{ "version": "1.0.0", "rawTable": "T,P,x1,y1\n350,95.1231021766,0.05,0.397541594878\n350,117.520916467,0.1,0.53077032703\n350,131.905141838,0.15,0.595154769218\n350,141.205237741,0.2,0.63180564642\n350,147.272516218,0.25,0.654784397753\n350,151.292599421,0.3,0.6702631806\n350,154.031922207,0.35,0.681430781649\n350,155.987558621,0.4,0.690155624231\n350,157.479413663,0.45,0.697663664229\n350,158.707198211,0.5,0.704857144627\n350,159.785232867,0.55,0.712486383637\n350,160.762693458,0.6,0.721258929793\n350,161.63364466,0.65,0.731925839437\n350,162.339129214,0.7,0.745369445624\n350,162.762120978,0.75,0.762714971027\n350,162.714951716,0.8,0.785496721107\n350,161.91761903,0.85,0.815933393162\n350,159.963927575,0.9,0.857424000598\n350,156.270410477,0.95,0.91551770969", "set": { "version": "1.0.0", "name": "Synthetic A / Synthetic B", "names": [ "Synthetic A", "Synthetic B" ], "source": "Synthetic teaching data, NRTL tau12=0.8, tau21=1.2, alpha=0.3; Synthetic Antoine definitions reproduce Psat1=150 kPa, Psat2=60 kPa at 350 K; declared range 300–390 K. Not real-compound Antoine constants. Not experimental measurements.", "path": "isothermal", "synthetic": false, "rows": [ { "row": 2, "T": 350, "PkPa": 95.1231021766, "x": 0.05, "y": 0.397541594878, "s": [ 150.00000000000003, 60.00000000000003 ], "HE": null, "ln": [ 1.6178131354435017, 0.005383944168550592 ], "f": 1.612429191274951, "reason": null }, { "row": 3, "T": 350, "PkPa": 117.520916467, "x": 0.1, "y": 0.53077032703, "s": [ 150.00000000000003, 60.00000000000003 ], "HE": null, "ln": [ 1.4251402486831513, 0.02096936108425851 ], "f": 1.4041708875988927, "reason": null }, { "row": 4, "T": 350, "PkPa": 131.905141838, "x": 0.15, "y": 0.595154769218, "s": [ 150.00000000000003, 60.00000000000003 ], "HE": null, "ln": [ 1.2496339416756062, 0.046006977960420414 ], "f": 1.2036269637151857, "reason": null }, { "row": 5, "T": 350, "PkPa": 141.205237741, "x": 0.2, "y": 0.63180564642, "s": [ 150.00000000000003, 60.00000000000003 ], "HE": null, "ln": [ 1.0898435835749556, 0.07986906244726288 ], "f": 1.0099745211276927, "reason": 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{ "A": 6.653258697961224, "B": 1567.0086036169398, "C": 0, "TminK": 300, "TmaxK": 390, "temperatureUnit": "K", "pressureUnit": "kPa", "form": "log10-plus" }, { "A": 7.00151326244011, "B": 1828.176704219763, "C": 0, "TminK": 300, "TmaxK": 390, "temperatureUnit": "K", "pressureUnit": "kPa", "form": "log10-plus" } ], "pressureSource": "Antoine correlations evaluated at every measured T", "inputUnits": { "temperatureUnit": "K", "pressureUnit": "kPa", "HE": "J/mol" }, "assumptions": "Binary mole fractions; ideal vapor; negligible Poynting and excess-volume pressure contributions. Supplied saturation pressures must apply at each measured T. Property sources and validity are the user’s responsibility." }, "diagnostics": { "area": { "area": { "positive": 0.3371972763367694, "negative": 0.34510997048790193, "signed": -0.007912694151132549, "D": 1.1596966305072574, "xmin": 0.05, "xmax": 0.95 }, "partial": { "positive": 0.3371972763367694, "negative": 0.34510997048790193, "signed": -0.007912694151132549, "D": 1.1596966305072574, "xmin": 0.05, "xmax": 0.95 }, "points": [ { "x": 0.05, "f": 1.612429191274951 }, { "x": 0.1, "f": 1.4041708875988927 }, { "x": 0.15, "f": 1.2036269637151857 }, { "x": 0.2, "f": 1.0099745211276927 }, { "x": 0.25, "f": 0.8224584186163879 }, { "x": 0.3, "f": 0.6403827513303257 }, { "x": 0.35, "f": 0.4631033774008202 }, { "x": 0.4, "f": 0.2900213329784629 }, { "x": 0.45, "f": 0.12057700153176842 }, { "x": 0.5, "f": -0.045755075956879665 }, { "x": 0.55, "f": -0.20947084643952785 }, { "x": 0.6, "f": -0.3710409283705136 }, { "x": 0.65, "f": -0.5309144044460394 }, { "x": 0.7, "f": -0.6895222848882563 }, { "x": 0.75, "f": -0.8472806950002916 }, { "x": 0.8, "f": -1.004593834047757 }, { "x": 0.85, "f": -1.1618567474465618 }, { "x": 0.9, "f": -1.3194579498144074 }, { "x": 0.95, "f": -1.4777819330988597 } ], "full": false, "conditional": false, "extension": "none", "J": 0, "DminusJ": 1.1596966305072574, "redlichKister": { "status": "not-assessed", "reason": "Full composition range is missing." }, "herington": { "status": "not-applicable", "reason": "Use the isothermal area criterion for this path." } }, "differential": { "points": [ { "x": 0.1, "raw": 0.0012853002551076464, "residual": 0.0012853002551076464, "heat": 0, "dTdx": -1.8189894035458565e-12 }, { "x": 0.15, "raw": 0.001148204571350675, "residual": 0.001148204571350675, "heat": 0, "dTdx": 4.547473508864641e-13 }, { "x": 0.2, "raw": 0.001022395012189925, "residual": 0.001022395012189925, "heat": 0, "dTdx": 3.637978807091713e-12 }, { "x": 0.25, "raw": 0.0009064522390032081, "residual": 0.0009064522390032081, "heat": 0, "dTdx": 0 }, { "x": 0.3, "raw": 0.0007991316798636738, "residual": 0.0007991316798636738, "heat": 0, "dTdx": 0 }, { "x": 0.35, "raw": 0.0006993367413543616, "residual": 0.0006993367413543616, "heat": 0, "dTdx": 4.547473508864641e-13 }, { "x": 0.4, "raw": 0.0006060961438789647, "residual": 0.0006060961438789647, "heat": 0, "dTdx": -4.547473508864641e-13 }, { "x": 0.45, "raw": 0.0005185453013716312, "residual": 0.0005185453013716312, "heat": 0, "dTdx": 0 }, { "x": 0.5, "raw": 0.0004359106927669387, "residual": 0.0004359106927669387, "heat": 0, "dTdx": -7.275957614183426e-12 }, { "x": 0.55, "raw": 0.0003574953417713189, "residual": 0.0003574953417713189, "heat": 0, "dTdx": 0 }, { "x": 0.6, "raw": 0.00028266743482463497, "residual": 0.00028266743482463497, "heat": 0, "dTdx": 0 }, { "x": 0.65, "raw": 0.00021085007598520278, "residual": 0.00021085007598520278, "heat": 0, "dTdx": 0 }, { "x": 0.7, "raw": 0.00014151220832125944, "residual": 0.00014151220832125944, "heat": 0, "dTdx": 0 }, { "x": 0.75, "raw": 0.00007416106405111478, "residual": 0.00007416106405111478, "heat": 0, "dTdx": 0 }, { "x": 0.8, "raw": 0.00000833473510297722, "residual": 0.00000833473510297722, "heat": 0, "dTdx": 0 }, { "x": 0.85, "raw": -0.00005640378553417591, "residual": -0.00005640378553417591, "heat": 0, "dTdx": 0 }, { "x": 0.9, "raw": -0.00012047232539247332, "residual": -0.00012047232539247332, "heat": 0, "dTdx": 0 } ], "score": 0.05101923298747166, "assessed": true, "status": "meets-criterion", "criterion": "100 × mean |d(gE/RT)/dx − ln(γ1/γ2) + H^E/(RT²) dT/dx| < 5 (teaching threshold)", "reason": "Local finite differences, not the NIST Padé-based Kojima point-test implementation. Derivatives amplify noise and depend on spacing." } }, "fit": { "model": "nrtl", "alpha": 0.3, "temperatureDependent": false, "parameters": [ 0.7999999736333492, 1.1999999655810936 ], "parameterNames": [ "tau12", "tau21" ], "temperatureLaw": "Dimensionless parameters held constant across the measured temperature range", "objective": 1.762053225008815e-12, "iterations": 54, "converged": true, "atBound": false, "runs": [ { "v": [ 0.8000002322384805, 1.1999997153499766 ], "f": 3.785248314242105e-12, "iterations": 55, "converged": true }, { "v": [ 0.7999998154143632, 1.200000118888461 ], "f": 4.102690295070373e-12, "iterations": 56, "converged": true }, { "v": [ 0.79999987552854, 1.200000188529681 ], "f": 2.4742945537054268e-12, "iterations": 52, "converged": true }, { "v": [ 0.8000001978208586, 1.199999855152803 ], "f": 3.639596204793254e-12, "iterations": 56, "converged": true }, { "v": [ 0.7999999736333492, 1.1999999655810936 ], "f": 1.762053225008815e-12, "iterations": 54, "converged": 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"ycalc": 0.9155177125687907, "pressureResidual": -3.2551545475979797e-7, "yResidual": 2.8787906503069394e-9 } ], "deltaP": 0.0000011414059038025518, "deltaY": 3.830669918696528e-7, "status": "meets-reproduction-threshold", "method": "Joint unweighted mean [(100 ΔP/P)^2 + (100 Δy)^2], bounded multistart Nelder–Mead. These reproduction thresholds are teaching diagnostics, not certification of experimental consistency. No measurement weighting, parameter confidence intervals or global parameter-optimum claim." }, "evidence": {}, "reflection": "", "workspace": { "schema": "thermo-controls-v1", "lab": "vle-input", "savedAt": "2026-10-19T16:10:41.265Z", "context": { "fitKind": "synthetic" }, "controls": { "vi-name1": "Synthetic A", "vi-name2": "Synthetic B", "vi-source": "Synthetic teaching data, NRTL tau12=0.8, tau21=1.2, alpha=0.3; Synthetic Antoine definitions reproduce Psat1=150 kPa, Psat2=60 kPa at 350 K; declared range 300–390 K. Not real-compound Antoine constants. Not experimental measurements.", "vi-path": "isothermal", "vi-Tunit": "K", "vi-Punit": "kPa", "vi-c1-form": "log10-plus", "vi-c1-A": "6.653258697961224", "vi-c1-B": "1567.0086036169398", "vi-c1-C": "0", "vi-c1-TminK": "300", "vi-c1-TmaxK": "390", "vi-c1-temperatureUnit": "K", "vi-c1-pressureUnit": "kPa", "vi-c2-form": "log10-plus", "vi-c2-A": "7.00151326244011", "vi-c2-B": "1828.176704219763", "vi-c2-C": "0", "vi-c2-TminK": "300", "vi-c2-TmaxK": "390", "vi-c2-temperatureUnit": "K", "vi-c2-pressureUnit": "kPa", "vi-data": "T,P,x1,y1\n350,95.1231021766,0.05,0.397541594878\n350,117.520916467,0.1,0.53077032703\n350,131.905141838,0.15,0.595154769218\n350,141.205237741,0.2,0.63180564642\n350,147.272516218,0.25,0.654784397753\n350,151.292599421,0.3,0.6702631806\n350,154.031922207,0.35,0.681430781649\n350,155.987558621,0.4,0.690155624231\n350,157.479413663,0.45,0.697663664229\n350,158.707198211,0.5,0.704857144627\n350,159.785232867,0.55,0.712486383637\n350,160.762693458,0.6,0.721258929793\n350,161.63364466,0.65,0.731925839437\n350,162.339129214,0.7,0.745369445624\n350,162.762120978,0.75,0.762714971027\n350,162.714951716,0.8,0.785496721107\n350,161.91761903,0.85,0.815933393162\n350,159.963927575,0.9,0.857424000598\n350,156.270410477,0.95,0.91551770969", "vi-extension": "none", "vi-chart": "residual", "vi-model": "nrtl", "vi-alpha": "0.3", "vi-dependent": false, "vle-evidence-count": "40", "vle-evidence-seed": "42", "vle-evidence-method": "interleaved", "vle-evidence-fraction": "0.2", "vi-reflection": "" } } }