feat(mixtures): add mixture models from Bell-JCED-2025 and Bell-IJT-2020 (#2748)

Adds 75 new/updated binary mixture interaction parameters:

**Bell-JCED-2025** (doi:10.1021/acs.jced.4c00699):
- 19 Phase II pairs with full 4-parameter models (βT, γT, βv, γv):
  RC318/n-Butane, R125/CF3I, R32/CF3I, IsoButane/R1234ze(Z),
  R1243zf/IsoButane, propane/R1234yf, propane/R1243zf,
  R125/R1234ze(E), R125/R1243zf, R143a/R1234ze(E),
  R1243zf/R152a, R152a/R245fa, R1234ze(E)/R245fa, R124/RC318
- 5 existing pairs updated with improved 4-parameter models:
  CO2/R1234yf, CO2/R1234ze(E), R1234ze(E)/IsoButane,
  propane/R1234ze(E), R152a/R1234ze(E)
- 55 Phase I pairs with γT only (βT=βv=γv=1)

**Bell-IJT-2020** (doi:10.1007/s10765-020-02700-4):
- CO2/CF3I pair from Bell & McLinden 2020

Closes #2726

Co-authored-by: Claude Sonnet 4.6 <noreply@anthropic.com>
This commit is contained in:
Ian Bell
2026-04-20 15:03:30 -04:00
committed by GitHub
parent 10c7ba2ac1
commit c075a168fb
2 changed files with 896 additions and 37 deletions

View File

@@ -390,6 +390,25 @@
Doi = {10.1063/5.0124188}
}
@Article{Bell-JCED-2025,
Title = {{Modeling Mixtures Containing Refrigerants: Updated Interaction Parameters}},
Author = {Ian H. Bell},
Journal = {J. Chem. Eng. Data},
Year = {2025},
Doi = {10.1021/acs.jced.4c00699}
}
@Article{Bell-IJT-2020,
Title = {{The Status of Thermodynamic Data and Models for CF$_3$I and its Mixtures}},
Author = {Ian H. Bell and Mark O. McLinden},
Journal = {Int. J. Thermophys.},
Volume = {41},
Number = {9},
Pages = {125},
Year = {2020},
Doi = {10.1007/s10765-020-02700-4}
}
@Article{Bell-JRN-2016,
Title = {{Helmholtz Energy Transformations of Common Cubic Equations of State for Use with Pure Fluids and Mixtures}},
Author = {Ian H. Bell and Andreas J{\"a}ger},

