# @ferret/physics-chemistry: API reactions with rate laws in well-stirred vessels, heat of reaction, pressure, venting. 85 exports. Generated from the source (`packages/physics-chemistry/src`), so it matches the code. ## Classes ### Chemistry *class* · `packages/physics-chemistry/src/chem.ts:215` ```ts class Chemistry ``` - `readonly species: SpeciesLibrary` - `readonly reactions: Map` - `method: 'trapezoid' | 'euler' | undefined` — The integrator of the vessels: `trapezoid` (second order, adaptive, for burns) or `euler` (implicit Euler with a relative-change step limit: first order but L-stable, for the stiff ionic equilibria of solutions). Left undefined, each vessel picks: `euler` when a reaction that can run in it involves an ion, `trapezoid` otherwise. - `constructor(species: SpeciesLibrary = new SpeciesLibrary())` - `add(name: string, r: ReactionDef): this` — Add a reaction, as an object or as an equation: `add('burn', 'CH4 + 2 O2 -> CO2 + 2 H2O', { A: 1e7, Ea: 100e3 })`. An equation must be balanced as written (use `balanceEquation` to find the coefficients); `<=>` makes it reversible. - `add(name: string, equation: string, params: ReactionParams): this` — Add a reaction, as an object or as an equation: `add('burn', 'CH4 + 2 O2 -> CO2 + 2 H2O', { A: 1e7, Ea: 100e3 })`. An equation must be balanced as written (use `balanceEquation` to find the coefficients); `<=>` makes it reversible. - `add(name: string, r: ReactionDef | string, params?: ReactionParams): this` — Add a reaction, as an object or as an equation: `add('burn', 'CH4 + 2 O2 -> CO2 + 2 H2O', { A: 1e7, Ea: 100e3 })`. An equation must be balanced as written (use `balanceEquation` to find the coefficients); `<=>` makes it reversible. - `remove(name: string): boolean` — Take a reaction out. - `reactionFromEquation(equation: string, params: ReactionParams): ReactionDef` — The reaction an equation says (species resolved through the library by name or formula); the rate parameters come from `params`. - `balanceEquation(equation: string): { reactants: Record; products: Record; reversible: boolean; equation: string }` — The smallest whole coefficients that balance an equation written without them (or with wrong ones): `C3H8 + O2 -> CO2 + H2O` gives 1, 5, 3, 4. Species may be library names or any formula. Refuses what cannot be balanced or is not fixed; never applied to `add`. - `formatEquation(r: Pick): string` — The text of a reaction: `CH4 + 2 O2 → CO2 + 2 H2O` (species by their names in the library). - `balance(r: ReactionDef): string[]` — Atoms and charge that do not balance, as messages (empty when the reaction is balanced). - `nu(r: ReactionDef): Map` — Signed coefficients: negative for reactants. - `dH(r: ReactionDef, T = T_REF): number` — Reaction enthalpy at T, J/mol of reaction. - `dS(r: ReactionDef, T = T_REF): number` - `dG(r: ReactionDef, T = T_REF): number` — Standard Gibbs energy of the reaction at T, J/mol. - `K(r: ReactionDef, T = T_REF): number` — Equilibrium constant in activities (gas: p/p°, solute: c/c°, pure solids and liquids: 1). ### EquationError *class* · `packages/physics-chemistry/src/equation.ts:12` ```ts class EquationError extends Error ``` - `constructor(readonly equation: string, message: string)` ### FormulaError *class* · `packages/physics-chemistry/src/formula.ts:13` ```ts class FormulaError extends Error ``` - `constructor(readonly text: string, readonly position: number, message: string)` ### SpeciesLibrary *class* · `packages/physics-chemistry/src/chem.ts:97` ```ts class SpeciesLibrary ``` - `readonly loaded: Set` — Sets loaded so far, by name. - `constructor(initial: Record | string[] = EXAMPLE_SPECIES)` - `loadSet(set: string, keepExisting = false): this` — Add the species of a standard set (a species already here is replaced by the set's: the later load wins; with `keepExisting` it stays). - `add(name: string, s: SpeciesInput)` — Add a