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Merged
Ickaser merged 1 commit into from
Mar 28, 2026
Merged

Apply bracket unit style to comments and docstrings #20

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16 changes: 8 additions & 8 deletions lyopronto/calc_knownRp.py
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Original file line number Diff line number Diff line change
Expand Up @@ -49,7 +49,7 @@ def dry(vial,product,ht,Pchamber,Tshelf,dt):
################## Initialization ################

# Initial fill height
Lpr0 = functions.Lpr0_FUN(vial['Vfill'],vial['Ap'],product['cSolid']) # cm
Lpr0 = functions.Lpr0_FUN(vial['Vfill'],vial['Ap'],product['cSolid']) # [cm]

# Time-dependent functions for Pchamber and Tshelf, take time in hours
Pch_t = functions.RampInterpolator(Pchamber)
Expand All @@ -58,7 +58,7 @@ def dry(vial,product,ht,Pchamber,Tshelf,dt):
# Get maximum simulation time based on shelf and chamber setpoints
# This may not really be necessary, but is part of legacy behavior
# Could remove in a future release
max_t = max(Pch_t.max_time(), Tsh_t.max_time()) # hr, add buffer
max_t = max(Pch_t.max_time(), Tsh_t.max_time()) # [hr], add buffer

if Pch_t.max_setpt() > functions.Vapor_pressure(Tsh_t.max_setpt()):
warn("Chamber pressure setpoint exceeds vapor pressure at shelf temperature " +\
Expand All @@ -75,21 +75,21 @@ def dry(vial,product,ht,Pchamber,Tshelf,dt):
# taking them as arguments.
def calc_dLdt(t, u):
# Time in hours
Lck = u[0] # cm
Lck = u[0] # [cm]
Tsh = Tsh_t(t)
Pch = Pch_t(t)
Kv = functions.Kv_FUN(ht['KC'],ht['KP'],ht['KD'],Pch) # Vial heat transfer coefficient in cal/s/K/cm^2
Rp = functions.Rp_FUN(Lck,product['R0'],product['A1'],product['A2']) # Product resistance in cm^2-hr-Torr/g
Tsub = fsolve(functions.T_sub_solver_FUN, T0, args = (Pch,vial['Av'],vial['Ap'],Kv,Lpr0,Lck,Rp,Tsh))[0] # Sublimation front temperature array in degC
dmdt = functions.sub_rate(vial['Ap'],Rp,Tsub,Pch) # Total sublimation rate array in kg/hr
Kv = functions.Kv_FUN(ht['KC'],ht['KP'],ht['KD'],Pch) # Vial heat transfer coefficient [cal/s/K/cm^2]
Rp = functions.Rp_FUN(Lck,product['R0'],product['A1'],product['A2']) # Product resistance [cm^2-hr-Torr/g]
Tsub = fsolve(functions.T_sub_solver_FUN, T0, args = (Pch,vial['Av'],vial['Ap'],Kv,Lpr0,Lck,Rp,Tsh))[0] # Sublimation front temperature [degC]
dmdt = functions.sub_rate(vial['Ap'],Rp,Tsub,Pch) # Total sublimation rate [kg/hr]
if dmdt<0:
# print("Shelf temperature is too low for sublimation.")
dmdt = 0.0
dLdt = 0
return [dLdt]
# Tbot = functions.T_bot_FUN(Tsub,Lpr0,Lck,Pch,Rp) # Vial bottom temperature array in degC

dLdt = (dmdt*constant.kg_To_g)/(1-product['cSolid']*constant.rho_solution/constant.rho_solute)/(vial['Ap']*constant.rho_ice)*(1-product['cSolid']*(constant.rho_solution-constant.rho_ice)/constant.rho_solute) # cm/hr
dLdt = (dmdt*constant.kg_To_g)/(1-product['cSolid']*constant.rho_solution/constant.rho_solute)/(vial['Ap']*constant.rho_ice)*(1-product['cSolid']*(constant.rho_solution-constant.rho_ice)/constant.rho_solute) # [cm/hr]
return [dLdt]

### ------ Condition for ending simulation: completed drying
Expand Down
20 changes: 10 additions & 10 deletions lyopronto/calc_unknownRp.py
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Expand Up @@ -27,14 +27,14 @@ def dry(vial,product,ht,Pchamber,Tshelf,time,Tbot_exp):
################## Initialization ################

# Initial fill height
Lpr0 = functions.Lpr0_FUN(vial['Vfill'],vial['Ap'],product['cSolid']) # cm
Lpr0 = functions.Lpr0_FUN(vial['Vfill'],vial['Ap'],product['cSolid']) # [cm]

# Initialization of cake length
Lck = 0.0 # Cake length in cm
Lck = 0.0 # Cake length [cm]
percent_dried = Lck/Lpr0*100.0 # Percent dried

# Initial shelf temperature
Tsh = Tshelf['init'] # degC
Tsh = Tshelf['init'] # [degC]
Tshelf = Tshelf.copy() # Don't edit the original argument!!
Tshelf['setpt'] = np.insert(Tshelf['setpt'],0,Tshelf['init']) # Include initial shelf temperature in set point array
# Shelf temperature control time
Expand All @@ -43,7 +43,7 @@ def dry(vial,product,ht,Pchamber,Tshelf,time,Tbot_exp):
Tshelf['t_setpt'] = np.append(Tshelf['t_setpt'],Tshelf['t_setpt'][-1]+dt_i/constant.hr_To_min)