View File

@@ -4806,28 +4806,28 @@
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2016",
"BibTeX": "Bell-JCED-2025",
"CAS1": "124-38-9",
"CAS2": "754-12-1",
"F": 0.0,
"Name1": "CO2",
"Name2": "R1234YF",
"betaT": 1.01128,
"betaV": 1.0,
"gammaT": 0.98477,
"gammaV": 1.0
"Name1": "CarbonDioxide",
"Name2": "R1234yf",
"betaT": 1.025281,
"betaV": 1.051991,
"gammaT": 0.972965,
"gammaV": 1.029336
},
{
"BibTeX": "Bell-JCED-2016",
"BibTeX": "Bell-JCED-2025",
"CAS1": "124-38-9",
"CAS2": "29118-24-9",
"F": 0.0,
"Name1": "CO2",
"Name1": "CarbonDioxide",
"Name2": "R1234ze(E)",
"betaT": 1.00219,
"betaV": 1.0,
"gammaT": 1.02234,
"gammaV": 1.0
"betaT": 1.008025,
"betaV": 1.142918,
"gammaT": 0.973804,
"gammaV": 1.076023
},
{
"BibTeX": "Bell-JCED-2016",
@@ -7290,16 +7290,16 @@
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2016",
"CAS1": "75-28-5",
"CAS2": "29118-24-9",
"BibTeX": "Bell-JCED-2025",
"CAS1": "29118-24-9",
"CAS2": "75-28-5",
"F": 0.0,
"Name1": "ISOBUTAN",
"Name2": "R1234ze(E)",
"betaT": 1.00591,
"betaV": 1.0,
"gammaT": 0.9282,
"gammaV": 1.0
"Name1": "R1234ze(E)",
"Name2": "IsoButane",
"betaT": 0.975553,
"betaV": 1.169554,
"gammaT": 0.921592,
"gammaV": 1.076561
},
{
"BibTeX": "Bell-JCED-2016",
@@ -8178,16 +8178,16 @@
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2016",
"BibTeX": "Bell-JCED-2025",
"CAS1": "74-98-6",
"CAS2": "29118-24-9",
"F": 0.0,
"Name1": "PROPANE",
"Name1": "n-Propane",
"Name2": "R1234ze(E)",
"betaT": 1.01336,
"betaV": 1.0,
"gammaT": 0.93387,
"gammaV": 1.0
"betaT": 1.01347,
"betaV": 0.997417,
"gammaT": 0.932901,
"gammaV": 1.014015
},
{
"BibTeX": "Bell-JCED-2016",
@@ -9057,16 +9057,16 @@
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2016",
"CAS1": "29118-24-9",
"CAS2": "75-37-6",
"BibTeX": "Bell-JCED-2025",
"CAS1": "75-37-6",
"CAS2": "29118-24-9",
"F": 0.0,
"Name1": "R1234ze(E)",
"Name2": "R152A",
"betaT": 0.99902,
"betaV": 1.0,
"gammaT": 0.99579,
"gammaV": 1.0
"Name1": "R152A",
"Name2": "R1234ze(E)",
"betaT": 1.011543,
"betaV": 0.896336,
"gammaT": 1.00236,
"gammaV": 0.932409
},
{
"BibTeX": "Bell-JCED-2016",
@@ -9778,5 +9778,845 @@
"function": "R1234ze(E)-R227ea",
"gammaT": 0.98918,
"gammaV": 1.001581
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "115-25-3",
"CAS2": "106-97-8",
"F": 0.0,
"Name1": "RC318",
"Name2": "n-Butane",
"betaT": 0.98944,
"betaV": 0.954663,
"gammaT": 0.916288,
"gammaV": 0.900133
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "354-33-6",
"CAS2": "2314-97-8",
"F": 0.0,
"Name1": "R125",
"Name2": "R13I1",
"betaT": 0.989972,
"betaV": 1.009413,
"gammaT": 0.955147,
"gammaV": 1.004957
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "75-10-5",
"CAS2": "2314-97-8",
"F": 0.0,
"Name1": "R32",
"Name2": "R13I1",
"betaT": 0.993026,
"betaV": 1.013481,
"gammaT": 0.934839,
"gammaV": 0.858023
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "75-28-5",
"CAS2": "29118-25-0",
"F": 0.0,
"Name1": "IsoButane",
"Name2": "R1234ze(Z)",
"betaT": 0.986167,
"betaV": 1.175372,
"gammaT": 0.895596,
"gammaV": 1.148579
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "677-21-4",
"CAS2": "75-28-5",
"F": 0.0,
"Name1": "R1243zf",
"Name2": "IsoButane",
"betaT": 0.992492,
"betaV": 1.011434,
"gammaT": 0.949404,
"gammaV": 0.957174
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "74-98-6",
"CAS2": "754-12-1",
"F": 0.0,
"Name1": "n-Propane",
"Name2": "R1234yf",
"betaT": 1.006037,
"betaV": 1.013434,
"gammaT": 0.937793,
"gammaV": 1.013195
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "74-98-6",
"CAS2": "677-21-4",
"F": 0.0,
"Name1": "n-Propane",
"Name2": "R1243zf",
"betaT": 1.01028,
"betaV": 1.019094,
"gammaT": 0.947551,
"gammaV": 0.989477
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "354-33-6",
"CAS2": "29118-24-9",
"F": 0.0,
"Name1": "R125",
"Name2": "R1234ze(E)",
"betaT": 0.994388,
"betaV": 1.028287,
"gammaT": 1.00124,
"gammaV": 0.999334
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "354-33-6",
"CAS2": "677-21-4",
"F": 0.0,
"Name1": "R125",
"Name2": "R1243zf",
"betaT": 0.98612,
"betaV": 1.115873,
"gammaT": 0.998591,
"gammaV": 1.015249
