feat(materials): v0.3.1 refresh — +10 industry-current presets (additive)

Additive-only update. No existing preset or dataclass field modified, no
existing test changed. Baseline 98 → 101 tests green.

Added:
- Membranes (+3): Gore-Select M820 (reinforced 18 µm), Nafion XL
  (reinforced 27.5 µm), Aquivion R79-02S (short-side-chain, 50 µm)
- Anode catalysts (+3): Ir-black (Rozain 2016), IrOx-ATO (Sb-doped SnO2),
  Heraeus H2EL-IrO (commercial 2023)
- Cathode catalysts (+2): Pt/C ultra-low 0.05 mg/cm², PtRu/C startup-tolerant
- GDL/PTL (+2): Ti sintered powder (Mott 0.25 mm), Au-coated Ti sintered

Rationale: audit found v0.3 presets were research-era; commercial 2023-2025
EC-stacks use ePTFE-reinforced membranes and low-loading Ir catalysts.
New presets added alongside existing ones to preserve reproducibility.

Refs: Goswami 2023 JPS 578, Rozain 2016 ACS Catal. 6, Bernt 2020 JES 167,
Liu 2022 Nat. Catal. 5, Tao 2024 SusMat, RSC Energy Adv. 2026 D5YA00274E.

Author: Tools00

CHANGELOG.md

@@ -11,6 +11,37 @@ Format: [Keep a Changelog](https://keepachangelog.com/en/1.1.0/) · SemVer.
 - Vergleichs-Modus (2 Zellen/Stacks nebeneinander)
 - 2. Validation gegen experimentelle Paper-Kurve
 
+## [0.3.1] — 2026-04-20
+
+### Added
+- **Materials refresh** (`src/materials.py`) — 10 neue Presets, rein additiv
+  (keine bestehenden Presets oder Felder geändert, keine Tests gebrochen):
+  - **Membranen (+3):**
+    - Gore-Select M820 (reinforced, 18 μm) — ePTFE-verstärkt,
+      Industrie-Standard moderner EC-Stacks
+    - Nafion XL (reinforced, 27.5 μm) — ePTFE-verstärkte Nafion-Variante
+    - Aquivion R79-02S (50 μm, EW 790) — Short-side-chain PFSA
+  - **Anoden-Katalysatoren (+3):**
+    - Ir-black (Rozain 2016, 0.5 mg/cm²) — Low-loading Referenz
+    - IrOx-ATO (Sb-doped SnO₂ Support, 0.3 mg/cm²) — moderner Ersatz für IrO₂-TiO₂
+    - Heraeus H2EL-IrO (commercial 2023, 0.6 mg/cm²) — reduzierter Ir-Einsatz
+  - **Kathoden-Katalysatoren (+2):**
+    - Pt/C ultra-low (0.05 mg/cm²) — HER nicht PGM-limitiert
+    - PtRu/C (startup-tolerant, 0.15 mg/cm²) — SU/SD-robust
+  - **GDLs/PTLs (+2, anodenseitig):**
+    - Ti sintered powder (Mott, 0.25 mm) — kommerzieller Sinter-PTL
+    - Au-coated Ti sintered (0.25 mm) — Au-Coating schlägt Pt in Langzeit
+- **3 neue Tests** (total 101, alle grün): presence + basic sanity der neuen Presets
+
+### References
+- Goswami et al. (2023) J. Power Sources 578 — Gore M820
+- Rozain et al. (2016) ACS Catal. 6(3), 1949–1957 — Ir-black low-loading
+- Oh et al. (2016) JACS 138; Liu et al. (2022) Nat. Catal. 5 — IrOx-ATO
+- Bernt et al. (2020) J. Electrochem. Soc. 167 — Pt/C ultra-low
+- Gazdzicki et al. (2020) Appl. Catal. B 265 — PtRu/C SU/SD
+- Tao et al. (2024) SusMat; Liu et al. (2018) JES 165(13);
+  RSC Energy Advances (2026) D5YA00274E — Ti sintered PTL, Au-coating
+
 ## [0.3.0] — 2026-04-20
 
 ### Added
@@ -126,7 +157,8 @@ Format: [Keep a Changelog](https://keepachangelog.com/en/1.1.0/) · SemVer.
 - Keine Multi-phase Flow
 - Nur 1 Validation-Datensatz (analytisch, noch nicht gegen Experiment)
 
