of State for trans-1,1,1,4,4,4-Hexafluoro-2-butene [R-1336mzz(E)]}},
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Author = {Ryo Akasaka and Marcia L. Huber and Luke Simoni and Eric W. Lemmon},
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Journal = {International Journal of Thermophysics},
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Year = {2023},
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Pages = {1003-1013},
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Volume = {44},
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Doi = {10.1007/s10765-022-03143-5},
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Timestamp = {2023.10.24}
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}
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@Article{Akasaka-JPCRD-2015-R245fa,
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Title = {{A Fundamental Equation of State for 1,1,1,3,3-Pentafluoropropane (R-245fa)}},
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Author = {Ryo Akasaka and Yong Zhou and Eric W. Lemmon},
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330
dev/fluids/R1336mzz(E).json
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330
dev/fluids/R1336mzz(E).json
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@@ -0,0 +1,330 @@
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{
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"ANCILLARIES": {
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"pS": {
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"T_r": 403.53,
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"Tmax": 403.53,
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"Tmin": 0.0,
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"description": "P=Pc*EXP[SUM(Ni*Theta^ti)*Tc/T]",
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"n": [
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-8.2611,
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3.9076,
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-3.9675,
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-6.1565
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],
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"reducing_value": 2779000.0,
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"t": [
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1.0,
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1.5,
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1.88,
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4.47
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],
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"type": "pL",
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"using_tau_r": true
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},
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"rhoL": {
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"T_r": 403.53,
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"Tmax": 403.53,
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"Tmin": 0.0,
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"description": "D=Dc*[1+SUM(Ni*Theta^ti)]",
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"n": [
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2.1958,
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6.4706,
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-13.191,
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7.7906
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],
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"reducing_value": 3129.0,
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"t": [
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0.347,
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1.42,
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1.82,
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2.232
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],
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"type": "rhoLnoexp",
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"using_tau_r": false
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},
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"rhoV": {
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"T_r": 403.53,
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"Tmax": 403.53,
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"Tmin": 0.0,
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"description": "D=Dc*EXP[SUM(Ni*Theta^ti)]",
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"n": [
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-3.1511,
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-9.2173,
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-32.976,
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-86.791
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],
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"reducing_value": 3129.0,
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"t": [
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0.387,
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1.34,
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3.77,
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7.85
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],
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"type": "rhoV",
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"using_tau_r": false
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}
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},
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"EOS": [
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{
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"BibTeX_CP0": "",
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"BibTeX_EOS": "Akasaka-IJT-2023",
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"STATES": {
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"reducing": {
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"T": 403.53,
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"T_units": "K",
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"hmolar": -99999999999,
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"hmolar_units": "J/mol",
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"p": 2779000.0,
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"p_units": "Pa",
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"rhomolar": 3129.0,
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"rhomolar_units": "mol/m^3",
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"smolar": 999999999999999,
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"smolar_units": "J/mol/K"
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},
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"sat_min_liquid": {
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"T": 200.15,
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"T_units": "K",
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"hmolar": -999999999999,
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"hmolar_units": "J/mol",
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"p": 649.2750000000001,
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"p_units": "Pa",
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"rhomolar": 5681.7471741845075,
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"rhomolar_units": "mol/m^3",
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"smolar": 99999999999999999999,
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"smolar_units": "J/mol/K"
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},
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"sat_min_vapor": {
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"T": 200.15,
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"T_units": "K",
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"hmolar": 9999999999999,
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"hmolar_units": "J/mol",
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"p": 649.2750000000001,
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"p_units": "Pa",
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"rhomolar": 1e-10,
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"rhomolar_units": "mol/m^3",
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"smolar": 9999999999999999999,
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"smolar_units": "J/mol/K"
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}
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},
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"T_max": 410.0,
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"T_max_units": "K",
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"Ttriple": 200.15,
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"Ttriple_units": "K",
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"acentric": 0.413,
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"acentric_units": "-",
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"alpha0": [
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{
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"a1": 0.0,
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"a2": 0.0,
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"type": "IdealGasHelmholtzLead"
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},
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{
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"a": 3.0,
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"type": "IdealGasHelmholtzLogTau"
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},
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{
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"n": [
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-17.583859885194016,
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11.524417012948918
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],
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"t": [
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0.0,
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1.0
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],
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"type": "IdealGasHelmholtzPower"
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},
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{
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"n": [
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15.891,
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14.143
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],
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"t": [
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1.3629717740936238,
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8.609025351275
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],
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"type": "IdealGasHelmholtzPlanckEinstein"
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}
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],
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"alphar": [
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{
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"d": [
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4.0,
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1.0,
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1.0,
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2.0,
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3.0,
