금속 유기 골격체(MOF) 수소 포집 흡착 엔탈피 & 1,000Hz 0-Alloc C# 랭뮤어-프로이틀리히(LF) 압력 스윙(PSA) 서보 제어기

using System;
using System.Runtime.CompilerServices;
using System.Runtime.InteropServices;

namespace ZeliDesk.Defense.HydrogenEnergy
{
    /// <summary>
    /// MOF 수소 저장 캐니스터 압력 및 온도 센서 입력 프레임
    /// </summary>
    [StructLayout(LayoutKind.Sequential, Pack = 8)]
    public readonly struct MofCanisterSensorFrame
    {
        public readonly double TimestampSeconds;
        public readonly double TankPressureBar;       // 탱크 압력 (bar)
        public readonly double BedTemperatureKelvin;  // MOF 층 내부 온도 (K)
        public readonly double CoolantTemperatureK;   // 냉각수 온도 (K)
        public readonly double HydrogenFlowRateGPerS; // 수소 유입/유출 질량유량 (g/s)

        [MethodImpl(MethodImplOptions.AggressiveInlining)]
        public MofCanisterSensorFrame(double timestamp, double pressure, double bedTemp, double coolTemp, double flow)
        {
            TimestampSeconds = timestamp;
            TankPressureBar = pressure;
            BedTemperatureKelvin = bedTemp;
            CoolantTemperatureK = coolTemp;
            HydrogenFlowRateGPerS = flow;
        }
    }

    /// <summary>
    /// PSA 밸브 및 열교환기 냉각 펌프 지령 출력 프레임
    /// </summary>
    [StructLayout(LayoutKind.Sequential, Pack = 8)]
    public readonly struct MofControlOutput
    {
        public readonly double AdsorbedHydrogenGrams;  // 추정 수소 흡착량 (g)
        public readonly double AdsorptionHeatWatts;    // 순간 흡착열 방출 파워 (W)
        public readonly double PsaValveDutyCycle;      // PSA 전자 밸브 듀티비 (0.0 ~ 1.0)
        public readonly double CoolingPumpDutyCycle;   // 냉각 펌프 듀티비 (0.0 ~ 1.0)
        public readonly bool IsThermalRunawayRisk;     // 열폭주 위험 플래그

        [MethodImpl(MethodImplOptions.AggressiveInlining)]
        public MofControlOutput(double adsorbedH2, double heatWatts, double valveDuty, double pumpDuty, bool isRisk)
        {
            AdsorbedHydrogenGrams = adsorbedH2;
            AdsorptionHeatWatts = heatWatts;
            PsaValveDutyCycle = valveDuty;
            CoolingPumpDutyCycle = pumpDuty;
            IsThermalRunawayRisk = isRisk;
        }
    }

    /// <summary>
    /// 1,000Hz 0-Alloc C# MOF 수소 포집 랭뮤어-프로이틀리히 PSA 서보 제어기
    /// </summary>
    public ref struct MofHydrogenPsaServoEngine
    {
        private const double MofMassKg = 15.0;            // 탑재 MOF 펠릿 질량 (15kg)
        private const double QMaxMmolPerG = 28.5;         // 포화 흡착 용량 (mmol/g)
        private const double QstJoulesPerMol = 18500.0;   // 등량 흡착열 (18.5 kJ/mol)
        private const double GasConstantR = 8.314462618;  // 기체상수 J/(mol*K)
        private const double HydrogenMolarMass = 2.016e-3;// kg/mol

        // 제어 상태 변수
        private double _lastPressure;
        private double _lastTimestamp;
        private bool _isInitialized;

        [MethodImpl(MethodImplOptions.AggressiveInlining)]
        public void Initialize(double initialPressure)
        {
            _lastPressure = initialPressure;
            _lastTimestamp = 0.0;
            _isInitialized = true;
        }

        /// <summary>
        /// 1,000Hz(1ms 주기) 압력-온도 스트림 기반 PSA 밸브 및 냉각 서보 틱
        /// </summary>
        [MethodImpl(MethodImplOptions.AggressiveInlining)]
        public MofControlOutput ProcessTick(in MofCanisterSensorFrame frame)
        {
            if (!_isInitialized)
            {
                Initialize(frame.TankPressureBar);
            }

            double dt = frame.TimestampSeconds - _lastTimestamp;
            if (dt <= 0.0 || dt > 0.01) dt = 0.001; // 1ms 기본 주기
            _lastTimestamp = frame.TimestampSeconds;

            // 1. 온도 의존 친화도 b(T) 산출: b(T) = b0 * exp(Qst / (R*T))
            double b0 = 1.2e-4; // bar^-1
            double bT = b0 * Math.Exp(QstJoulesPerMol / (GasConstantR * frame.BedTemperatureKelvin));

            // 2. 랭뮤어-프로이틀리히 흡착량 q 산출 (불균일도 n=1.85)
            double n = 1.85;
            double pTerm = Math.Pow(Math.Max(bT * frame.TankPressureBar, 0.0), 1.0 / n);
            double qMmolPerG = QMaxMmolPerG * (pTerm / (1.0 + pTerm));

            // 총 저장된 수소 질량 (g)
            double totalMoles = (qMmolPerG * 1e-3) * (MofMassKg * 1000.0);
            double totalHydrogenGrams = totalMoles * (HydrogenMolarMass * 1000.0);

            // 3. 순간 흡착열 방출 파워 산출 (P = (dq/dt) * Qst)
            double dP = (frame.TankPressureBar - _lastPressure) / dt;
            _lastPressure = frame.TankPressureBar;
            double dMolesPerSec = (frame.HydrogenFlowRateGPerS / 1000.0) / HydrogenMolarMass;
            double heatWatts = Math.Max(dMolesPerSec * QstJoulesPerMol, 0.0);

            // 4. PSA 비례 밸브 및 냉각수 펌프 PWM 제어
            // 목표 압력 80 bar 유지
            double pressureError = 80.0 - frame.TankPressureBar;
            double valveDuty = Math.Clamp(0.5 + 0.02 * pressureError, 0.0, 1.0);

            // 침대 온도 상승 시 냉각 펌프 가속 (세트포인트 298K)
            double tempError = frame.BedTemperatureKelvin - 298.15;
            double pumpDuty = Math.Clamp(tempError / 30.0, 0.1, 1.0);

            // 5. 열폭주 위험 경보 (베드 온도 345K 이상 도달 시)
            bool isThermalRisk = frame.BedTemperatureKelvin > 345.0;

            return new MofControlOutput(
                adsorbedH2: totalHydrogenGrams,
                heatWatts: heatWatts,
                valveDuty: valveDuty,
                pumpDuty: pumpDuty,
                isRisk: isThermalRisk
            );
        }
    }
}