# Initial chamber pressure
Pch = Pchamber['setpt'][0] # Torr
Pch = Pchamber['setpt'][0] # [Torr]
Pchamber = Pchamber.copy() # Don't edit the original argument!!
Pchamber['setpt'] = np.insert(Pchamber['setpt'],0,Pchamber['setpt'][0]) # Include initial chamber pressure in set point array
# Chamber pressure control time
Expand All @@ -60,20 +60,20 @@ def dry(vial,product,ht,Pchamber,Tshelf,time,Tbot_exp):

for iStep,t in enumerate(time): # Loop through for the time specified in the input file

Kv = functions.Kv_FUN(ht['KC'],ht['KP'],ht['KD'],Pch) # Vial heat transfer coefficient in cal/s/K/cm^2
Kv = functions.Kv_FUN(ht['KC'],ht['KP'],ht['KD'],Pch) # Vial heat transfer coefficient [cal/s/K/cm^2]

Tsub = sp.fsolve(functions.T_sub_Rp_finder, Tbot_exp[iStep], args = (vial['Av'],vial['Ap'],Kv,Lpr0,Lck,Tbot_exp[iStep],Tsh))[0] # Sublimation front temperature array in degC
Tsub = sp.fsolve(functions.T_sub_Rp_finder, Tbot_exp[iStep], args = (vial['Av'],vial['Ap'],Kv,Lpr0,Lck,Tbot_exp[iStep],Tsh))[0] # Sublimation front temperature [degC]
# Q = Kv*vial['Av']*(Tsh - Tbot_exp[iStep])
# Tsub = Tbot_exp[iStep] - Q/vial['Ap']/constant.k_ice*(Lpr0-Lck)
Rp = functions.Rp_finder(Tsub,Lpr0,Lck,Pch,Tbot_exp[iStep]) # Product resistance in cm^2-Torr-hr/g
dmdt = functions.sub_rate(vial['Ap'],Rp,Tsub,Pch) # Total sublimation rate array in kg/hr
Rp = functions.Rp_finder(Tsub,Lpr0,Lck,Pch,Tbot_exp[iStep]) # Product resistance [cm^2-Torr-hr/g]
dmdt = functions.sub_rate(vial['Ap'],Rp,Tsub,Pch) # Total sublimation rate [kg/hr]
if dmdt<0:
warn(f"No sublimation. t={t:1.2f}, Tsh={Tsh:2.1f}, Tsub={Tsub:3.1f}, dmdt={dmdt:1.2e}, Rp={Rp:1.2f}, Lck={Lck:1.2f}")
dmdt = 0.0
Rp = 0.0

# Sublimated ice length
dL = (dmdt*constant.kg_To_g)*dt[iStep]/(1-product['cSolid']*constant.rho_solution/constant.rho_solute)/(vial['Ap']*constant.rho_ice)*(1-product['cSolid']*(constant.rho_solution-constant.rho_ice)/constant.rho_solute) # cm
dL = (dmdt*constant.kg_To_g)*dt[iStep]/(1-product['cSolid']*constant.rho_solution/constant.rho_solute)/(vial['Ap']*constant.rho_ice)*(1-product['cSolid']*(constant.rho_solution-constant.rho_ice)/constant.rho_solute) # [cm]

# Update record as functions of the cycle time
if (iStep==0):
Expand All @@ -84,7 +84,7 @@ def dry(vial,product,ht,Pchamber,Tshelf,time,Tbot_exp):
product_res = np.append(product_res, [[t, float(Lck), float(Rp)]],axis=0)

# Advance counters
Lck = Lck + dL # Cake length in cm
Lck = Lck + dL # Cake length [cm]

percent_dried = Lck/Lpr0*100 # Percent dried

Expand Down
16 changes: 8 additions & 8 deletions lyopronto/constant.py
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Original file line number Diff line number Diff line change
Expand Up @@ -25,15 +25,15 @@
Torr_to_mTorr = 1000.0
cal_To_J = 4.184

rho_ice = 0.918 # g/mL
rho_solute = 1.5 # g/mL
rho_solution = 1.0 # g/mL
rho_ice = 0.918 # [g/mL]
rho_solute = 1.5 # [g/mL]
rho_solution = 1.0 # [g/mL]

dHs = 678.0 # Heat of sublimation in cal/g
k_ice = 0.0059 # Thermal conductivity of ice in cal/cm/s/K
dHf = 79.7 # Heat of fusion in cal/g
dHs = 678.0 # Heat of sublimation [cal/g]
k_ice = 0.0059 # Thermal conductivity of ice [cal/cm/s/K]
dHf = 79.7 # Heat of fusion [cal/g]

Cp_ice = 2030.0 # Constant pressure specific heat of ice in J/kg/K
Cp_solution = 4000.0 # Constant pressure specific heat of water in J/kg/K
Cp_ice = 2030.0 # Constant pressure specific heat of ice [J/kg/K]
Cp_solution = 4000.0 # Constant pressure specific heat of water [J/kg/K]

##################################################
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