对齐Amesim氦气PR物性与PNVO流量

app/simulation/components/amesim/flow/orifices.py

@@ -206,9 +206,13 @@ class AmesimPnor001(AlgebraicComponent):
 
     def _upstream_temperature(self, port_name: str) -> float:
         port = self.get_port(port_name)
-        if port.h_outflow > 0.0:
-            return max(self.medium.temperature_from_enthalpy(port.h_outflow), 1.0)
-        return self.medium.T_ref
+        return max(
+            self.medium.temperature_from_pressure_enthalpy(
+                max(port.p, 1.0),
+                port.h_outflow,
+            ),
+            1.0,
+        )
 
     def mass_flow(self, p_1: float, p_2: float) -> float:
         if p_1 == p_2 or self.effective_area == 0.0:
@@ -461,6 +465,7 @@ class AmesimPnvo001FixedOpening(AlgebraicComponent):
         self.port_2.h_outflow = initial_h
         self.port_3 = self.register_declared_port("port_3")
         self.port_3.h_outflow = initial_h
+        self._connected_h: dict[str, float] = {}
 
     @staticmethod
     def _integer_parameter(name: str, value: float) -> int:
@@ -507,9 +512,16 @@ class AmesimPnvo001FixedOpening(AlgebraicComponent):
 
     def _upstream_temperature(self, port_name: str) -> float:
         port = self.get_port(port_name)
-        if port.h_outflow > 0.0:
-            return max(self.medium.temperature_from_enthalpy(port.h_outflow), 1.0)
-        return self.medium.T_ref
+        # A component port's h_outflow describes fluid leaving the valve; the
+        # upstream state comes from the connection on that same physical side.
+        inlet_h = self._connected_h.get(port_name, port.h_outflow)
+        return max(
+            self.medium.temperature_from_pressure_enthalpy(
+                max(port.p, 1.0),
+                inlet_h,
+            ),
+            1.0,
+        )
 
     def mass_flow(self, p_2: float, p_3: float) -> float:
         if p_2 == p_3 or self.effective_area == 0.0:
@@ -526,6 +538,64 @@ class AmesimPnvo001FixedOpening(AlgebraicComponent):
             upstream_temperature=self._upstream_temperature("port_3"),
         )
 
+    def _one_way_flow_characteristics(
+        self,
+        *,
+        upstream_pressure: float,
+        downstream_pressure: float,
+        upstream_temperature: float,
+    ) -> tuple[float, float]:
+        p_up = max(upstream_pressure, 1.0)
+        p_down = max(min(downstream_pressure, p_up), 0.0)
+        T_up = max(upstream_temperature, 1.0)
+        gamma_s = self.medium.isentropic_density_pressure_factor(
+            p_up,
+            T_up,
+            p_down,
+        )
+        gamma_s = min(max(gamma_s, 1.0e-9), 1.0 - 1.0e-9)
+        density = max(self.medium.density(p_up, T_up), 1.0e-12)
+        pressure_ratio = max(p_down / p_up, 0.0)
+        critical_ratio = (2.0 * gamma_s / (gamma_s + 1.0)) ** (
+            1.0 / (1.0 - gamma_s)
+        )
+        if pressure_ratio <= critical_ratio:
+            mass_flow_parameter = (
+                sqrt(2.0 / (1.0 + gamma_s) * density * T_up / p_up)
+                * (2.0 * gamma_s / (gamma_s + 1.0))
+                ** (gamma_s / (1.0 - gamma_s))
+            )
+            gas_velocity = sqrt(
+                2.0 / (1.0 + gamma_s) * p_up / density
+            )
+        else:
+            expansion = (
+                pressure_ratio ** (2.0 * gamma_s)
+                - pressure_ratio ** (1.0 + gamma_s)
+            )
+            mass_flow_parameter = sqrt(
+                max(
+                    2.0
+                    / (1.0 - gamma_s)
+                    * density
+                    * T_up
+                    / p_up
+                    * expansion,
+                    0.0,
+                )
+            )
+            gas_velocity = sqrt(
+                max(
+                    2.0
+                    / (1.0 - gamma_s)
+                    * p_up
+                    / density
+                    * (1.0 - pressure_ratio ** (1.0 - gamma_s)),
+                    0.0,
+                )
+            )
+        return mass_flow_parameter, gas_velocity
+
     def _one_way_mass_flow(
         self,
         *,
@@ -534,44 +604,45 @@ class AmesimPnvo001FixedOpening(AlgebraicComponent):
         upstream_temperature: float,
     ) -> float:
         p_up = max(upstream_pressure, 1.0)
-        p_down = max(min(downstream_pressure, p_up), 0.0)
         T_up = max(upstream_temperature, 1.0)
-        gamma = max(self.medium.gamma, 1.000001)
-        pressure_ratio = max(p_down / p_up, 0.0)
-        critical_ratio = (2.0 / (gamma + 1.0)) ** (gamma / (gamma - 1.0))
-        if pressure_ratio <= critical_ratio:
-            flow_factor = sqrt(gamma / (self.medium.R_gas * T_up)) * (
-                2.0 / (gamma + 1.0)
-            ) ** ((gamma + 1.0) / (2.0 * (gamma - 1.0)))
-        else:
-            expansion = pressure_ratio ** (2.0 / gamma) - pressure_ratio ** (
-                (gamma + 1.0) / gamma
+        mass_flow_parameter, _gas_velocity = self._one_way_flow_characteristics(
+            upstream_pressure=p_up,
+            downstream_pressure=downstream_pressure,
+            upstream_temperature=T_up,
         )
-            flow_factor = sqrt(
-                max(
-                    2.0
-                    * gamma
-                    * expansion
-                    / (self.medium.R_gas * T_up * (gamma - 1.0)),
-                    0.0,
+        return (
+            self.effective_cq
+            * self.effective_area
+            * p_up
+            * mass_flow_parameter
+            / sqrt(T_up)
         )
-            )
-        return self.effective_cq * self.effective_area * p_up * flow_factor
 
