diff --git a/lyopronto/functions.py b/lyopronto/functions.py index e13570a7..14b43b46 100644 --- a/lyopronto/functions.py +++ b/lyopronto/functions.py @@ -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 ####################### ## @@ -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 @@ -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] @@ -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]