improvements

Author: EvenSol

.github/skills/neqsim-unisim-reader/SKILL.md

@@ -326,6 +326,55 @@ that was specifically fitted with both OMEGAA and BICs together.
 NeqSim's E300 recognized name map — they will be treated as TBP pseudo-fractions
 with estimated density.
 
+### E300 Fluid Export (DEFAULT — Recommended Route)
+
+**The E300 export route is the default and preferred method for transferring
+fluid definitions from UniSim to NeqSim.** It preserves all critical properties
+(Tc, Pc, acentric factor, MW, BIPs, volume shifts, parachors) for both standard
+and hypothetical/pseudo components — including C7+ fractions that cannot be
+accurately recreated by component name mapping alone.
+
+When `UniSimReader.read()` is called with `export_e300=True` (the default),
+it extracts critical properties from each component in each fluid package via COM,
+then writes an E300 file per fluid package to the output directory.
+
+**COM properties extracted per component:**
+- `component.CriticalTemperature` → Tc (K)
+- `component.CriticalPressure` → Pc (kPa → bara, divide by 100)
+- `component.AcentricFactor` → omega
+- `component.MolecularWeight` → MW (g/mol)
+- `component.NormalBoilingPoint` → Tboil (K)
+- `component.CriticalVolume` → Vcrit (m³/kgmol)
+
+**BIPs extracted via:** `FluidPackage.PropertyPackage.GetBIP(i, j)` or
+`PropertyPackage.BinaryInteractionParameters` (matrix fallback).
+
+**E300 file format keywords:**
+`METRIC`, `NCOMPS`, `EOS`, `PRCORR`, `RTEMP`, `STCOND`, `CNAMES`, `TCRIT`,
+`PCRIT`, `ACF`, `MW`, `TBOIL`, `VCRIT`, `SSHIFT`, `PARACHOR`, `ZI`, `BIC`
+
+**NeqSim loading:** Use `EclipseFluidReadWrite.read(e300Path)` in Java, or
+via Python: `jneqsim.thermo.util.readwrite.EclipseFluidReadWrite.read(path)`.
+
+**Automatic integration:** When `build_and_run()` detects an E300 file in the
+fluid section, it loads the fluid via `EclipseFluidReadWrite.read()` and passes
+it to `ProcessSystem.fromJsonAndRun(json, fluid)`, bypassing component name
+mapping entirely.
+
+```python
+# Example: Full E300 workflow
+reader = UniSimReader()
+model = reader.read(r'C:\path\to\model.usc')  # auto-exports E300 files
+
+# E300 files now available:
+for fp in model.fluid_packages:
+    print(f"  {fp.name}: {fp.e300_file_path}")
+
+# Convert to NeqSim and run — E300 fluid used automatically
+converter = UniSimToNeqSim(model)
+result = converter.build_and_run()
+```
+
 ---
 