     def component_result_values(self) -> Mapping[str, float]:
         p_2 = max(self.port_2.p, 1.0)
         p_3 = max(self.port_3.p, 1.0)
-        m_flow = abs(self.mass_flow(self.port_2.p, self.port_3.p))
-        upstream_pressure = max(p_2, p_3)
+        if p_2 >= p_3:
+            upstream_port_name = "port_2"
+            upstream_pressure = p_2
+            downstream_pressure = p_3
+            flow_direction = 1.0
+        else:
+            upstream_port_name = "port_3"
+            upstream_pressure = p_3
+            downstream_pressure = p_2
+            flow_direction = -1.0
         upstream_temperature = self._upstream_temperature(
-            "port_2" if p_2 >= p_3 else "port_3"
+            upstream_port_name
+        )
+        mass_flow_parameter, gas_velocity = self._one_way_flow_characteristics(
+            upstream_pressure=upstream_pressure,
+            downstream_pressure=downstream_pressure,
+            upstream_temperature=upstream_temperature,
         )
-        density = max(self.medium.density(upstream_pressure, upstream_temperature), 1.0e-12)
-        area = max(self.effective_area, 1.0e-18)
         return {
             "xv": self.opening,
-            "cm": m_flow / (self.effective_cq * area * upstream_pressure),
-            "gasvel": m_flow / (density * area),
+            "cm": mass_flow_parameter,
+            "gasvel": flow_direction * gas_velocity,
         }
 
     def pressure_flow_equation_residuals(self) -> tuple[EquationResidual, ...]:
@@ -605,6 +676,7 @@ class AmesimPnvo001FixedOpening(AlgebraicComponent):
         )
 
     def update_stream_outflows(self, connected_h: Mapping[str, float]) -> None:
+        self._connected_h = dict(connected_h)
         self.port_2.h_outflow = connected_h["port_3"]
         self.port_3.h_outflow = connected_h["port_2"]
 
@@ -684,6 +756,7 @@ class AmesimPnvo001SignalOpening(AmesimPnvo001FixedOpening):
         self.port_2.h_outflow = initial_h
         self.port_3 = self.register_declared_port("port_3")
         self.port_3.h_outflow = initial_h
+        self._connected_h: dict[str, float] = {}
 
     @classmethod
     def create(

app/simulation/components/amesim/flow/pipes.py

@@ -164,9 +164,13 @@ class AmesimPnl00r(AlgebraicComponent):
 
     def _port_temperature(self, port_name: str) -> float:
         port = self.get_port(port_name)
-        if port.h_outflow > 0.0:
-            return max(self.medium.temperature_from_enthalpy(port.h_outflow), 1.0)
-        return self.medium.T_ref
+        return max(
+            self.medium.temperature_from_pressure_enthalpy(
+                max(port.p, 1.0),
+                port.h_outflow,
+            ),
+            1.0,
+        )
 
     def _dynamic_viscosity(self, temperature_k: float) -> float:
         return self.medium.dynamic_viscosity(temperature_k)
@@ -494,9 +498,9 @@ class AmesimPnl0001(ThermodynamicVolumeComponent):
         self.volume = self.area * self.le
         self.exchange_area = pi * self.diam * self.le
         m0 = medium.density(self.p0, self.T0) * self.volume
-        U0 = m0 * medium.specific_internal_energy(self.T0)
+        U0 = m0 * medium.specific_internal_energy_at_pressure(self.p0, self.T0)
         self.state = VolumeState(m=m0, U=U0)
-        initial_h = medium.specific_enthalpy(self.T0)
+        initial_h = medium.specific_enthalpy_at_pressure(self.p0, self.T0)
         self.port_1 = self.register_declared_port("port_1")
         self.port_1.p = self.p0
         self.port_1.h_outflow = initial_h
@@ -978,8 +982,8 @@ class AmesimPnl0003(DynamicComponent):
         self.exchange_area = pi * self.diam * self.le
         self.state_1 = self._initial_state(float(p1_0), float(T1_0))
         self.state_2 = self._initial_state(float(p2_0), float(T2_0))
-        h1 = medium.specific_enthalpy(float(T1_0))
-        h2 = medium.specific_enthalpy(float(T2_0))
+        h1 = medium.specific_enthalpy_at_pressure(float(p1_0), float(T1_0))
+        h2 = medium.specific_enthalpy_at_pressure(float(p2_0), float(T2_0))
         self.port_1 = self.register_declared_port("port_1")
         self.port_1.p = float(p1_0)
         self.port_1.h_outflow = h1
@@ -999,7 +1003,13 @@ class AmesimPnl0003(DynamicComponent):
 
     def _initial_state(self, pressure: float, temperature: float) -> VolumeState:
         mass = self.medium.density(pressure, temperature) * self.compliance_volume
-        return VolumeState(m=mass, U=mass * self.medium.specific_internal_energy(temperature))
+        return VolumeState(
+            m=mass,
+            U=mass * self.medium.specific_internal_energy_at_pressure(
+                pressure,
+                temperature,
+            ),
+        )
 
     def get_state_vector(self) -> list[float]:
         return [*self.state_1.as_vector(), *self.state_2.as_vector()]

app/simulation/components/amesim/media/mediums.py

@@ -4,7 +4,11 @@ from collections.abc import Callable
 from dataclasses import dataclass
 from typing import ClassVar
 
-from app.simulation.core.medium import GasMedium, IdealGasMedium
+from app.simulation.core.medium import (
+    GasMedium,
+    IdealGasMedium,
+    ThermodynamicProperties,
+)
 from app.simulation.core.peng_robinson import HELIUM_PR, PengRobinsonFluid
 
 
@@ -36,18 +40,19 @@ class AmesimHeliumPengRobinsonMedium(IdealGasMedium):
     """AMESim helium with a Peng-Robinson mechanical equation of state.
 
