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Name the ice vapor-pressure coefficients and reuse Vapor_pressure #40

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Merged
Ickaser merged 1 commit into from
Aug 6, 2026
Merged

Name the ice vapor-pressure coefficients and reuse Vapor_pressure #40

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12 changes: 9 additions & 3 deletions lyopronto/functions.py
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Original file line number Diff line number Diff line change
Expand Up @@ -22,6 +22,12 @@
import numpy as np
from . import constant

# Antoine-form coefficients for the vapor pressure of ice over the primary
# drying range, in Torr and K. Used by Vapor_pressure and by its inverse in
# Tbot_max_eq_cap.
VAPOR_PRESSURE_PREEXPONENTIAL = 2.698e10
VAPOR_PRESSURE_TEMPERATURE_COEFFICIENT = 6144.96

####################### Functions #######################

##
Expand All @@ -32,7 +38,7 @@ def Vapor_pressure(T_sub):
temperature [degC]
"""

p = 2.698e10*np.exp(-6144.96/(273.15+T_sub)) # Vapor pressure at the sublimation temperature [Torr]
p = VAPOR_PRESSURE_PREEXPONENTIAL*np.exp(-VAPOR_PRESSURE_TEMPERATURE_COEFFICIENT/(273.15+T_sub)) # Vapor pressure at the sublimation temperature [Torr]

return p

Expand Down Expand Up @@ -202,7 +208,7 @@ def Tbot_max_eq_cap(Pch,dm_dt,Lpr0,Lck,Rp,Ap):
"""

P_sub = dm_dt/Ap*Rp + Pch # Sublimation front pressure [Torr]
T_sub = -6144.96/np.log(P_sub/2.698e10) - 273.15 # Sublimation front temperature [degC]
T_sub = -VAPOR_PRESSURE_TEMPERATURE_COEFFICIENT/np.log(P_sub/VAPOR_PRESSURE_PREEXPONENTIAL) - 273.15 # Sublimation front temperature [degC]
Tbot = T_sub + (Lpr0-Lck)*(P_sub-Pch)*constant.dHs/Rp/constant.hr_To_s/constant.k_ice # Vial bottom temperature [degC]
Tbot_max = np.max(Tbot) # Maximum vial bottom temperature [degC]

Expand Down Expand Up @@ -234,7 +240,7 @@ def Eq_Constraints(Pch,dmdt,Tbot,Tsh,Psub,Tsub,Kv,Lpr0,Lck,Av,Ap,Rp):
vial area [cm^2], product area [cm^2], and product resistance [cm^2-Torr-hr/g]
"""

C1 = Psub - 2.698e10*np.exp(-6144.96/(273.15+Tsub)) # Vapor pressure at the sublimation temperature [Torr]
C1 = Psub - Vapor_pressure(Tsub) # Vapor pressure at the sublimation temperature [Torr]

C2 = dmdt - Ap/Rp/constant.kg_To_g*(Psub-Pch) # Sublimation rate [kg/hr]

Expand Down
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