@driftengine/chemistry 3.61.0

package/src/library/metal.ts

@@ -0,0 +1,186 @@
+/**
+ * `@driftengine/chemistry/library/metal` — five metals, and the one number that decides most of it.
+ *
+ * **It is the emissivity, not the conductivity.** Polished copper's is 0.05 against oak's 0.90, and
+ * a radiative term is linear in it, so eighteen times less of the same fire arrives at the same
+ * distance. That is why a metal poker's handle stays cool beside a fire that chars a wooden one, and
+ * it is one field.
+ *
+ * **Three published heats of combustion fall out and none is stored**: magnesium 24.7 MJ/kg,
+ * aluminium 31.0, iron 7.4. What the table holds is the formation enthalpy of each oxide.
+ */
+import { KIND_CORROSION, type Reaction } from '../reaction/reaction.ts';
+import { SHAPE_CYLINDER, SHAPE_SLAB } from '../parcel/shells.ts';
+import { massFractions } from '../substance/composition.ts';
+import type { SubstanceThermal } from '../substance/substance.ts';
+import type { SubstanceLibrary } from './library.ts';
+import { COMMON_REACTIONS } from './common.ts';
+
+export const RUST_IRON = 'rust-iron';
+export const OXIDISE_ALUMINIUM = 'oxidise-aluminium';
+export const OXIDISE_COPPER = 'oxidise-copper';
+export const BURN_MAGNESIUM = 'burn-magnesium';
+
+const REACTIONS: readonly Reaction[] = [
+  ...COMMON_REACTIONS,
+  {
+    /*
+     * The slowest reaction in the model by orders of magnitude, back-derived from the measured
+     * atmospheric corrosion rate — roughly a percent of a kilogram bar in a year.
+     *
+     * **The humidity gate `§8.7` asks for is absent.** `ReactionGates` is temperature only, so
+     * nothing here reproduces the 60% relative humidity below which atmospheric rusting effectively
+     * stops, and a bar in a desert corrodes as fast as one in a bog. Fixing it means a gate on a
+     * species fraction, which is a change to `reaction/` rather than to this file.
+     */
+    id: RUST_IRON,
+    reactants: [
+      { species: 'Fe', moles: 4 },
+      { species: 'O2', moles: 3 },
+    ],
+    products: [{ species: 'Fe2O3', moles: 2 }],
+    kinetics: { type: 'arrhenius', A: 5.6e-4, activationEnergy: 35000 },
+    kind: KIND_CORROSION,
+  },
+  {
+    /*
+     * **Gated at the melting point, which is the honest proxy for passivation.** Aluminium releases
+     * 31 MJ/kg and does not burn, because its oxide is coherent and seals the surface — and the
+     * temperature at which that layer stops being coherent is the temperature at which the metal
+     * under it is no longer solid. `§8.7` wanted an oxide-thickness gate; this is a gate that gets
+     * the same two answers right, said out loud rather than left off.
+     */
+    id: OXIDISE_ALUMINIUM,
+    reactants: [
+      { species: 'Al', moles: 4 },
+      { species: 'O2', moles: 3 },
+    ],
+    products: [{ species: 'Al2O3', moles: 2 }],
+    kinetics: { type: 'arrhenius', A: 1e6, activationEnergy: 120000 },
+    kind: KIND_CORROSION,
+    gates: { minTemperature: 933.15, width: 10 },
+  },
+  {
+    /* Slower than iron and green rather than red, which is a `§17` decision and not one here. */
+    id: OXIDISE_COPPER,
+    reactants: [
+      { species: 'Cu', moles: 2 },
+      { species: 'O2', moles: 1 },
+    ],
+    products: [{ species: 'CuO', moles: 2 }],
+    kinetics: { type: 'arrhenius', A: 1e-4, activationEnergy: 45000 },
+    kind: KIND_CORROSION,
+  },
+  {
+    /*
+     * The one metal a fire can actually light. It ignites at 973 K, fifty kelvin above its own
+     * melting point and eight hundred below its boiling one — so it burns as a liquid, which is why
+     * a magnesium fire runs.