     The pressure-density-temperature relation is evaluated by the shared
-    ``HELIUM_PR`` fluid.  The first public AMESim port keeps the committed
-    constant-heat-capacity caloric model so it can be consumed through the
-    same :class:`GasMedium` contract as ideal-gas air.
+    ``HELIUM_PR`` fluid.  The caloric reference follows the constant NASA
+    polynomial from Simcenter Amesim 2404 ``helium_cp_h_s.data``.
     """
 
     SUBSTANCE_ID: ClassVar[str] = "helium"
     PROPERTY_METHOD_ID: ClassVar[str] = "peng_robinson"
     fluid: ClassVar[PengRobinsonFluid] = HELIUM_PR
+    nasa_cp_over_R: ClassVar[float] = 2.5
+    nasa_enthalpy_constant_K: ClassVar[float] = -745.375
 
     name: str = "AMESimHeliumPengRobinson"
     R_gas: float = HELIUM_PR.specific_gas_constant
-    cp_ref: float = 5193.0
+    cp_ref: float = nasa_cp_over_R * HELIUM_PR.specific_gas_constant
     T_ref: float = 293.15
     cp_slope: float = 0.0
     viscosity_ref: float = 1.96e-5
@@ -56,7 +61,7 @@ class AmesimHeliumPengRobinsonMedium(IdealGasMedium):
 
     @property
     def cv(self) -> float:
-        return 3116.0
+        return (self.nasa_cp_over_R - 1.0) * self.R_gas
 
     def cv_at_temperature(self, T: float) -> float:
         del T
@@ -65,11 +70,201 @@ class AmesimHeliumPengRobinsonMedium(IdealGasMedium):
     def density(self, p: float, T: float) -> float:
         return self.fluid.density(p, T)
 
+    def _real_heat_capacities(
+        self,
+        p: float,
+        T: float,
+    ) -> tuple[float, float, float, float, float]:
+        density = self.density(p, T)
+        pressure_density_derivative = (
+            self.fluid.pressure_density_derivative_at_temperature(
+                T,
+                density,
+            )
+        )
+        pressure_temperature_derivative = (
+            self.fluid.pressure_temperature_derivative_at_density(
+                T,
+                density,
+            )
+        )
+        cv = (
+            self.cv_at_temperature(T)
+            + self.fluid.residual_isochoric_heat_capacity_at_density(T, density)
+        )
+        cp = (
+            cv
+            + T
+            * pressure_temperature_derivative
+            * pressure_temperature_derivative
+            / (density * density * pressure_density_derivative)
+        )
+        if cp <= 0.0 or cv <= 0.0:
+            raise ValueError("Real-gas heat capacities must be positive.")
+        return (
+            cp,
+            cv,
+            density,
+            pressure_density_derivative,
+            pressure_temperature_derivative,
+        )
+
+    def _local_isentropic_density_pressure_factor(
+        self,
+        p: float,
+        T: float,
+    ) -> tuple[float, float]:
+        cp, cv, density, pressure_density_derivative, pressure_temperature_derivative = (
+            self._real_heat_capacities(p, T)
+        )
+        heat_capacity_ratio = cp / cv
+        factor = p / (
+            density * pressure_density_derivative * heat_capacity_ratio
+        )
+        exponent = (
+            p
+            * (heat_capacity_ratio - 1.0)
+            / (
+                heat_capacity_ratio
+                * T
+                * pressure_temperature_derivative
+            )
+        )
+        return factor, exponent
+
+    def isentropic_density_pressure_factor(
+        self,
+        p: float,
+        T: float,
+        downstream_pressure: float | None = None,
+    ) -> float:
+        upstream_factor, isentropic_temperature_exponent = (
+            self._local_isentropic_density_pressure_factor(p, T)
+        )
+        if downstream_pressure is None or downstream_pressure >= p:
+            return upstream_factor
+
+        pressure_ratio = max(downstream_pressure / p, 1.0e-12)
+        isentropic_temperature = max(
+            T * pressure_ratio**isentropic_temperature_exponent,
+            2.2,
+        )
+        downstream_factor, _unused_exponent = (
+            self._local_isentropic_density_pressure_factor(
+                max(downstream_pressure, 1.0),
+                isentropic_temperature,
+            )
+        )
+        # AMESim 2404 saggs_ evaluates the local factor at the upstream
+        # state and at an approximate isentropic downstream state.
+        return 0.5 * (upstream_factor + downstream_factor)
+
     def pressure(self, m: float, T: float, V: float) -> float:
         if V <= 0.0:
             raise ValueError("Volume must stay positive.")
         return self.fluid.pressure_from_density(T, m / V)
 