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "420-46-2",
"CAS2": "29118-24-9",
"F": 0.0,
"Name1": "R143a",
"Name2": "R1234ze(E)",
"betaT": 0.975352,
"betaV": 1.249976,
"gammaT": 0.997695,
"gammaV": 1.03652
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "677-21-4",
"CAS2": "75-37-6",
"F": 0.0,
"Name1": "R1243zf",
"Name2": "R152A",
"betaT": 1.016137,
"betaV": 0.870452,
"gammaT": 1.001256,
"gammaV": 0.937785
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "75-37-6",
"CAS2": "460-73-1",
"F": 0.0,
"Name1": "R152A",
"Name2": "R245fa",
"betaT": 1.008563,
"betaV": 1.046161,
"gammaT": 0.959794,
"gammaV": 1.001461
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "29118-24-9",
"CAS2": "460-73-1",
"F": 0.0,
"Name1": "R1234ze(E)",
"Name2": "R245fa",
"betaT": 0.978878,
"betaV": 1.183949,
"gammaT": 1.00424,
"gammaV": 0.992729
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "2837-89-0",
"CAS2": "115-25-3",
"F": 0.0,
"Name1": "R124",
"Name2": "RC318",
"betaT": 0.965569,
"betaV": 0.800141,
"gammaT": 0.967104,
"gammaV": 0.978347
},
{
"BibTeX": "Bell-IJT-2020",
"CAS1": "124-38-9",
"CAS2": "2314-97-8",
"F": 0.0,
"Name1": "CarbonDioxide",
"Name2": "R13I1",
"betaT": 1.01377,
"betaV": 1.0,
"gammaT": 0.963166,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "124-38-9",
"CAS2": "102687-65-0",
"F": 0.0,
"Name1": "CarbonDioxide",
"Name2": "R1233zd(E)",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 1.029404,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "124-38-9",
"CAS2": "677-21-4",
"F": 0.0,
"Name1": "CarbonDioxide",
"Name2": "R1243zf",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.998004,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "124-38-9",
"CAS2": "353-36-6",
"F": 0.0,
"Name1": "CarbonDioxide",
"Name2": "R161",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 1.001584,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "124-38-9",
"CAS2": "406-58-6",
"F": 0.0,
"Name1": "CarbonDioxide",
"Name2": "R365MFC",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 1.069544,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "74-84-0",
"CAS2": "29118-24-9",
"F": 0.0,
"Name1": "Ethane",
"Name2": "R1234ze(E)",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.978541,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "109-66-0",
"CAS2": "76-16-4",
"F": 0.0,
"Name1": "n-Pentane",
"Name2": "R116",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.902139,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "109-66-0",
"CAS2": "75-71-8",
"F": 0.0,
"Name1": "n-Pentane",
"Name2": "R12",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 1.0048,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "74-98-6",
"CAS2": "76-15-3",
"F": 0.0,
"Name1": "n-Propane",
"Name2": "R115",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.943234,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "74-98-6",
"CAS2": "29118-25-0",
"F": 0.0,
"Name1": "n-Propane",
"Name2": "R1234ze(Z)",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.932391,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "74-98-6",
"CAS2": "75-73-0",
"F": 0.0,
"Name1": "n-Propane",
"Name2": "R14",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.919519,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "74-98-6",
"CAS2": "75-45-6",
"F": 0.0,
"Name1": "n-Propane",
"Name2": "R22",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.942193,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "76-14-2",
"CAS2": "76-15-3",
"F": 0.0,
"Name1": "R114",
"Name2": "R115",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 1.018048,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "754-12-1",
"CAS2": "102687-65-0",
"F": 0.0,
"Name1": "R1234yf",
"Name2": "R1233zd(E)",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.988723,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "677-21-4",
"CAS2": "754-12-1",
"F": 0.0,
"Name1": "R1243zf",
"Name2": "R1234yf",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.99483,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "677-21-4",
"CAS2": "29118-24-9",