-[Unreleased]: https://github.com/Tools00/pem-ec-designer/compare/v0.3.0...HEAD
+[Unreleased]: https://github.com/Tools00/pem-ec-designer/compare/v0.3.1...HEAD
+[0.3.1]: https://github.com/Tools00/pem-ec-designer/compare/v0.3.0...v0.3.1
 [0.3.0]: https://github.com/Tools00/pem-ec-designer/compare/v0.2.0...v0.3.0
 [0.2.0]: https://github.com/Tools00/pem-ec-designer/compare/v0.1.0...v0.2.0
 [0.1.0]: https://github.com/Tools00/pem-ec-designer/releases/tag/v0.1.0

src/materials.py

@@ -90,6 +90,33 @@ class MembraneSpec:
         ref="FumaTech Datasheet (2020)",
         valid_temp_k=(298.15, 373.15),
     ),
+    "Gore-Select M820 (reinforced)": MembraneSpec(
+        name="Gore-Select M820 (reinforced)",
+        thickness_m=18e-6,
+        conductivity_sm=10.0,
+        water_uptake=22.0,
+        ewt_g_mol=800.0,
+        ref="W. L. Gore PEM Water Electrolysis Datasheet (2024); Goswami et al. (2023) J. Power Sources 578 — ePTFE-reinforced, industrial EC-stack standard",
+        valid_temp_k=(298.15, 363.15),
+    ),
+    "Nafion XL (reinforced)": MembraneSpec(
+        name="Nafion XL (reinforced)",
+        thickness_m=27.5e-6,
+        conductivity_sm=9.0,
+        water_uptake=22.0,
+        ewt_g_mol=1100.0,
+        ref="Chemours Nafion XL Datasheet (2023); Shi et al. (2016) J. Membrane Sci. 517 — ePTFE-reinforced variant",
+        valid_temp_k=(298.15, 363.15),
+    ),
+    "Aquivion R79-02S": MembraneSpec(
+        name="Aquivion R79-02S",
+        thickness_m=50e-6,
+        conductivity_sm=15.0,
+        water_uptake=20.0,
+        ewt_g_mol=790.0,
+        ref="Solvay Specialty Polymers Datasheet (2021); Skulimowska et al. (2014) IJHE 39 — short-side-chain PFSA, next-gen",
+        valid_temp_k=(298.15, 393.15),
+    ),
 }
 
 
@@ -148,6 +175,33 @@ class CatalystSpec:
         activation_energy_j_mol=56_000.0,
         ref="Siracusano et al. (2017), Appl. Catal. B 219; E_a: support-stabilized IrO₂",
     ),
+    "Ir-black (Rozain 2016)": CatalystSpec(
+        name="Ir-black (Rozain 2016)",
+        side="anode",
+        j0_a_m2=20.0,
+        alpha=0.5,
+        loading_mg_cm2=0.5,
+        activation_energy_j_mol=55_000.0,
+        ref="Rozain et al. (2016) ACS Catal. 6(3), 1949–1957 — unsupported Ir, low-loading reference",
+    ),
+    "IrOx-ATO (Sb-doped SnO2 support)": CatalystSpec(
+        name="IrOx-ATO (Sb-doped SnO2 support)",
+        side="anode",
+        j0_a_m2=15.0,
+        alpha=0.5,
+        loading_mg_cm2=0.3,
+        activation_energy_j_mol=58_000.0,
+        ref="Oh et al. (2016) JACS 138, 12552; Liu et al. (2022) Nat. Catal. 5 — replaces IrO2-TiO2 as modern support",
+    ),
+    "Heraeus H2EL-IrO (commercial 2023)": CatalystSpec(
+        name="Heraeus H2EL-IrO (commercial 2023)",
+        side="anode",
+        j0_a_m2=30.0,
+        alpha=0.5,
+        loading_mg_cm2=0.6,
+        activation_energy_j_mol=53_000.0,
+        ref="Heraeus Precious Metals Product Release (2023) — reduced-Ir commercial catalyst, ~0.3 gIr/kW",
+    ),
 }
 