+    def specific_internal_energy(self, T: float) -> float:
+        return self.R_gas * (
+            (self.nasa_cp_over_R - 1.0) * T
+            + self.nasa_enthalpy_constant_K
+        )
+
+    def specific_internal_energy_at_pressure(self, p: float, T: float) -> float:
+        density = self.density(p, T)
+        return (
+            self.specific_internal_energy(T)
+            + self.fluid.residual_specific_internal_energy_at_density(T, density)
+        )
+
+    def specific_enthalpy(self, T: float) -> float:
+        return self.R_gas * (
+            self.nasa_cp_over_R * T
+            + self.nasa_enthalpy_constant_K
+        )
+
+    def specific_enthalpy_at_pressure(self, p: float, T: float) -> float:
+        return self.specific_enthalpy(T) + self.fluid.residual_specific_enthalpy(p, T)
+
+    def temperature_from_internal_energy(self, u: float) -> float:
+        return (
+            u / self.R_gas - self.nasa_enthalpy_constant_K
+        ) / (self.nasa_cp_over_R - 1.0)
+
+    def temperature_from_enthalpy(self, h: float) -> float:
+        return (
+            h / self.R_gas - self.nasa_enthalpy_constant_K
+        ) / self.nasa_cp_over_R
+
+    def temperature_from_pressure_enthalpy(self, p: float, h: float) -> float:
+        temperature = max(self.temperature_from_enthalpy(h), 2.2)
+        for _iteration in range(16):
+            residual_enthalpy = self.fluid.residual_specific_enthalpy(p, temperature)
+            next_temperature = max(
+                self.temperature_from_enthalpy(h - residual_enthalpy),
+                2.2,
+            )
+            if abs(next_temperature - temperature) <= 1.0e-10 * max(
+                temperature,
+                1.0,
+            ):
+                return next_temperature
+            temperature = next_temperature
+        return temperature
+
+    def temperature_from_mass_internal_energy(self, m: float, U: float) -> float:
+        if m <= 0.0:
+            raise ValueError("Mass must stay positive when recovering temperature.")
+        return self.temperature_from_internal_energy(U / m)
+
+    def properties_from_mU(
+        self,
+        m: float,
+        U: float,
+        V: float,
+    ) -> ThermodynamicProperties:
+        if m <= 0.0:
+            raise ValueError("Mass must stay positive when recovering temperature.")
+        if V <= 0.0:
+            raise ValueError("Volume must stay positive.")
+        density = m / V
+        target_internal_energy = U / m
+        temperature = max(
+            self.temperature_from_internal_energy(target_internal_energy),
+            2.2,
+        )
+        for _iteration in range(16):
+            residual_internal_energy = (
+                self.fluid.residual_specific_internal_energy_at_density(
+                    temperature,
+                    density,
+                )
+            )
+            next_temperature = max(
+                self.temperature_from_internal_energy(
+                    target_internal_energy - residual_internal_energy
+                ),
+                2.2,
+            )
+            if abs(next_temperature - temperature) <= 1.0e-10 * max(
+                temperature,
+                1.0,
+            ):
+                temperature = next_temperature
+                break
+            temperature = next_temperature
+        pressure = self.fluid.pressure_from_density(temperature, density)
+        return ThermodynamicProperties(
+            p=pressure,
+            T=temperature,
+            rho=density,
+            u=target_internal_energy,
+            h=self.specific_enthalpy_at_pressure(
+                pressure,
+                temperature,
+            ),
+        )
+
 
 @dataclass(frozen=True)
 class AmesimGasPropertyModelSpec:

app/simulation/components/amesim/storage/chambers.py

@@ -142,9 +142,9 @@ class AmesimPnch023(ThermodynamicVolumeComponent):
         self.p0 = float(p0)
         self.T0 = float(T0)
         m0 = medium.density(self.p0, self.T0) * self.cvol
-        U0 = m0 * medium.specific_internal_energy(self.T0)
+        U0 = m0 * medium.specific_internal_energy_at_pressure(self.p0, self.T0)
         self.state = VolumeState(m=m0, U=U0)
-        initial_h = medium.specific_enthalpy(self.T0)
+        initial_h = medium.specific_enthalpy_at_pressure(self.p0, self.T0)
         self.port_1 = self.register_declared_port("port_1")
         self.port_1.p = self.p0
         self.port_1.h_outflow = initial_h
@@ -413,9 +413,9 @@ class AmesimPnch012(ThermodynamicVolumeComponent):
         if self.total_volume() <= 0.0:
             raise ValueError("PNCH012 total volume must be positive.")
         m0 = medium.density(self.p0, self.T0) * self.total_volume()
-        U0 = m0 * medium.specific_internal_energy(self.T0)
+        U0 = m0 * medium.specific_internal_energy_at_pressure(self.p0, self.T0)
         self.state = VolumeState(m=m0, U=U0)
-        initial_h = medium.specific_enthalpy(self.T0)
+        initial_h = medium.specific_enthalpy_at_pressure(self.p0, self.T0)
         for port_name in ("port_1", "port_2", "port_3", "port_4"):
             port = self.register_declared_port(port_name)
             port.p = self.p0

app/simulation/core/medium.py

@@ -38,16 +38,29 @@ class GasMedium(Protocol):
 
     def density(self, p: float, T: float) -> float: ...
 
+    def isentropic_density_pressure_factor(
+        self,
+        p: float,
+        T: float,
+        downstream_pressure: float | None = None,
+    ) -> float: ...
+
     def dynamic_viscosity(self, T: float) -> float: ...
 
     def specific_internal_energy(self, T: float) -> float: ...
 
+    def specific_internal_energy_at_pressure(self, p: float, T: float) -> float: ...
+
     def specific_enthalpy(self, T: float) -> float: ...
 
+    def specific_enthalpy_at_pressure(self, p: float, T: float) -> float: ...
+
     def temperature_from_internal_energy(self, u: float) -> float: ...
 
     def temperature_from_enthalpy(self, h: float) -> float: ...
 
+    def temperature_from_pressure_enthalpy(self, p: float, h: float) -> float: ...
+
     def temperature_from_mass_internal_energy(self, m: float, U: float) -> float: ...
 
     def pressure(self, m: float, T: float, V: float) -> float: ...
@@ -96,6 +109,18 @@ class IdealGasMedium:
     def density(self, p: float, T: float) -> float:
         return p / (self.R_gas * T)
 
+    def isentropic_density_pressure_factor(
+        self,
+        p: float,
+        T: float,
+        downstream_pressure: float | None = None,
+    ) -> float:
+        del p
+        del downstream_pressure
+        cp = self.cp_at_temperature(T)
+        cv = self.cv_at_temperature(T)
+        return cv / cp
+
     def dynamic_viscosity(self, T: float) -> float:
         """Return dynamic viscosity using the default air Sutherland law."""
 