+     */
+    id: BURN_MAGNESIUM,
+    reactants: [
+      { species: 'Mg', moles: 2 },
+      { species: 'O2', moles: 1 },
+    ],
+    products: [{ species: 'MgO', moles: 2 }],
+    kinetics: { type: 'arrhenius', A: 1e8, activationEnergy: 100000 },
+    kind: KIND_CORROSION,
+    gates: { minTemperature: 973.15, width: 10 },
+  },
+];
+
+export const METAL: SubstanceLibrary = {
+  id: 'metal',
+  species: [],
+  reactions: REACTIONS,
+  substances: (species): readonly SubstanceThermal[] => [
+    {
+      id: 'iron',
+      composition: massFractions(species, { Fe: 1 }),
+      density: 7870,
+      conductivity: { k0: 80.4, k1: -0.03 },
+      shells: 3,
+      shape: SHAPE_CYLINDER,
+      /* Oxidised rather than polished, which is what iron actually is after a week outdoors. */
+      emissivity: 0.65,
+      reactions: [RUST_IRON],
+      appearance: {
+        albedo: [0.28, 0.22, 0.18],
+        charAlbedo: [0.28, 0.22, 0.18],
+        sootYield: 0,
+      },
+    },
+    {
+      /* A little carbon and a little silicon, which is what makes it steel and not iron. */
+      id: 'steel',
+      composition: massFractions(species, { Fe: 0.98, 'C(graphite)': 0.008, SiO2: 0.012 }),
+      density: 7850,
+      conductivity: { k0: 45, k1: -0.02 },
+      shells: 3,
+      shape: SHAPE_SLAB,
+      emissivity: 0.28,
+      reactions: [RUST_IRON],
+      appearance: {
+        albedo: [0.56, 0.57, 0.58],
+        charAlbedo: [0.56, 0.57, 0.58],
+        sootYield: 0,
+      },
+    },
+    {
+      id: 'aluminium',
+      composition: massFractions(species, { Al: 1 }),
+      density: 2700,
+      conductivity: { k0: 237, k1: -0.04 },
+      shells: 3,
+      shape: SHAPE_SLAB,
+      emissivity: 0.09,
+      reactions: [OXIDISE_ALUMINIUM],
+      appearance: {
+        albedo: [0.91, 0.92, 0.92],
+        charAlbedo: [0.91, 0.92, 0.92],
+        sootYield: 0,
+      },
+    },
+    {
+      id: 'copper',
+      composition: massFractions(species, { Cu: 1 }),
+      density: 8960,
+      conductivity: { k0: 401, k1: -0.07 },
+      shells: 3,
+      shape: SHAPE_CYLINDER,
+      emissivity: 0.05,
+      reactions: [OXIDISE_COPPER],
+      appearance: {
+        albedo: [0.95, 0.64, 0.54],
+        charAlbedo: [0.2, 0.34, 0.28],
+        sootYield: 0,
+      },
+    },
+    {
+      id: 'magnesium',
+      composition: massFractions(species, { Mg: 1 }),
+      density: 1740,
+      conductivity: { k0: 156, k1: -0.02 },
+      shells: 3,
+      shape: SHAPE_CYLINDER,
+      emissivity: 0.13,
+      reactions: [BURN_MAGNESIUM],
+      /*
+       * A metal that genuinely catches, and the two temperatures are far apart from everything else
+       * in the library. Its flame is also the one water makes worse, which falls out of the
+       * enthalpy: 24.7 MJ/kg is enough to take the oxygen back out of steam.