 ## 2. Operation Type Mapping

AGENTS.md

@@ -693,7 +693,7 @@ ImpurityMonitor = jpype.JClass("neqsim.process.measurementdevice.ImpurityMonitor
 | `src/main/java/neqsim/process/processmodel/` | ProcessSystem, ProcessConnection, ProcessElementInterface, JsonProcessBuilder, SimulationResult |
 | `src/main/java/neqsim/process/automation/` | ProcessAutomation (string-addressable variable API), AutomationDiagnostics (fuzzy matching, auto-correction, physical validation, learning), SimulationVariable (INPUT/OUTPUT descriptor) |
 | `src/main/java/neqsim/process/processmodel/lifecycle/` | ProcessSystemState, ProcessModelState — JSON lifecycle snapshots, version comparison, compressed transfer |
-| `devtools/unisim_reader.py` | UniSim COM reader → NeqSim Python/notebook/EOT/JSON (UniSimReader, UniSimToNeqSim, UniSimComparator). 45+ op types, port-specific forward refs, auto-recycle wiring. Verified with TUTOR1.usc (11/13 streams match). |
+| `devtools/unisim_reader.py` | UniSim COM reader → NeqSim Python/notebook/EOT/JSON (UniSimReader, UniSimToNeqSim, UniSimComparator). 45+ op types, port-specific forward refs, auto-recycle wiring. **Default E300 fluid export**: `read(export_e300=True)` extracts Tc, Pc, omega, MW, BIPs from COM and writes E300 files for all fluid packages. `build_and_run()` auto-loads E300 fluids via `EclipseFluidReadWrite.read()` and `ProcessSystem.fromJsonAndRun(json, fluid)`. Verified with TUTOR1.usc (11/13 streams match). |
 | `devtools/test_unisim_outputs.py` | 14 tests for all UniSim converter output modes (no COM needed — synthetic models) |
 | `examples/notebooks/tutor1_gas_processing.ipynb` | End-to-end UniSim→NeqSim verification: TUTOR1 gas processing (7 comp, PR EOS, 13 ops). Reference for conversion workflows. |
 | `src/main/java/neqsim/process/mechanicaldesign/subsea/` | Well & SURF design, cost estimation |
@@ -749,7 +749,7 @@ Skills are reusable knowledge packages loaded automatically by agents:
 | `neqsim-subsea-and-wells` | Subsea systems, well design, SURF cost, tieback analysis |
 | `neqsim-production-optimization` | Decline curves, bottleneck analysis, gas lift, network optimization |
 | `neqsim-process-extraction` | Extract process data from text/tables/PFDs into NeqSim JSON builder format |
-| `neqsim-unisim-reader` | UniSim COM reader — component/EOS/operation mapping, topology reconstruction, forward refs, verification. Includes TUTOR1 verified reference case, DistillationColumn solver limitations for NGL-rich feeds, HeatExchanger UA tuning notes, separator 2-phase/3-phase auto-detection (flashtank with WaterProduct promoted to ThreePhaseSeparator), orientation detection (vertical → GasScrubber, horizontal → Separator), and entrainment extraction (liquid carryover, gas carry-under, water-in-oil, oil-in-water). |
+| `neqsim-unisim-reader` | UniSim COM reader — component/EOS/operation mapping, topology reconstruction, forward refs, verification. **Default E300 fluid export** for lossless transfer of critical properties (Tc, Pc, omega, MW, BIPs) including hypothetical/pseudo components. Includes TUTOR1 verified reference case, DistillationColumn solver limitations for NGL-rich feeds, HeatExchanger UA tuning notes, separator 2-phase/3-phase auto-detection (flashtank with WaterProduct promoted to ThreePhaseSeparator), orientation detection (vertical → GasScrubber, horizontal → Separator), and entrainment extraction (liquid carryover, gas carry-under, water-in-oil, oil-in-water). |
 | `neqsim-eos-regression` | EOS parameter regression — kij tuning, PVT matching (CME, CVD), C7+ characterization, scipy optimization |
 | `neqsim-reaction-engineering` | Reactor patterns — GibbsReactor, PlugFlowReactor, StirredTankReactor, KineticReaction, CatalystBed |
 | `neqsim-dynamic-simulation` | Dynamic simulation — runTransient, PID controllers, transmitters, tuning, depressurization |

CHANGELOG_AGENT_NOTES.md

@@ -9,6 +9,55 @@
 
 ---
 
+## 2026-07-08 — UniSim Reader: Default E300 Fluid Export
+
+### E300 is Now the Default Fluid Transfer Route
+
+When importing fluids from UniSim to NeqSim, the **E300 file route is now the
+default**. `UniSimReader.read(export_e300=True)` (the default) extracts critical
+properties (Tc, Pc, acentric factor, MW, BIPs, volume shifts) from each component
+via COM and writes an E300 file per fluid package.
+
+This preserves all thermodynamic characterization — including hypothetical/pseudo
+components like C7+ fractions — that component name mapping alone cannot capture.
+
+### New Java Overloads
+
+```java
+// Build and run with a pre-built fluid (e.g., from E300 file)
+ProcessSystem.fromJsonAndRun(String json, SystemInterface fluid)
+JsonProcessBuilder.buildAndRun(String json, SystemInterface fluid)
+```
+
+### Python Usage (Automatic)
+
+```python
+reader = UniSimReader()
+model = reader.read(r'C:\path\to\model.usc')  # auto-exports E300 files
+for fp in model.fluid_packages:
+    print(f"  {fp.name}: {fp.e300_file_path}")
+
+converter = UniSimToNeqSim(model)
+result = converter.build_and_run()  # auto-loads E300 fluid
+```
+
+### Python Usage (Manual E300 Loading)
+
+```python
+from neqsim import jneqsim
+EclipseFluidReadWrite = jneqsim.thermo.util.readwrite.EclipseFluidReadWrite
+fluid = EclipseFluidReadWrite.read(r'C:\path\to\model_FluidPkg.e300')
+```
+
+### Affected Files
+- `devtools/unisim_reader.py` — `UniSimComponent` (critical properties), `UniSimFluidPackage` (`write_e300()`, `has_critical_properties`), `_extract_fluid_packages()` (COM property extraction), `_extract_bips()` (new), `read()` (`export_e300` parameter), `_build_fluid_section()` (E300 path in fluid dict), `build_and_run()` (E300 auto-loading)
+- `src/main/java/neqsim/process/processmodel/JsonProcessBuilder.java` — `buildAndRun(String, SystemInterface)`, `buildFromJsonObject(JsonObject, SystemInterface)`
+- `src/main/java/neqsim/process/processmodel/ProcessSystem.java` — `fromJsonAndRun(String, SystemInterface)`
+- `.github/skills/neqsim-unisim-reader/SKILL.md` — E300 section added
+- `AGENTS.md` — Updated descriptions
+
+---
+
 ## 2026-07-08 — UniSim Reader: Orientation Detection (GasScrubber)
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