@@ -116,6 +141,10 @@ class IdealGasMedium:
             + 0.5 * self.cp_slope * delta_T * delta_T
         )
 
+    def specific_internal_energy_at_pressure(self, p: float, T: float) -> float:
+        del p
+        return self.specific_internal_energy(T)
+
     def specific_enthalpy(self, T: float) -> float:
         delta_T = T - self.T_ref
         return (
@@ -124,6 +153,10 @@ class IdealGasMedium:
             + 0.5 * self.cp_slope * delta_T * delta_T
         )
 
+    def specific_enthalpy_at_pressure(self, p: float, T: float) -> float:
+        del p
+        return self.specific_enthalpy(T)
+
     def temperature_from_internal_energy(self, u: float) -> float:
         reference_internal_energy = self.cv * self.T_ref
         delta_u = u - reference_internal_energy
@@ -156,6 +189,10 @@ class IdealGasMedium:
         delta_T = positive_root if abs(positive_root) <= abs(negative_root) else negative_root
         return self.T_ref + delta_T
 
+    def temperature_from_pressure_enthalpy(self, p: float, h: float) -> float:
+        del p
+        return self.temperature_from_enthalpy(h)
+
     def temperature_from_mass_internal_energy(self, m: float, U: float) -> float:
         if m <= 0.0:
             raise ValueError("Mass must stay positive when recovering temperature.")

app/simulation/core/peng_robinson.py

@@ -6,6 +6,10 @@ from dataclasses import dataclass
 from math import acos, cos, isfinite, log, pi, sqrt
 
 UNIVERSAL_GAS_CONSTANT = 8.31446261815324
+# Simcenter Amesim 2404 ``sag_reinit_eos_`` keeps more digits than the
+# commonly printed Peng-Robinson constants 0.45724 and 0.07780.
+PENG_ROBINSON_A_COEFFICIENT = 0.457235583
+PENG_ROBINSON_B_COEFFICIENT = 0.07779607
 
 
 @dataclass(frozen=True)
@@ -29,7 +33,7 @@ class PengRobinsonFluid:
     @property
     def a_parameter(self) -> float:
         return (
-            0.45724
+            PENG_ROBINSON_A_COEFFICIENT
             * UNIVERSAL_GAS_CONSTANT
             * UNIVERSAL_GAS_CONSTANT
             * self.critical_temperature
@@ -39,7 +43,12 @@ class PengRobinsonFluid:
 
     @property
     def b_parameter(self) -> float:
-        return 0.07780 * UNIVERSAL_GAS_CONSTANT * self.critical_temperature / self.critical_pressure
+        return (
+            PENG_ROBINSON_B_COEFFICIENT
+            * UNIVERSAL_GAS_CONSTANT
+            * self.critical_temperature
+            / self.critical_pressure
+        )
 
     @property
     def kappa(self) -> float:
@@ -62,12 +71,32 @@ class PengRobinsonFluid:
             / (self.critical_temperature * sqrt_reduced_temperature)
         )
 
+    def alpha_temperature_second_derivative(self, temperature: float) -> float:
+        self._validate_temperature(temperature)
+        reduced_temperature = temperature / self.critical_temperature
+        sqrt_reduced_temperature = sqrt(reduced_temperature)
+        alpha_base = 1.0 + self.kappa * (1.0 - sqrt_reduced_temperature)
+        return (
+            self.kappa
+            / (2.0 * self.critical_temperature * self.critical_temperature)
+            * (
+                self.kappa / reduced_temperature
+                + alpha_base / (reduced_temperature * sqrt_reduced_temperature)
+            )
+        )
+
     def attractive_parameter(self, temperature: float) -> float:
         return self.a_parameter * self.alpha(temperature)
 
     def attractive_parameter_temperature_derivative(self, temperature: float) -> float:
         return self.a_parameter * self.alpha_temperature_derivative(temperature)
 
+    def attractive_parameter_temperature_second_derivative(
+        self,
+        temperature: float,
+    ) -> float:
+        return self.a_parameter * self.alpha_temperature_second_derivative(temperature)
+
     def pressure_from_molar_volume(self, temperature: float, molar_volume: float) -> float:
         self._validate_temperature(temperature)
         if molar_volume <= self.b_parameter:
@@ -83,6 +112,51 @@ class PengRobinsonFluid:
             raise ValueError("Density must be positive.")
         return self.pressure_from_molar_volume(temperature, self.molar_mass / density)
 
+    def pressure_temperature_derivative_at_density(
+        self,
+        temperature: float,
+        density: float,
+    ) -> float:
+        self._validate_temperature(temperature)
+        if density <= 0.0:
+            raise ValueError("Density must be positive.")
+        molar_volume = self.molar_mass / density
+        if molar_volume <= self.b_parameter:
+            raise RecoverableTrialStateError(
+                "Molar volume must be larger than Peng-Robinson b parameter."
+            )
+        b = self.b_parameter
+        denominator = molar_volume * (molar_volume + b) + b * (molar_volume - b)
+        return (
+            UNIVERSAL_GAS_CONSTANT / (molar_volume - b)
+            - self.attractive_parameter_temperature_derivative(temperature) / denominator
+        )
+
+    def pressure_density_derivative_at_temperature(
+        self,
+        temperature: float,
+        density: float,
+    ) -> float:
+        self._validate_temperature(temperature)
+        if density <= 0.0:
+            raise ValueError("Density must be positive.")
+        molar_volume = self.molar_mass / density
+        if molar_volume <= self.b_parameter:
+            raise RecoverableTrialStateError(
+                "Molar volume must be larger than Peng-Robinson b parameter."
+            )
+        b = self.b_parameter
+        denominator = molar_volume * (molar_volume + b) + b * (molar_volume - b)
+        pressure_molar_volume_derivative = (
+            -UNIVERSAL_GAS_CONSTANT * temperature / (molar_volume - b) ** 2
+            + self.attractive_parameter(temperature)
+            * 2.0
+            * (molar_volume + b)
+            / denominator**2
+        )
+        molar_volume_density_derivative = -self.molar_mass / (density * density)
+        return pressure_molar_volume_derivative * molar_volume_density_derivative
+
     def reduced_parameters(self, pressure: float, temperature: float) -> tuple[float, float]:
         self._validate_pressure_temperature(pressure, temperature)
         a_alpha = self.attractive_parameter(temperature)
@@ -165,6 +239,63 @@ class PengRobinsonFluid:
         )
         return residual_molar_enthalpy / self.molar_mass
 