+       */
+      ignition: {
+        pilotedSurfaceK: 973,
+        autoSurfaceK: 1023,
+        criticalMassFlux: 0.02,
+        limitingOxygen: 0.05,
+      },
+      appearance: {
+        albedo: [0.78, 0.78, 0.76],
+        charAlbedo: [0.9, 0.9, 0.88],
+        sootYield: 0,
+      },
+    },
+  ],
+};

package/src/library/mineral.ts

@@ -0,0 +1,194 @@
+/**
+ * `@driftengine/chemistry/library/mineral` — stone, board, sand and glass.
+ *
+ * **Two reactions, and both matter for the same reason: they are endothermic and they release gas.**
+ * Gypsum gives up two waters at 120 °C, which is why plasterboard is a fire barrier. Limestone gives
+ * up carbon dioxide at 825 °C, which is why stone spalls in a fire and why a concrete wall in a
+ * serious one loses its surface explosively.
+ *
+ * Both enthalpies are Hess's law over the standard table and neither is written down: +179.2 kJ/mol
+ * for calcination against a published +178.3, and +104.4 for gypsum against a published +104.
+ */
+import { KIND_CALCINATION, type Reaction } from '../reaction/reaction.ts';
+import { SHAPE_SLAB } from '../parcel/shells.ts';
+import { massFractions } from '../substance/composition.ts';
+import { wetComposition } from '../substance/substance.ts';
+import type { SubstanceThermal } from '../substance/substance.ts';
+import type { SubstanceLibrary } from './library.ts';
+import { BOIL_WATER, COMMON_REACTIONS } from './common.ts';
+
+export const CALCINE_LIMESTONE = 'calcine-limestone';
+export const DEHYDRATE_GYPSUM = 'dehydrate-gypsum';
+
+const REACTIONS: readonly Reaction[] = [
+  ...COMMON_REACTIONS,
+  {
+    /* Onset near 825 °C at one atmosphere. Endothermic and gas-releasing, so a limestone block in a
+       fire is both a heat sink and, eventually, a thing that comes apart. */
+    id: CALCINE_LIMESTONE,
+    reactants: [{ species: 'CaCO3', moles: 1 }],
+    products: [
+      { species: 'CaO', moles: 1 },
+      { species: 'CO2', moles: 1 },
+    ],
+    kinetics: { type: 'arrhenius', A: 1e8, activationEnergy: 190000 },
+    kind: KIND_CALCINATION,
+    gates: { minTemperature: 1098.15, width: 20 },
+  },
+  {
+    /*
+     * **The same idea four hundred degrees lower, and it is what a fire-rated wall is.** A kilogram
+     * of board holds 607 kJ of latent heat in two waters of crystallisation, and it will not let the
+     * far side past the boiling point until every one of them has gone.
+     */
+    id: DEHYDRATE_GYPSUM,
+    reactants: [{ species: 'gypsum', moles: 1 }],
+    products: [
+      { species: 'anhydrite', moles: 1 },
+      { species: 'H2O(g)', moles: 2 },
+    ],
+    kinetics: { type: 'arrhenius', A: 1e6, activationEnergy: 80000 },
+    kind: KIND_CALCINATION,
+    gates: { minTemperature: 393.15, width: 20 },
+  },
+];
+
+export const MINERAL: SubstanceLibrary = {
+  id: 'mineral',
+  species: [],
+  reactions: REACTIONS,
+  substances: (species): readonly SubstanceThermal[] => [
+    {
+      id: 'limestone',
+      composition: massFractions(species, { CaCO3: 1 }),
+      density: 2700,
+      conductivity: { k0: 2.2, k1: -0.0005 },
+      shells: 4,
+      shape: SHAPE_SLAB,
+      emissivity: 0.93,
+      reactions: [CALCINE_LIMESTONE],
+      appearance: {
+        albedo: [0.68, 0.66, 0.6],
+        charAlbedo: [0.68, 0.66, 0.6],
+        sootYield: 0,
+      },
+    },
+    {
+      /* Light, because it is foamed, and thermally poor — which together with the dehydration is the