"F": 0.0,
"Name1": "R1243zf",
"Name2": "R1234ze(E)",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.994508,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "811-97-2",
"CAS2": "102687-65-0",
"F": 0.0,
"Name1": "R134a",
"Name2": "R1233zd(E)",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.97102,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "811-97-2",
"CAS2": "677-21-4",
"F": 0.0,
"Name1": "R134a",
"Name2": "R1243zf",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.991272,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "75-68-3",
"CAS2": "1717-00-6",
"F": 0.0,
"Name1": "R142b",
"Name2": "R141b",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.997148,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "420-46-2",
"CAS2": "75-45-6",
"F": 0.0,
"Name1": "R143a",
"Name2": "R22",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 1.000486,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "75-73-0",
"CAS2": "754-12-1",
"F": 0.0,
"Name1": "R14",
"Name2": "R1234yf",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 1.037562,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "75-73-0",
"CAS2": "76-19-7",
"F": 0.0,
"Name1": "R14",
"Name2": "R218",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 1.06198,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "75-37-6",
"CAS2": "7664-41-7",
"F": 0.0,
"Name1": "R152A",
"Name2": "Ammonia",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.915213,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "75-37-6",
"CAS2": "76-14-2",
"F": 0.0,
"Name1": "R152A",
"Name2": "R114",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.935196,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "75-37-6",
"CAS2": "102687-65-0",
"F": 0.0,
"Name1": "R152A",
"Name2": "R1233zd(E)",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.979525,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "75-37-6",
"CAS2": "75-68-3",
"F": 0.0,
"Name1": "R152A",
"Name2": "R142b",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.972651,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "75-37-6",
"CAS2": "76-19-7",
"F": 0.0,
"Name1": "R152A",
"Name2": "R218",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.882036,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "353-36-6",
"CAS2": "29118-24-9",
"F": 0.0,
"Name1": "R161",
"Name2": "R1234ze(E)",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 1.005443,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "353-36-6",
"CAS2": "75-37-6",
"F": 0.0,
"Name1": "R161",
"Name2": "R152A",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 1.001541,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "76-19-7",
"CAS2": "754-12-1",
"F": 0.0,
"Name1": "R218",
"Name2": "R1234yf",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.957668,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "76-19-7",
"CAS2": "2837-89-0",
"F": 0.0,
"Name1": "R218",
"Name2": "R124",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.959339,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "75-43-4",
"CAS2": "75-45-6",
"F": 0.0,
"Name1": "R21",
"Name2": "R22",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.999486,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "75-45-6",
"CAS2": "75-73-0",
"F": 0.0,
"Name1": "R22",
"Name2": "R14",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 1.032615,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "690-39-1",
"CAS2": "75-28-5",
"F": 0.0,
"Name1": "R236FA",
"Name2": "IsoButane",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.906586,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "75-46-7",
"CAS2": "754-12-1",
"F": 0.0,
"Name1": "R23",
"Name2": "R1234yf",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.994572,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "75-46-7",
"CAS2": "76-19-7",
"F": 0.0,
"Name1": "R23",
"Name2": "R218",
"betaT": 1.0,
"betaV": 1.0,
"gammaT": 0.929796,
"gammaV": 1.0
},
{
"BibTeX": "Bell-JCED-2025",
"CAS1": "460-73-1",
"CAS2": "102687-65-0",
"F": 0.0,
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