species. Its atoms come from its `formula`, or from `atoms`, or from its name when that is a formula (`{ phase: 'g', ... }` under the key `NH3`). When more than one is given they must agree. An ion's `cp` may be negative (a partial molar value); every other phase needs one above zero. - `find(formula: string, phase?: Phase): string | undefined` — The name of the species with this formula (`"H2O(l)"`, `"NH4+"`), or undefined. A phase in the text or given narrows the search; an exact name wins. - `remove(name: string): boolean` — Take a species out of the library (reactions and vessels that use it must be dealt with first). - `get(name: string): SpeciesDef` - `has(name: string)` - `names()` - `molarMass(name: string): number` — kg/mol ### Vessel *class* · `packages/physics-chemistry/src/chem.ts:367` ```ts class Vessel ``` - `readonly name: string` - `readonly chem: Chemistry` - `volume: number` - `liquidVolume: number` - `T: number` - `hA: number` - `Tenv: number` - `wallC: number` - `isothermal: boolean` - `holdPressure?: number` — Pa; when set the gas volume follows n R T / p and the energy balance is on the enthalpy - `amounts: Map` - `extent: Map` — extent of each reaction so far, mol - `lost: number` — heat the surroundings took, J (negative = in) - `dTdt: number` — the largest temperature rise rate over the accepted sub-steps of the last step, K/s (never negative; not the average, so it does not depend on the step length) - `runaway?: number` - `ignition?: number` - `burstPressure?: number` - `entity?: string` - `position?: [number, number, number]` - `method?: 'trapezoid' | 'euler'` — the integrator of this vessel; the chemistry's choice, or the automatic one (see `Chemistry.method`), when missing - `settled: boolean` - `tolerance: number` - `maxSubsteps: number` - `constructor(chem: Chemistry, o: VesselOptions)` - `add(species: string, mol: number)` - `remove(species: string, mol: number)` - `amount(species: string)` - `get mass(): number` — kg - `get pressure(): number` — Pa - `get capacity(): number` — Heat capacity of the contents (constant volume for gases), J/K. - `get U(): number` — Internal energy of the contents and the wall, relative to the elements at T_REF, J. - `get pH(): number | undefined` — pH of the solution: -log10 of the H+ concentration (mol/L, ideal dilute solution: no activity coefficients), or undefined when the vessel holds no H+ species or none of it. - `atoms(el: string): number` — Atoms of an element in the vessel (conserved). - `rates(n: number[], T: number): number[]` — The rate of every reaction (mol/s of reaction) at the amounts and temperature given. - `react(dt: number): StepStats` — Advance dt seconds with adaptive sub-steps (implicit trapezoid, step doubling for the error). - `setEnergy(U: number)` — Set the temperature at which the contents hold the internal energy `U` (bisection; the energy rises with the temperature). - `vent(to: Vessel, dt: number, o: { area: number; Cd?: number; length?: number; friction?: number }): number` — Gas through an orifice into another vessel for `dt` seconds: choked above the critical pressure ratio, subsonic below, with the mixture's own gamma and molar mass. The gas leaves carrying its enthalpy, so the vessel it leaves cools as it blows down and the one it enters is heated by it; the internal energy of the two together is kept exactly. A `length` (with a Darcy `friction` factor, 0.02 by default) makes it a pipe: the same flow law with the pipe's losses. Returns the moles moved (negative when the flow runs backwards). - `pour(to: Vessel, fraction: number)` — Move a fraction of the contents (amounts and the heat they carry) into another vessel: a pipe that carries species. ## Functions ### ACIDS_BASES_SET *function* · `packages/physics-chemistry/src/sets/aqueous.ts:78` ```ts function ACIDS_BASES_SET: () => Record ``` ### addAqueousReactions *function* · `packages/physics-chemistry/src/sets/aqueous.ts:127` ```ts function addAqueousReactions(chem: Chemistry, o: AqueousOptions = {}): string[] ``` Add the water equilibrium, the acid and base dissociations (water, strong acids and bases, acetic acid, ammonium, the carbonate and phosphate systems) and the solubility of the salts, for every reaction whose species are all in the library. The rate constants are game-grade (fast enough that a solution is at equilibrium within milliseconds); the positions of the equilibria follow exactly from the species data. A vessel in which an ion can appear is integrated with the stiff method (`Chemistry.method`). Returns the names added. ### addFlameEquilibria *function* · `packages/physics-chemistry/src/sets/index.ts:45` ```ts function addFlameEquilibria(c: { add(name: string, eq: string, p: { A: number; Ea: number }): unknown; species: SpeciesLibrary; reactions: Map; dH(r: ReactionDef, T?: number): number }): void ``` The dissociations and the nitric oxide equilibrium that hold a real flame below its ideal temperature: H2O to H2 and OH, CO2 to CO, H2 and O2 to atoms, N2 + O2 to NO. Fast and reversible (they sit at equilibrium in a flame); their position is exact from the species data. Needs the `core` and `combustion` sets. ### addPhaseChanges *function* · `packages/physics-chemistry/src/sets/phases.ts:67` ```ts function addPhaseChanges(chem: Chemistry, o: PhaseOptions = {}): string[] ``` Add the melting and boiling of the substances of the library as fast reversible reactions `melt-X` (`X(s) <=> X(l)`) and `boil-X` (`X(l) <=> X(g)`). The phases the library does not hold are made from the data; one it holds is corrected only where its entropy puts the change more than half a kelvin from the tabulated temperature (the gas of a substance is never touched). Returns the names added. ### addStandardReactions *function* · `packages/physics-chemistry/src/sets/families.ts:183` ```ts function addStandardReactions(chem: Chemistry, o: StandardReactionOptions = {}): string[] ``` Add the library reactions whose species are all loaded; returns their names. A game's own reaction with the same name stays. ### airMoles *function* · `packages/physics-chemistry/src/sets/index.ts:38` ```ts function airMoles(total: number): Record ``` ### AQUEOUS_SET *function* · `packages/physics-chemistry/src/sets/aqueous.ts:66` ```ts function AQUEOUS_SET: () => Record ``` ### chemistry *function* · `packages/physics-chemistry/src/index.ts:50` ```ts function chemistry(chem: Chemistry = new Chemistry()): ChemistryCapability ``` ### COMBUSTION_SET *function* · `packages/physics-chemistry/src/sets/index.ts:26` ```ts function COMBUSTION_SET: () => Record ``` ### CORE_SET *function* · `packages/physics-chemistry/src/sets/index.ts:19` ```ts function CORE_SET: () => Record ``` ### cpAt *function* · `packages/physics-chemistry/src/chem.ts:68` ```ts function cpAt: (d: SpeciesDef, T: number) => number ``` cp at T, and the enthalpy and entropy gained from T_REF to T, of one species. ### dHs *function* · `packages/physics-chemistry/src/chem.ts:69` ```ts function dHs: (d: SpeciesDef, T: number) => number ``` ### dissolvedName *function* · `packages/physics-chemistry/src/sets/aqueous.ts:161` ```ts function dissolvedName: (gas: string) => string ``` The aqueous species a dissolved gas becomes (`CO2` to `CO2(aq)`), when the library has one. ### dSs *function* · `packages/physics-chemistry/src/chem.ts:70` ```ts function dSs: (d: SpeciesDef, T: number) => number ``` ### ENERGETICS_SET *function* · `packages/physics-chemistry/src/sets/families.ts:93` ```ts function ENERGETICS_SET: () => Record ``` ### findGas *function* · `packages/physics-chemistry/src/gases.ts:41` ```ts function findGas(formula: string): GasData | undefined ``` the data of a gas by formula; `undefined` when the library holds no such gas ### formatFormula *function* · `packages/physics-chemistry/src/formula.ts:116` ```ts