+         whole of its fire rating. */
+      id: 'gypsum-board',
+      composition: wetComposition(
+        species,
+        massFractions(species, {
+          gypsum: 0.95,
+          SiO2: 0.05,
+        }),
+        0.01,
+      ),
+      density: 700,
+      conductivity: { k0: 0.25, k1: 0.0002 },
+      shells: 4,
+      shape: SHAPE_SLAB,
+      porosity: 0.3,
+      emissivity: 0.9,
+      reactions: [BOIL_WATER, DEHYDRATE_GYPSUM],
+      appearance: {
+        albedo: [0.82, 0.81, 0.78],
+        charAlbedo: [0.82, 0.81, 0.78],
+        sootYield: 0,
+      },
+    },
+    {
+      id: 'sand',
+      composition: massFractions(species, { SiO2: 1 }),
+      density: 1600,
+      conductivity: { k0: 0.3, k1: 0.0003 },
+      shells: 3,
+      shape: SHAPE_SLAB,
+      porosity: 0.4,
+      emissivity: 0.9,
+      /* No reactions, which is why throwing it on a fire works: it is a blanket and a heat sink. */
+      appearance: {
+        albedo: [0.6, 0.52, 0.36],
+        charAlbedo: [0.6, 0.52, 0.36],
+        sootYield: 0,
+      },
+    },
+    {
+      /* Fifteen percent water, and it is the water that makes wet clay near a fire crack. */
+      id: 'clay',
+      composition: wetComposition(
+        species,
+        massFractions(species, {
+          SiO2: 0.55,
+          Al2O3: 0.4,
+          Fe2O3: 0.05,
+        }),
+        0.15,
+      ),
+      density: 1700,
+      conductivity: { k0: 1.0, k1: 0.0002 },
+      shells: 4,
+      shape: SHAPE_SLAB,
+      porosity: 0.25,
+      emissivity: 0.91,
+      reactions: [BOIL_WATER],
+      appearance: {
+        albedo: [0.48, 0.34, 0.24],
+        charAlbedo: [0.48, 0.34, 0.24],
+        sootYield: 0,
+      },
+    },
+    {
+      /*
+       * **Spalls for two reasons at once and gets both by being declared.** Free water flashing to
+       * steam inside a matrix that cannot vent it, and then the limestone in the aggregate calcining
+       * and releasing carbon dioxide in the same place.
+       */
+      id: 'concrete',
+      composition: wetComposition(
+        species,
+        massFractions(species, {
+          SiO2: 0.62,
+          CaCO3: 0.2,
+          Al2O3: 0.1,
+          CaO: 0.05,
+          Fe2O3: 0.03,
+        }),
+        0.04,
+      ),
+      density: 2300,
+      conductivity: { k0: 1.7, k1: -0.0003 },
+      shells: 4,
+      shape: SHAPE_SLAB,
+      porosity: 0.12,
+      emissivity: 0.92,
+      reactions: [BOIL_WATER, CALCINE_LIMESTONE],
+      appearance: {
+        albedo: [0.52, 0.52, 0.5],
+        charAlbedo: [0.52, 0.52, 0.5],
+        sootYield: 0,
+      },
+    },
+    {
+      /*
+       * **Nothing at all, and that is the point of it.** Glass in a fire gets hot, conducts,
+       * radiates and eventually softens — and softening is mechanical, which `§26` refuses in
+       * writing because this package owns no solver. A chemistry invented so the entry would not
+       * look empty would be worse than the empty entry.
+       */
+      id: 'glass',
+      composition: massFractions(species, { SiO2: 0.8, CaO: 0.13, Al2O3: 0.07 }),
+      density: 2500,
+      conductivity: { k0: 1.0, k1: 0.0005 },
+      shells: 3,
+      shape: SHAPE_SLAB,
+      emissivity: 0.94,
+      appearance: {
+        albedo: [0.1, 0.12, 0.11],
+        charAlbedo: [0.1, 0.12, 0.11],
+        sootYield: 0,
+      },
+    },
+  ],
+};