+    def residual_specific_internal_energy_at_density(
+        self,
+        temperature: float,
+        density: float,
+    ) -> float:
+        """Return Peng-Robinson internal-energy departure, J/kg."""
+        self._validate_temperature(temperature)
+        if density <= 0.0:
+            raise ValueError("Density must be positive.")
+        molar_volume = self.molar_mass / density
+        b = self.b_parameter
+        if molar_volume <= b:
+            raise RecoverableTrialStateError(
+                "Molar volume must be larger than Peng-Robinson b parameter."
+            )
+        attractive = self.attractive_parameter(temperature)
+        d_attractive_d_temperature = (
+            self.attractive_parameter_temperature_derivative(temperature)
+        )
+        log_argument = (
+            molar_volume + (1.0 + sqrt(2.0)) * b
+        ) / (
+            molar_volume + (1.0 - sqrt(2.0)) * b
+        )
+        residual_molar_internal_energy = (
+            temperature * d_attractive_d_temperature - attractive
+        ) * log(log_argument) / (2.0 * sqrt(2.0) * b)
+        return residual_molar_internal_energy / self.molar_mass
+
+    def residual_isochoric_heat_capacity_at_density(
+        self,
+        temperature: float,
+        density: float,
+    ) -> float:
+        """Return the constant-volume heat-capacity departure, J/kg/K."""
+        self._validate_temperature(temperature)
+        if density <= 0.0:
+            raise ValueError("Density must be positive.")
+        molar_volume = self.molar_mass / density
+        b = self.b_parameter
+        if molar_volume <= b:
+            raise RecoverableTrialStateError(
+                "Molar volume must be larger than Peng-Robinson b parameter."
+            )
+        log_argument = (
+            molar_volume + (1.0 + sqrt(2.0)) * b
+        ) / (
+            molar_volume + (1.0 - sqrt(2.0)) * b
+        )
+        residual_molar_cv = (
+            temperature
+            * self.attractive_parameter_temperature_second_derivative(temperature)
+            * log(log_argument)
+            / (2.0 * sqrt(2.0) * b)
+        )
+        return residual_molar_cv / self.molar_mass
+
     @staticmethod
     def _validate_temperature(temperature: float) -> None:
         if temperature <= 0.0:
@@ -181,7 +312,8 @@ HELIUM_PR = PengRobinsonFluid(
     molar_mass=0.004002602,
     critical_temperature=5.1953,
     critical_pressure=227_460.0,
-    acentric_factor=-0.385,
+    # Simcenter Amesim 2404 helium_eos.data.
+    acentric_factor=-0.382,
 )
 
 NITROGEN_PR = PengRobinsonFluid(

app/simulation/systems/generic.py

@@ -268,8 +268,13 @@ class GenericFluidSystem:
                 component.refresh_thermodynamic_ports()
             algebraic = self.pressure_flow_solver.solve()
         stream, connected_h = self.stream_resolver.solve()
+        # Some constitutive flow laws recover their upstream temperature from
+        # the connected stream enthalpy.  Stream propagation updates that
+        # cache after the first pressure-flow pass, so refresh explicit flows
+        # once more before evaluating state derivatives and result variables.
+        algebraic = self.pressure_flow_solver.solve()
         self.mechanical_state_reducer.update_constraint_accelerations()
-        self.algebraic_solve_count += 1 + int(bool(pneumatic_volume.propagated))
+        self.algebraic_solve_count += 2 + int(bool(pneumatic_volume.propagated))
         self.max_algebraic_residual = max(
             self.max_algebraic_residual,
             algebraic.max_scaled_residual,

tests/test_amesim_helium_medium.py

@@ -18,7 +18,7 @@ from tests.test_system_xml_protocol import physical_port
 
 
 class AmesimHeliumPengRobinsonMediumTests(unittest.TestCase):
-    def test_uses_shared_peng_robinson_eos_and_committed_caloric_constants(
+    def test_uses_amesim_2404_peng_robinson_and_nasa_constants(
         self,
     ) -> None:
         medium = AmesimHeliumPengRobinsonMedium()
@@ -32,11 +32,11 @@ class AmesimHeliumPengRobinsonMediumTests(unittest.TestCase):
         self.assertEqual(medium.SUBSTANCE_ID, "helium")
         self.assertEqual(medium.PROPERTY_METHOD_ID, "peng_robinson")
         self.assertAlmostEqual(medium.R_gas, HELIUM_PR.specific_gas_constant)
-        self.assertEqual(medium.cp_ref, 5193.0)
-        self.assertEqual(medium.cv, 3116.0)
-        self.assertEqual(medium.cp_at_temperature(400.0), 5193.0)
-        self.assertEqual(medium.cv_at_temperature(400.0), 3116.0)
-        self.assertAlmostEqual(medium.gamma, 5193.0 / 3116.0)
+        self.assertEqual(medium.cp_ref, 2.5 * medium.R_gas)
+        self.assertEqual(medium.cv, 1.5 * medium.R_gas)
+        self.assertEqual(medium.cp_at_temperature(400.0), 2.5 * medium.R_gas)
+        self.assertEqual(medium.cv_at_temperature(400.0), 1.5 * medium.R_gas)
+        self.assertAlmostEqual(medium.gamma, 5.0 / 3.0)
         self.assertAlmostEqual(density, HELIUM_PR.density(pressure, temperature))
         self.assertAlmostEqual(
             medium.pressure(density * volume, temperature, volume),
@@ -44,7 +44,7 @@ class AmesimHeliumPengRobinsonMediumTests(unittest.TestCase):
             delta=pressure * 1.0e-12,
         )
 
-    def test_constant_caloric_model_and_sutherland_viscosity_complete_contract(
+    def test_nasa_caloric_reference_and_sutherland_viscosity_complete_contract(
         self,
     ) -> None:
         medium = AmesimHeliumPengRobinsonMedium()
@@ -53,8 +53,14 @@ class AmesimHeliumPengRobinsonMediumTests(unittest.TestCase):
         internal_energy = medium.specific_internal_energy(temperature)
         enthalpy = medium.specific_enthalpy(temperature)
 
