From 2fd675294b5b64cfe42861ec7d3415ba7ce73f9d Mon Sep 17 00:00:00 2001
From: Rahil Doshi <rahil.doshi@fau.de>
Date: Fri, 28 Mar 2025 13:44:34 +0100
Subject: [PATCH] Update specific enthalpy models
---
src/pymatlib/core/models.py | 93 +++++++++++++++++++++++++++++++------
1 file changed, 79 insertions(+), 14 deletions(-)
diff --git a/src/pymatlib/core/models.py b/src/pymatlib/core/models.py
index afdbb02..3e27b3a 100644
--- a/src/pymatlib/core/models.py
+++ b/src/pymatlib/core/models.py
@@ -163,28 +163,93 @@ def thermal_diffusivity_by_heat_conductivity(
# TODO: Add models for specific_enthalpy (h)
def specific_enthalpy_sensible(
- temperature: Union[float, sp.Symbol],
+ T: Union[float, sp.Symbol],
+ temperature_array: np.ndarray,
heat_capacity: Union[float, MaterialProperty]) \
-> MaterialProperty:
+ """
+ Calculate specific enthalpy array using heat capacity only.
+ h(T_i) = h(T_(i-1)) + c_p(T_i)*(T_i - T_(i-1))
+ """
+ print("Entering specific_enthalpy_sensible")
+ # Validate temperature array is sorted
+ if not np.all(temperature_array[:-1] <= temperature_array[1:]):
+ raise ValueError("Temperature array must be sorted in ascending order for correct enthalpy calculation.")
+ # print(temperature_array)
+ print(temperature_array.shape)
+ # Initialize enthalpy array
+ enthalpy_array = np.zeros_like(temperature_array)
+ # Calculate initial enthalpy at the first temperature
+ T_0 = temperature_array[0]
+ cp_0 = heat_capacity.evalf(T, T_0)
+ print(T_0, cp_0)
- heat_capacity_expr, sub_assignments \
- = _prepare_material_expressions(heat_capacity)
+ # Calculate enthalpy at first temperature point
+ enthalpy_array[0] = cp_0 * T_0
- specific_enthalpy_expr = temperature * heat_capacity_expr
- return MaterialProperty(specific_enthalpy_expr, sub_assignments)
+ # Iterate through temperature points to calculate enthalpy incrementally
+ for i in range(1, len(temperature_array)):
+ T_i = temperature_array[i]
+ T_prev = temperature_array[i-1]
+ # Evaluate material properties at current temperature
+ cp_i = heat_capacity.evalf(T, T_i)
-def specific_enthalpy_with_latent_heat(
- temperature: Union[float, sp.Symbol],
- heat_capacity: Union[float, MaterialProperty],
- latent_heat: Union[float, MaterialProperty]) \
- -> MaterialProperty:
+ # Calculate enthalpy increment
+ sensible_heat = cp_i * (T_i - T_prev)
- (heat_capacity_expr, latent_heat_expr), sub_assignments \
- = _prepare_material_expressions(heat_capacity, latent_heat)
+ # Update enthalpy
+ enthalpy_array[i] = enthalpy_array[i-1] + sensible_heat
- specific_enthalpy_expr = temperature * heat_capacity_expr + latent_heat_expr
- return MaterialProperty(specific_enthalpy_expr, sub_assignments)
+ from pymatlib.core.interpolators import interpolate_property
+ return interpolate_property(T, temperature_array, enthalpy_array)
+
+
+def specific_enthalpy_with_latent_heat(
+ T: Union[float, sp.Symbol],
+ temperature_array: np.ndarray,
+ heat_capacity: MaterialProperty,
+ latent_heat: MaterialProperty) -> MaterialProperty:
+ """
+ Calculate specific enthalpy array using heat capacity and latent heat.
+ h(T_i) = h(T_(i-1)) + c_p(T_i)*(T_i - T_(i-1)) + [L(T_i) - L(T_(i-1))]
+ """
+ print("Entering specific_enthalpy_with_latent_heat")
+ # Validate temperature array is sorted
+ if not np.all(temperature_array[:-1] <= temperature_array[1:]):
+ raise ValueError("Temperature array must be sorted in ascending order for correct enthalpy calculation.")
+ # print(temperature_array)
+ print(temperature_array.shape)
+ # Initialize enthalpy array
+ enthalpy_array = np.zeros_like(temperature_array)
+ # Calculate initial enthalpy at the first temperature
+ T_0 = temperature_array[0]
+ cp_0 = heat_capacity.evalf(T, T_0)
+ L_0 = latent_heat.evalf(T, T_0)
+ print(T_0, cp_0, L_0)
+
+ # Calculate enthalpy at first temperature point
+ enthalpy_array[0] = cp_0 * T_0 + L_0
+
+ # Iterate through temperature points to calculate enthalpy incrementally
+ for i in range(1, len(temperature_array)):
+ T_i = temperature_array[i]
+ T_prev = temperature_array[i-1]
+
+ # Evaluate material properties at current temperature
+ cp_i = heat_capacity.evalf(T, T_i)
+ L_i = latent_heat.evalf(T, T_i)
+ L_prev = latent_heat.evalf(T, T_prev)
+
+ # Calculate enthalpy increment
+ sensible_heat = cp_i * (T_i - T_prev)
+ latent_heat_change = L_i - L_prev
+
+ # Update enthalpy
+ enthalpy_array[i] = enthalpy_array[i-1] + sensible_heat + latent_heat_change
+
+ from pymatlib.core.interpolators import interpolate_property
+ return interpolate_property(T, temperature_array, enthalpy_array)
def energy_density(
--
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