 
@@ -179,6 +233,24 @@ class CatalystSpec:
         activation_energy_j_mol=22_000.0,
         ref="Huang et al. (2015), Science 348(6240); E_a: Pt-alloy HER",
     ),
+    "Pt/C ultra-low (0.05 mg/cm²)": CatalystSpec(
+        name="Pt/C ultra-low (0.05 mg/cm²)",
+        side="cathode",
+        j0_a_m2=0.9e3,
+        alpha=0.5,
+        loading_mg_cm2=0.05,
+        activation_energy_j_mol=25_000.0,
+        ref="Bernt et al. (2020) J. Electrochem. Soc. 167 — HER is not PGM-limited, loading can drop 10×",
+    ),
+    "PtRu/C (startup-tolerant)": CatalystSpec(
+        name="PtRu/C (startup-tolerant)",
+        side="cathode",
+        j0_a_m2=1.2e3,
+        alpha=0.5,
+        loading_mg_cm2=0.15,
+        activation_energy_j_mol=23_000.0,
+        ref="Gazdzicki et al. (2020) Appl. Catal. B 265 — reverse-current robustness at SU/SD",
+    ),
 }
 
 
@@ -214,6 +286,22 @@ class GDLSpec:
         thickness_m=0.5e-3,
         ref="Lettenmeier et al. (2016), Energy Environ. Sci. 9(8)",
     ),
+    "Ti sintered powder (Mott, 0.25 mm)": GDLSpec(
+        name="Ti sintered powder (Mott, 0.25 mm)",
+        side="anode",
+        r_specific_ohm_m2=8e-6,
+        porosity=0.4,
+        thickness_m=0.25e-3,
+        ref="Mott Corp. PTL Datasheet (2023); Tao et al. (2024) SusMat — sintered Ti powder, IFC ~80 mΩ·cm² uncoated",
+    ),
+    "Au-coated Ti sintered (0.25 mm)": GDLSpec(
+        name="Au-coated Ti sintered (0.25 mm)",
+        side="anode",
+        r_specific_ohm_m2=5e-7,
+        porosity=0.4,
+        thickness_m=0.25e-3,
+        ref="Liu et al. (2018) JES 165(13); RSC Energy Advances (2026) D5YA00274E — Au coating outperforms Pt for long-term durability",
+    ),
 }
 
 GDL_CATHODE: dict[str, GDLSpec] = {

tests/test_materials.py

@@ -85,3 +85,41 @@ def test_name_helpers_return_nonempty_lists():
 
 def test_membrane_names_match_dict_keys():
     assert set(membrane_names()) == set(MEMBRANES.keys())
+
+
+# ---------------- v0.3.1 additive presets ---------------- #
+
+
+def test_v031_new_membranes_present():
+    for name in (
+        "Gore-Select M820 (reinforced)",
+        "Nafion XL (reinforced)",
+        "Aquivion R79-02S",
+    ):
+        assert name in MEMBRANES, f"missing v0.3.1 membrane: {name}"
+        m = MEMBRANES[name]
+        assert m.thickness_m > 0 and m.conductivity_sm > 0
+        assert m.ref, f"{name}: reference required"
+
+
+def test_v031_new_catalysts_present():
+    for name in (
+        "Ir-black (Rozain 2016)",
+        "IrOx-ATO (Sb-doped SnO2 support)",
+        "Heraeus H2EL-IrO (commercial 2023)",
+    ):
+        assert name in CATALYSTS_ANODE, f"missing v0.3.1 anode catalyst: {name}"
+        assert CATALYSTS_ANODE[name].activation_energy_j_mol > 0
+    for name in ("Pt/C ultra-low (0.05 mg/cm\u00b2)", "PtRu/C (startup-tolerant)"):
+        assert name in CATALYSTS_CATHODE, f"missing v0.3.1 cathode catalyst: {name}"
+        assert CATALYSTS_CATHODE[name].activation_energy_j_mol > 0
+
+
+def test_v031_new_gdls_present():
+    for name in (
+        "Ti sintered powder (Mott, 0.25 mm)",
+        "Au-coated Ti sintered (0.25 mm)",
+    ):
+        assert name in GDL_ANODE, f"missing v0.3.1 anode GDL: {name}"
+        g = GDL_ANODE[name]
+        assert g.thickness_m > 0 and 0 < g.porosity < 1