-        self.assertEqual(internal_energy, 3116.0 * temperature)
-        self.assertEqual(enthalpy, 5193.0 * temperature)
+        self.assertEqual(
+            internal_energy,
+            medium.R_gas * (1.5 * temperature - 745.375),
+        )
+        self.assertEqual(
+            enthalpy,
+            medium.R_gas * (2.5 * temperature - 745.375),
+        )
         self.assertEqual(
             medium.temperature_from_internal_energy(internal_energy),
             temperature,
@@ -66,6 +72,56 @@ class AmesimHeliumPengRobinsonMediumTests(unittest.TestCase):
         self.assertAlmostEqual(medium.dynamic_viscosity(293.15), 1.96e-5)
         self.assertEqual(medium.sutherland_constant, 79.4)
 
+    def test_pressure_transport_enthalpy_includes_peng_robinson_departure(
+        self,
+    ) -> None:
+        medium = AmesimHeliumPengRobinsonMedium()
+        pressure = 13_839_965.0
+        temperature = 287.7322
+
+        ideal_enthalpy = medium.specific_enthalpy(temperature)
+        transport_enthalpy = medium.specific_enthalpy_at_pressure(pressure, temperature)
+
+        self.assertGreater(
+            transport_enthalpy,
+            ideal_enthalpy,
+        )
+        self.assertAlmostEqual(
+            medium.temperature_from_pressure_enthalpy(pressure, transport_enthalpy),
+            temperature,
+            delta=1.0e-8,
+        )
+
+        density = medium.density(pressure, temperature)
+        volume = 0.01
+        properties = medium.properties_from_mU(
+            density * volume,
+            density
+            * volume
+            * medium.specific_internal_energy_at_pressure(pressure, temperature),
+            volume,
+        )
+        self.assertAlmostEqual(properties.p, pressure, delta=pressure * 1.0e-10)
+        self.assertAlmostEqual(properties.T, temperature, delta=1.0e-8)
+        self.assertAlmostEqual(
+            properties.h,
+            transport_enthalpy,
+            delta=2.0e-8,
+        )
+
+    def test_amesim_2404_real_gas_isentropic_factor_reference(self) -> None:
+        medium = AmesimHeliumPengRobinsonMedium()
+
+        self.assertAlmostEqual(
+            medium.isentropic_density_pressure_factor(
+                15_201_996.778497815,
+                292.3997890954483,
+                405_072.8123335606,
+            ),
+            0.5807873871273339,
+            delta=1.0e-12,
+        )
+
     def test_definition_maps_local_selector_to_amesim_fluid_and_eos_codes(
         self,
     ) -> None:

tests/test_amesim_pneumatic_components.py

@@ -51,8 +51,8 @@ class AmesimPneumaticComponentsTest(unittest.TestCase):
         self.assertAlmostEqual(ideal_reference_h, -54099.6354, delta=0.001)
         self.assertAlmostEqual(
             pressure_reference_h - ideal_reference_h,
-            11936.1,
-            delta=0.1,
+            12762.690087540526,
+            delta=1.0e-4,
         )
 
     def test_pressure_transport_enthalpy_restores_absolute_energy_offset(self) -> None:

tests/test_amesim_pnl0001_pipe.py

@@ -23,7 +23,11 @@ class AmesimPnl0001PipeTests(unittest.TestCase):
         self.assertEqual(len(self.pipe.get_state_vector()), 2)
         self.assertAlmostEqual(properties.p, 15.3e6, delta=1.0e-5)
         self.assertAlmostEqual(properties.T, 293.15)
-        self.assertAlmostEqual(self.pipe.gas_mass_g(), 3.716965219188, places=10)
+        self.assertAlmostEqual(
+            self.pipe.gas_mass_g(),
+            self.pipe.gas.density(15.3e6, 293.15) * self.pipe.volume * 1000.0,
+            places=10,
+        )
 
     def test_resistance_flow_follows_pressure_gradient(self) -> None:
         forward = self.pipe.resistance_mass_flow(

tests/test_amesim_pnvo001_fixed_component.py

@@ -3,6 +3,9 @@ from __future__ import annotations
 import unittest
 
 from app.simulation.components.amesim.flow.orifices import AmesimPnvo001FixedOpening
+from app.simulation.components.amesim.media.mediums import (
+    AmesimHeliumPengRobinsonMedium,
+)
 from app.simulation.core.medium import IdealGasMedium
 from app.simulation.registry import COMPONENT_MODEL_REGISTRY
 
@@ -61,6 +64,86 @@ class AmesimPnvo001FixedOpeningComponentTests(unittest.TestCase):
         self.assertLess(reverse, 0.0)
         self.assertAlmostEqual(forward, -reverse)
 
+    def test_mass_flow_uses_connected_enthalpy_from_the_upstream_side(self) -> None:
+        valve = AmesimPnvo001FixedOpening("valve_1", self.medium, opening=0.5)
+        hot_h = self.medium.specific_enthalpy(600.0)
+        cold_h = self.medium.specific_enthalpy(200.0)
+
+        valve.update_stream_outflows({"port_2": hot_h, "port_3": cold_h})
+
+        self.assertEqual(valve.port_2.h_outflow, cold_h)
+        self.assertEqual(valve.port_3.h_outflow, hot_h)
+        self.assertAlmostEqual(
+            valve.mass_flow(500000.0, 100000.0),
+            valve._one_way_mass_flow(
+                upstream_pressure=500000.0,
+                downstream_pressure=100000.0,
+                upstream_temperature=600.0,
+            ),
+        )
+        self.assertAlmostEqual(
+            valve.mass_flow(100000.0, 500000.0),
+            -valve._one_way_mass_flow(
+                upstream_pressure=500000.0,
+                downstream_pressure=100000.0,
+                upstream_temperature=200.0,
+            ),
+        )
+
+
+    def test_helium_flow_uses_pressure_enthalpy_and_real_gas_factor(self) -> None:
+        medium = AmesimHeliumPengRobinsonMedium()
+        valve = AmesimPnvo001FixedOpening(
+            "valve_1",
+            medium,
+            cq=0.45,
+            area0=78.5e-6,
+            opening=1.0,
+        )
+        upstream_pressure = 15_201_996.778497815
+        downstream_pressure = 405_072.8123335606
+        upstream_temperature = 292.3997890954483
+        valve.port_2.p = upstream_pressure
+        valve.port_3.p = downstream_pressure
+        upstream_enthalpy = medium.specific_enthalpy_at_pressure(
+            upstream_pressure,
+            upstream_temperature,
+        )
+        valve.update_stream_outflows(
+            {
+                "port_2": upstream_enthalpy,
+                "port_3": medium.specific_enthalpy_at_pressure(
+                    downstream_pressure,
+                    393.46713105173205,
+                ),
+            }
+        )
+
+        self.assertLess(upstream_enthalpy, 0.0)
+        self.assertAlmostEqual(
+            valve._upstream_temperature("port_2"),
+            upstream_temperature,
+            delta=1.0e-8,
+        )
+
+        self.assertAlmostEqual(
+            valve.mass_flow(upstream_pressure, downstream_pressure),
+            0.49551308906777447,
+            delta=1.0e-9,
+        )
+        results = valve.component_result_values()
+
+        self.assertAlmostEqual(
+            results["cm"],
+            0.015778323343746598,
+            delta=1.0e-11,
+        )
+        self.assertAlmostEqual(
+            results["gasvel"],
+            894.7011595213406,
+            delta=1.0e-8,
+        )
+
 