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1.0,
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3.0,
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2.0,
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2.0,
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7.0
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],
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"l": [
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0.0,
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0.0,
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0.0,
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0.0,
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0.0,
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2.0,
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2.0,
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1.0,
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2.0,
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1.0
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],
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"n": [
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0.08297005,
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1.1213658,
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-2.0279038680756,
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-0.3486706213113,
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0.13227952,
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-1.3751844,
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-1.3939029,
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0.11190839,
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-0.90635088,
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-0.050014594
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],
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"t": [
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1.0,
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0.117,
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1.0,
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1.0,
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0.413,
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2.44,
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2.51,
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0.535,
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1.927,
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1.186
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],
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"type": "ResidualHelmholtzPower"
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},
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{
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"beta": [
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1.237,
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0.384,
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1.24,
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0.46,
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1.326
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],
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"d": [
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1.0,
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1.0,
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3.0,
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2.0,
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2.0
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],
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"epsilon": [
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1.23,
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0.751,
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0.522,
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0.32,
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1.22
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],
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"eta": [
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1.234,
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1.34,
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1.13,
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1.15,
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1.3
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],
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"gamma": [
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1.21,
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2.0,
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1.216,
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2.27,
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1.26
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],
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"n": [
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1.7953748,
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2.0579712,
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-1.0433081,
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-1.2459808,
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-0.49712249
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],
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"t": [
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0.876,
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1.23,
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0.875,
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0.5181,
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0.86
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],
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"type": "ResidualHelmholtzGaussian"
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}
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],
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"gas_constant": 8.314462618,
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"gas_constant_units": "J/mol/K",
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"molar_mass": 0.1640491,
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"molar_mass_units": "kg/mol",
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"p_max": 5700000.0,
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"p_max_units": "Pa",
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"pseudo_pure": false
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}
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],
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"INFO": {
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"2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=-1",
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"ALIASES": [
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"(E)-1,1,1,4,4,4-HEXAFLUORO-2-BUTENE",
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"r1336mzz(e)",
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"R1336mzz(E)",
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"(E)-1,1,1,4,4,4-Hexafluoro-2-butene",
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"R1336MZZ(E)",
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"(e)-1,1,1,4,4,4-hexafluoro-2-butene"
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],
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"CAS": "66711-86-2",
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"CHEMSPIDER_ID": -1,
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"ENVIRONMENTAL": {
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"ASHRAE34": "A1",
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"FH": 0,
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"GWP100": 1.0,
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"GWP20": 0.0,
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"GWP500": 0.0,
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"HH": 0,
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"Name": "R1336MZZE",
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"ODP": 0.0,
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"PH": 1e+30
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},
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"FORMULA": "C_{4}H_{2}F_{6}",
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"INCHI_KEY": "NLOLSXYRJFEOTA-OWOJBTEDSA-N",
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"INCHI_STRING": "InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1+",
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"NAME": "R1336MZZE",
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"REFPROP_NAME": "R1336MZZE",
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"SMILES": "?"
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},
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"STATES": {
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"critical": {
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"T": 403.53,
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"T_units": "K",
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"hmolar": -99999999999,
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"hmolar_units": "J/mol",
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"p": 2779000.0,
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"p_units": "Pa",
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"rhomolar": 3129.0,
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"rhomolar_units": "mol/m^3",
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"smolar": 999999999999999,
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"smolar_units": "J/mol/K"
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},
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"triple_liquid": {
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"T": 200.15,
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"T_units": "K",
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"hmolar": -999999999999,
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"hmolar_units": "J/mol",
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"p": 649.2750000000001,
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"p_units": "Pa",
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"rhomolar": 5681.7471741845075,
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"rhomolar_units": "mol/m^3",
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"smolar": 99999999999999999999,
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"smolar_units": "J/mol/K"
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},
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"triple_vapor": {
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"T": 200.15,
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"T_units": "K",
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"hmolar": 9999999999999,
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"hmolar_units": "J/mol",
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"p": 649.2750000000001,
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"p_units": "Pa",
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"rhomolar": 1e-10,
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"rhomolar_units": "mol/m^3",
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"smolar": 9999999999999999999,
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"smolar_units": "J/mol/K"
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}
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}
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}
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