function formatFormula(atoms: Record, charge = 0): string ``` The canonical text of a composition: Hill order (C, then H, then alphabetical; alphabetical when there is no C), then the charge (`^2-`, `+`). ### formulaMass *function* · `packages/physics-chemistry/src/formula.ts:126` ```ts function formulaMass(atoms: Record): number ``` g/mol of a composition. ### fuelHeat *function* · `packages/physics-chemistry/src/gases.ts:84` ```ts function fuelHeat(fuel: string, lib: SpeciesLibrary = gasLibrary()): { Q: number; oxygenPerFuel: number; molarMass: number } ``` The heat of burning a fuel, from the reaction enthalpy of the library: C to CO2 and H to H2O (vapour: the lower heating value), per kg of fuel, and the kg of oxygen it takes. The fuel is any species of the library made of C, H and O (`CH4`, `C3H8`, `C2H5OH(l)`, `C8H18(l)`, `H2`). ### gasLibrary *function* · `packages/physics-chemistry/src/gases.ts:33` ```ts function gasLibrary(): SpeciesLibrary ``` ### gasNames *function* · `packages/physics-chemistry/src/gases.ts:38` ```ts function gasNames(): string[] ``` every gas formula the library holds (and the old name `steam`) ### gasOf *function* · `packages/physics-chemistry/src/gases.ts:64` ```ts function gasOf(formula: string, where = 'pneumatics'): GasData ``` the data of a gas, or an error that names the gases there are ### HALOGENS_SET *function* · `packages/physics-chemistry/src/sets/families.ts:44` ```ts function HALOGENS_SET: () => Record ``` ### henryConstant *function* · `packages/physics-chemistry/src/sets/aqueous.ts:156` ```ts function henryConstant(gas: string, T = T_REF): number ``` Henry's constant of a gas in water at T, mol/(m³·Pa); 0 when the table does not hold the gas. ### METALS_SET *function* · `packages/physics-chemistry/src/sets/families.ts:56` ```ts function METALS_SET: () => Record ``` ### methaneFlame *function* · `packages/physics-chemistry/src/chem.ts:86` ```ts function methaneFlame(c: { add(name: string, r: ReactionDef): unknown }, dissociation = true) ``` Add to a chemistry the burning of methane and the two dissociations of its products (fast and reversible, so at equilibrium in a flame). ### mixtureProps *function* · `packages/physics-chemistry/src/gases.ts:71` ```ts function mixtureProps(mix: string | Record, T = 293.15): { molarMass: number; cp: number; gamma: number } ``` Molar mass, cp and gamma of a gas mixture (mole fractions; a formula alone is a pure gas) at T. ### nasaCp *function* · `packages/physics-chemistry/src/chem.ts:47` ```ts function nasaCp(n: Nasa7, T: number): number ``` cp, J/(mol·K), at T (held at its end value beyond the range) ### nasaH *function* · `packages/physics-chemistry/src/chem.ts:52` ```ts function nasaH(n: Nasa7, T: number): number ``` absolute enthalpy H(T), J/mol (formation enthalpy included; linear in T beyond the range) ### nasaS *function* · `packages/physics-chemistry/src/chem.ts:58` ```ts function nasaS(n: Nasa7, T: number): number ``` absolute entropy S(T), J/(mol·K) at the standard pressure ### NITROGEN_SET *function* · `packages/physics-chemistry/src/sets/families.ts:30` ```ts function NITROGEN_SET: () => Record ``` ### NOBLE_SET *function* · `packages/physics-chemistry/src/sets/families.ts:197` ```ts function NOBLE_SET: () => Record ``` The noble gases that are not in the GRI table: monatomic ideal gases (cp = 5/2 R, S from the Sackur-Tetrode values at 298.15 K). ### ORGANICS_SET *function* · `packages/physics-chemistry/src/sets/families.ts:84` ```ts function ORGANICS_SET: () => Record ``` ### parseEquation *function* · `packages/physics-chemistry/src/equation.ts:19` ```ts function parseEquation(eq: string): ParsedEquation ``` Split an equation into its terms. The species tokens are not resolved here. ### parseFormula *function* · `packages/physics-chemistry/src/formula.ts:26` ```ts function parseFormula(input: string): ParsedFormula ``` Parse a formula with an optional charge and phase. `e-` is the electron: no atoms, charge -1. ### registerSpeciesSet *function* · `packages/physics-chemistry/src/chem.ts:95` ```ts function registerSpeciesSet(name: string, make: () => Record): void ``` ### SULFUR_SET *function* · `packages/physics-chemistry/src/sets/families.ts:37` ```ts function SULFUR_SET: () => Record ``` ### useGasLibrary *function* · `packages/physics-chemistry/src/gases.ts:35` ```ts function useGasLibrary(lib: SpeciesLibrary | undefined) ``` use another library for every gas (clears what was looked up) ### waterMoles *function* · `packages/physics-chemistry/src/sets/aqueous.ts:23` ```ts function waterMoles: (volume: number) => number ``` Moles of liquid water in a volume (m³) at 25 °C (997 kg/m³). ## Interfaces ### AqueousOptions *interface* · `packages/physics-chemistry/src/sets/aqueous.ts:114` ```ts interface AqueousOptions ``` - `recombination?: number` — m³/(mol·s): the rate constant of the recombination of ions (the diffusion-limited order of magnitude is 1e8); the dissociation rate follows from K - `dissolution?: number` — mol/(m³·s): how fast a solid dissolves while it is present and the solution is far from saturated (a game-grade value) ### ChemistryCapability *interface* · `packages/physics-chemistry/src/index.ts:40` ```ts interface ChemistryCapability extends Capability ``` - `readonly chemistry: Chemistry` - `readonly vessels: Map` - `addVessel(name: string, o: VesselOptions): Vessel` - `thresholds(name: string): Thresholds` — The values that decide this vessel's events, with the scope each comes from (for tuning). - `check(): string[]` — Atom, mass and charge-free audit: a list of problems with the reactions of the library (empty when sound). ### Element *interface* · `packages/physics-chemistry/src/elements.ts:6` ```ts interface Element ``` The periodic table: all 118 elements with their IUPAC standard atomic weights (abridged), and for an element without a stable isotope the mass number of its longest-lived isotope (`approx: true`). The eighteen elements the library knew before keep the values it always used, so no molar mass in the engine moves. It is one table, so `@ferret/physics-nuclear` may read the same symbols. - `number: number` - `symbol: string` - `name: string` - `mass: number` - `approx?: boolean` ### EquationTerm *interface* · `packages/physics-chemistry/src/equation.ts:9` ```ts interface EquationTerm ``` - `coefficient: number` - `token: string` ### GasData *interface* · `packages/physics-chemistry/src/gases.ts:14` ```ts interface GasData ``` - `readonly name: string` — the library's name - `readonly molarMass: number` — kg/mol - `cp(T: number): number` — cp(T), J/(mol·K) - `cv(T: number): number` — cv(T) = cp − R - `u(T: number): number` — internal energy of a mole, J/mol: cv(T0)·T0 plus the integral of cv from T0 (for a constant cv exactly cv·T) - `h(T: number): number` — enthalpy of a mole carried by a flow, u + R·T - `gamma(T: number): number` — cp/cv at T - `s(T: number): number` — entropy gained from T_REF at constant pressure, J/(mol·K) ### Nasa7 *interface* · `packages/physics-chemistry/src/chem.ts:43` ```ts interface Nasa7 ``` NASA 7-coefficient polynomials: `low` from Tmin to Tmid, `high` from Tmid to Tmax. Outside the range cp stays at its end value. - `Tmin: number` - `Tmid: number` - `Tmax: number` - `low: number[]` - `high: number[]` ### ParsedEquation *interface* · `packages/physics-chemistry/src/equation.ts:10` ```ts interface ParsedEquation ``` - `reactants: EquationTerm[]` - `products: EquationTerm[]` - `reversible: boolean` ### ParsedFormula *interface* · `packages/physics-chemistry/src/formula.ts:11` ```ts interface ParsedFormula ``` - `atoms: Record` - `charge: number` - `phase?: FormulaPhase` ### PhaseOptions *interface* · `packages/physics-chemistry/src/sets/phases.ts:39` ```ts interface PhaseOptions ``` - `substances?: string[]` — the substances (keys of `PHASE_DATA`) to add; every one whose condensed phase is in the library by default - `rate?: number` — mol/(m³·s): the rate constant of the change, fast against anything a game heats (default 1e5) - `liquidReactions?: boolean` — also copy every reaction that burns or consumes a solid as a reaction of its liquid (`lithium-water~Li(l)`), default true - `data?: Record` — extra or replacement data by substance ### PhaseSubstance *interface* · `packages/physics-chemistry/src/sets/phases.ts:10` ```ts interface PhaseSubstance ``` - `s?: string` — names of the phases in the library (made when missing) - `l?: string` - `g?: string` - `Tm?: number` — melting: temperature K and enthalpy J/mol, at 1 bar - `Hfus?: number` - `Tb?: number` — boiling: temperature K at 1 bar and enthalpy J/mol - `Hvap?: number` - `cpl?: number` — heat capacity J/(mol·K) of the liquid and the vapour that are made (the solid's, and 5/2 R for a monatomic vapour, when missing) - `cpg?: number` ### Reaction *interface* · `packages/physics-chemistry/src/chem.ts:213` ```ts interface Reaction extends ReactionDef ``` - `name: string` ### ReactionDef *interface* · `packages/physics-chemistry/src/chem.ts:191` ```ts interface ReactionDef ``` - `reactants: Record` — stoichiometric coefficients, positive - `products: Record` - `A: number` — rate k = A·exp(−Ea / R T), in mol, m³ and s for the concentrations in the rate law - `Ea: number` - `orders?: Record` — reaction orders by reactant (the stoichiometric coefficients when missing; give {} for zero order) - `reversible?: boolean` — runs both ways and settles at the equilibrium of ΔG - `phase?: 'gas' | 'solution'` — which volume the rate is per: the gas of the vessel or its solution - `stiff?: boolean` — a fast equilibrium (a phase change): the vessel integrates it with the stiff method - `catalysts?: Array<{ species: string; delta: number; minimum?: number }>` — species that speed it up by lowering Ea by `delta` J/mol while present (not consumed) ### SpeciesDef *interface* · `packages/physics-chemistry/src/chem.ts:23` ```ts interface SpeciesDef ``` - `atoms: Record` — atoms by element - `phase: Phase` - `Hf: number` — standard enthalpy of formation, J/mol, and standard entropy, J/(mol·K) - `S?: number` - `cp: number` — molar heat capacity at constant pressure, J/(mol·K), at 298 K - `cpT?: [number, number]` — cp rising with temperature, cp(T) = a + b·T (J/(mol·K)): what keeps a flame from running far too hot; constant `cp` when missing - `charge?: number` — charge, for ions (atoms and charge are both balanced) - `nasa?: Nasa7` — NASA 7-coefficient polynomials in two ranges (cp, H and S for the whole range; used instead of `cpT` and `cp` when present) - `formula?: string` — the canonical formula (Hill order, with the charge), filled in when the species is added ### StandardReaction *interface* · `packages/physics-chemistry/src/sets/families.ts:111` ```ts interface StandardReaction extends ReactionParams ``` - `name: string` - `equation: string` - `family: 'combustion' | 'nitrogen' | 'sulfur' | 'halogens' | 'metals' | 'energetics' | 'catalysis'` — family, for `addStandardReactions(chem, { families })` - `dH: number` — the tabulated heat of reaction at 298.15 K, kJ per mole of the reaction as written (CRC / NBS tables; the published heat of explosion for the energetics) - `note: string` — where the rate parameters come from and how far to trust them ### StandardReactionOptions *interface* · `packages/physics-chemistry/src/sets/families.ts:175` ```ts interface StandardReactionOptions ``` - `families?: StandardReaction['family'][]` — only these families (all by default) - `skip?: string[]` — names that are not added ### StepStats *interface* · `packages/physics-chemistry/src/chem.ts:365` ```ts interface StepStats ``` - `substeps: number` - `rejected: number` - `extent: Record` ### VesselEntry *interface* · `packages/physics-chemistry/src/index.ts:39` ```ts interface VesselEntry ``` - `vessel: Vessel` - `burstPressure?: number` - `burst: boolean` - `hot: boolean` - `lit: boolean` ### VesselOptions *interface* · `packages/physics-chemistry/src/chem.ts:337` ```ts interface VesselOptions ``` - `name?: string` - `volume: number` — m³ of gas space - `liquidVolume?: number` — m³ of solution (defaults to the gas volume) - `T?: number` - `contents?: Record` - `hA?: number` — heat exchange with the surroundings: h·A in W/K, and their temperature - `Tenv?: number` - `wallC?: number` — J/K of vessel material that warms with the contents - `isothermal?: boolean` — hold the temperature (an isothermal reactor) - `pressure?: number` — Pa: let the gas space move (a piston or an open top) so that the pressure stays here; the expansion work goes to the surroundings. `volume` is the start value. - `runaway?: number` — thresholds of this vessel alone (they beat every scope of the capability): thermal runaway and ignition rise rates, K/s, and the bursting pressure, Pa - `ignition?: number` - `burstPressure?: number` - `entity?: string` — the entity the vessel belongs to (its scope: entity and zone values of the capability), and where it stands when it has no entity - `position?: [number, number, number]` - `method?: 'trapezoid' | 'euler'` — integrator: see `Chemistry.method` ## Types ### FormulaPhase *type* · `packages/physics-chemistry/src/formula.ts:10` ```ts type FormulaPhase = 'g' | 'l' | 's' | 'aq' ``` ### Phase *type* · `packages/physics-chemistry/src/chem.ts:21` ```ts type Phase = 'g' | 'l' | 's' | 'aq' ``` ### ReactionParams *type* · `packages/physics-chemistry/src/chem.ts:211` ```ts type ReactionParams = Omit ``` The rate parameters that go with an equation. ### SpeciesInput *type* · `packages/physics-chemistry/src/chem.ts:65` ```ts type SpeciesInput = Omit & { atoms?: Record; phase?: Phase } ``` What `SpeciesLibrary.add` takes: the atoms, or a `formula` they follow from (or neither, when the name itself is a formula). ### ThresholdKey *type* · `packages/physics-chemistry/src/index.ts:35` ```ts type ThresholdKey = 'runaway' | 'ignition' | 'burstPressure' ``` ### Thresholds *type* · `packages/physics-chemistry/src/index.ts:37` ```ts type Thresholds = Record ``` ### ThresholdScope *type* · `packages/physics-chemistry/src/index.ts:36` ```ts type ThresholdScope = 'vessel' | 'entity' | 'zone' | 'level' | 'world' | 'default' ``` ## Constants ### AIR *const* · `packages/physics-chemistry/src/sets/index.ts:37` ```ts const AIR: Readonly> ``` Dry air by moles: the mixture helper of the core set. Multiply by the total moles. ### ATOMIC_MASS *const* · `packages/physics-chemistry/src/elements.ts:34` ```ts const ATOMIC_MASS: Record ``` g/mol by symbol ### C_STANDARD *const* · `packages/physics-chemistry/src/chem.ts:10` ```ts const C_STANDARD: 1000 ``` standard concentration of a solute, mol/m³ (1 mol/L) ### CHEMISTRY_DEFAULTS *const* · `packages/physics-chemistry/src/index.ts:33` ```ts const CHEMISTRY_DEFAULTS: { runaway: number; ignition: number; } ``` chemical reactions. Vessels are well-stirred reactors stepped with the world: the species react by their rate laws, the heat of reaction changes the temperature, and the gas moles give the pressure. values, narrowest first (a vessel's own value, then the scopes of `host.config('chemistry')`: entity, zone, level, world, then the defaults): runaway temperature rise rate that counts as a thermal runaway, K/s (50) ignition temperature rise rate that counts as ignition, K/s (1000) burstPressure Pa; a vessel bursts at this pressure (none) A vessel's own values are set in `addVessel` or by `vessel.set`. Its scope comes from its `entity` (the entity's own values and, from the entity's position, the zone it stands in) or, with no entity, from its `position`. The rise rate is the peak over the sub-steps of