 if __name__ == "__main__":
     unittest.main()

tests/test_peng_robinson.py

@@ -19,6 +19,11 @@ class PengRobinsonTest(unittest.TestCase):
         density = HELIUM_PR.density(pressure, temperature)
 
         self.assertGreater(HELIUM_PR.compressibility_factor(pressure, temperature), 1.0)
+        self.assertAlmostEqual(
+            density,
+            24.114225444477153,
+            delta=1.0e-12,
+        )
         self.assertAlmostEqual(
             HELIUM_PR.pressure_from_density(temperature, density),
             pressure,
@@ -28,17 +33,43 @@ class PengRobinsonTest(unittest.TestCase):
     def test_helium_residual_enthalpy_is_small_at_atmosphere(self) -> None:
         self.assertAlmostEqual(
             HELIUM_PR.residual_specific_enthalpy(101_300.0, 298.15),
-            17.834,
+            25.3556466754,
             delta=0.01,
         )
 
     def test_helium_residual_enthalpy_captures_high_pressure_departure(self) -> None:
         self.assertAlmostEqual(
             HELIUM_PR.residual_specific_enthalpy(13_839_965.0, 287.7322),
-            11953.9,
+            12788.0457342,
             delta=0.1,
         )
 
+    def test_residual_isochoric_heat_capacity_is_internal_energy_derivative(
+        self,
+    ) -> None:
+        temperature = 292.3997890954483
+        density = 24.02697515640726
+        temperature_step = 1.0e-3
+        numerical_derivative = (
+            HELIUM_PR.residual_specific_internal_energy_at_density(
+                temperature + temperature_step,
+                density,
+            )
+            - HELIUM_PR.residual_specific_internal_energy_at_density(
+                temperature - temperature_step,
+                density,
+            )
+        ) / (2.0 * temperature_step)
+
+        self.assertAlmostEqual(
+            HELIUM_PR.residual_isochoric_heat_capacity_at_density(
+                temperature,
+                density,
+            ),
+            numerical_derivative,
+            delta=1.0e-6,
+        )
+
     def test_air_reference_remains_available_for_other_models(self) -> None:
         z = AIR_PR.compressibility_factor(101_325.0, 300.0)
         density = AIR_PR.density(101_325.0, 300.0)
@@ -60,7 +91,7 @@ class PengRobinsonTest(unittest.TestCase):
             molar_mass=0.004002602,
             critical_temperature=5.1953,
             critical_pressure=227_460.0,
-            acentric_factor=-0.385,
+            acentric_factor=-0.382,
         )
 
         self.assertAlmostEqual(fluid.specific_gas_constant, 2077.3, delta=0.5)

tests/test_pressure_flow_solver_initialization.py

@@ -16,6 +16,7 @@ from app.simulation.components.experimental.storage.tank import Tank
 from app.simulation.core.medium import IdealGasMedium
 from app.simulation.core.state import VolumeState
 from app.simulation.solvers.algebraic import AlgebraicSolveError, PressureFlowSolver
+from app.simulation.systems.generic import GenericFluidSystem
 from app.simulation.systems.network import SimulationNetwork
 
 
@@ -59,10 +60,40 @@ class PressureFlowSolverInitializationTests(unittest.TestCase):
         mass = medium.density(pressure, temperature) * component.V
         component.state = VolumeState(
             m=mass,
-            U=mass * medium.specific_internal_energy(temperature),
+            U=mass
+            * medium.specific_internal_energy_at_pressure(
+                pressure,
+                temperature,
+            ),
         )
         component.refresh_thermodynamic_ports()
 
+    def test_stream_enthalpy_refreshes_explicit_orifice_flow(self) -> None:
+        network, medium, high, low, valve = self._near_equal_pressure_network()
+        self._set_pressure_temperature(
+            high,
+            medium,
+            15_201_996.778497815,
+            292.3997890954483,
+        )
+        self._set_pressure_temperature(
+            low,
+            medium,
+            405_072.8123335606,
+            393.46713105173205,
+        )
+
+        system = GenericFluidSystem(network)
+        system.consistent_initial_state_vector()
+
+        self.assertLess(valve._connected_h["port_2"], 0.0)
+        self.assertAlmostEqual(
+            valve.port_2.m_flow,
+            valve.mass_flow(valve.port_2.p, valve.port_3.p),
+            places=12,
+        )
+        self.assertAlmostEqual(valve.port_3.m_flow, -valve.port_2.m_flow, places=12)
+
     def test_current_storage_pressure_reseeds_stale_orifice_ports_and_flow(self) -> None:
         network, medium, high, low, valve = self._near_equal_pressure_network()
         solver = PressureFlowSolver(network, max_evaluations=10)