对齐Amesim氦气PR物性与PNVO流量

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huojiarong committed 2026-08-03 15:34:33 +00:00
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+108 -35
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@@ -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
)
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 * flow_factor
mass_flow_parameter, _gas_velocity = self._one_way_flow_characteristics(
upstream_pressure=p_up,
downstream_pressure=downstream_pressure,
upstream_temperature=T_up,
)
return (
self.effective_cq
* self.effective_area
* p_up
* mass_flow_parameter
/ sqrt(T_up)
)
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(
+18 -8
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@@ -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()]
@@ -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:
@@ -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
+37
View File
@@ -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.")
+135 -3
View File
@@ -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(
+6 -1
View File
@@ -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,