/** * CREB Reaction Kinetics Calculator * Core calculator for reaction kinetics analysis */ import { ReactionConditions, ArrheniusData, KineticsResult, TemperatureProfile, ReactionClass, CatalystData } from './types'; export declare class ReactionKinetics { private static readonly GAS_CONSTANT; private static readonly KELVIN_CELSIUS_OFFSET; /** * Calculate reaction rate constant using Arrhenius equation * k = A * exp(-Ea / (R * T)) */ static calculateRateConstant(arrhenius: ArrheniusData, temperature: number): number; /** * Calculate activation energy from rate constants at two temperatures * Ea = R * ln(k2/k1) / (1/T1 - 1/T2) */ static calculateActivationEnergy(k1: number, T1: number, k2: number, T2: number): number; /** * Generate temperature profile for reaction kinetics */ static generateTemperatureProfile(arrhenius: ArrheniusData, tempRange: [number, number], points?: number): TemperatureProfile[]; /** * Determine reaction class from chemical equation */ static classifyReaction(equation: string): ReactionClass; /** * Calculate half-life for first-order reactions * t₁/₂ = ln(2) / k */ static calculateHalfLife(rateConstant: number, order?: number): number; /** * Estimate pre-exponential factor using transition state theory * A ≈ (kB * T / h) * exp(ΔS‡ / R) */ static estimatePreExponentialFactor(temperature: number, entropyOfActivation?: number): number; /** * Apply catalyst effect to reaction kinetics */ static applyCatalystEffect(baseKinetics: Partial, catalyst: CatalystData): Partial; /** * Generate rate law expression */ static generateRateLaw(equation: string, orders: Record, rateConstant: number): string; /** * Comprehensive kinetics analysis */ static analyzeKinetics(equation: string, conditions: ReactionConditions, arrheniusData?: ArrheniusData): KineticsResult; /** * Estimate Arrhenius parameters for unknown reactions */ private static estimateArrheniusParameters; } //# sourceMappingURL=calculator.d.ts.map