the world step, so the events do not depend on the step length. The level's `physics.chemistry` block may also carry the library of that level (applied when the level loads, undone when it goes): sets names of standard species sets to load (a species the game already has stays as it is) species { name: { formula?, phase?, Hf, S?, cp, ... } } added, replacing a species of the same name for the life of the level reactions { name: { equation, A, Ea, ... } or { reactants, products, A, Ea, ... } } aqueous true or { recombination?, dissolution? }: `addAqueousReactions` standard true or a list of families: `addStandardReactions` phases true or { substances?, rate?, liquidReactions? }: `addPhaseChanges` (melting and boiling as fast reversible reactions; after `standard`) The editor writes it with `edit.chemistry.*`. events: `chem:ignite` { name, T, rate }, `chem:runaway` { name, T, rate }, `chem:equilibrium` { name }, `chem:burst` { name, pressure }; each also carries `entity` when the vessel has one. ### ELEMENTS *const* · `packages/physics-chemistry/src/elements.ts:26` ```ts const ELEMENTS: readonly Element[] ``` ### EXAMPLE_SPECIES *const* · `packages/physics-chemistry/src/chem.ts:169` ```ts const EXAMPLE_SPECIES: Record ``` ### FLAME_SPECIES *const* · `packages/physics-chemistry/src/chem.ts:76` ```ts const FLAME_SPECIES: Record ``` The gases of a flame with cp rising with temperature (a + b·T fitted to the JANAF values at 298 K and 1500 K, within a few percent to 2500 K), and carbon monoxide, so a flame can dissociate (CO2 ⇌ CO + ½O2, H2O ⇌ H2 + ½O2) and land near a real flame's temperature. ### HENRY_WATER *const* · `packages/physics-chemistry/src/sets/aqueous.ts:150` ```ts const HENRY_WATER: Record ``` Henry's law: the dissolved amount at equilibrium is `k·p` per m³ of water, mol/(m³·Pa) at 298.15 K, with `k(T) = k298·exp(C·(1/T − 1/298.15))` (Sander, 2015 compilation; C = −ΔH_solution/R in K). The constant belongs to the gas and the solvent; the pneumatic `Dissolver` and the aqueous vessel read the same table, and a dissolved gas that reacts (CO2 to carbonic acid, then the pH) is the same amount in both. ### P_STANDARD *const* · `packages/physics-chemistry/src/chem.ts:8` ```ts const P_STANDARD: 100000 ``` ### PHASE_DATA *const* · `packages/physics-chemistry/src/sets/phases.ts:22` ```ts const PHASE_DATA: Record ``` Melting and boiling data of common substances (CRC Handbook; the heats are per mole at the transition). Key: the formula without a phase. ### R_GAS *const* · `packages/physics-chemistry/src/chem.ts:6` ```ts const R_GAS: 8.314462618 ``` Species, reactions and well-stirred vessels. A reaction moves amounts between species by a rate law; the heat of reaction comes from the formation enthalpies and the heat capacities, and the temperature follows from the conservation of internal energy, so atoms, mass and energy are conserved by construction and checked by `check`. ### SOLID_EPS *const* · `packages/physics-chemistry/src/chem.ts:12` ```ts const SOLID_EPS: 1e-12 ``` a pure solid or liquid counts as present (activity 1) once its amount is well above this many moles, and as absent well below it ### SOLUBLE_SOLIDS *const* · `packages/physics-chemistry/src/sets/aqueous.ts:56` ```ts const SOLUBLE_SOLIDS: Record ``` The solids that dissolve and precipitate (NBS standard values). ### SPECIES_SETS *const* · `packages/physics-chemistry/src/chem.ts:94` ```ts const SPECIES_SETS: Map Record> ``` The standard sets of species: name -> a function making the table; a set module registers itself. ### STANDARD_REACTIONS *const* · `packages/physics-chemistry/src/sets/families.ts:126` ```ts const STANDARD_REACTIONS: StandardReaction[] ``` The reaction library. Every entry balances, has a tabulated heat of reaction and is added when all its species are loaded. ### T_REF *const* · `packages/physics-chemistry/src/chem.ts:7` ```ts const T_REF: 298.15 ```