如何用for循环实现化工迭代计算？Python循环代码优化求助

Instead of creating new variables (like n_New, n_New1) for each iteration, maintain a single set of variables to track current gas concentrations. Update these variables in-place each loop so they serve as input for the next iteration of dn_Sample and dn_Pronew.

Refactored Code #

n_masssection = 100

# Initialize with starting input values
current_CO, current_H2O, current_H2, current_CO2 = CO_in, H2O_in, H2_in, CO2_in

for _ in range(n_masssection):
    # Calculate dn using current concentrations
    dn = dn_Sample(current_CO, current_H2O, current_H2, current_CO2)
    # Update concentrations with new values from dn_Pronew
    current_CO, current_H2O, current_H2, current_CO2 = dn_Pronew(current_CO, current_H2O, current_H2, current_CO2, dn)

How It Works #

• We start by assigning initial input values to current_* variables.
• Each loop iteration:
  1. Call dn_Sample with the current concentrations to get the dn value.
  2. Call dn_Pronew with the same current concentrations and dn, then unpack the returned 4 values directly into the current_* variables.
• This overwrites the old values with the new ones, so the next loop uses the updated concentrations as input.

Track Intermediate Results (Optional) #

If you need to save all iteration results (not just the final state), append each set of concentrations to a list:

n_masssection = 100

current_CO, current_H2O, current_H2, current_CO2 = CO_in, H2O_in, H2_in, CO2_in
all_concentrations = [(current_CO, current_H2O, current_H2, current_CO2)]

for _ in range(n_masssection):
    dn = dn_Sample(current_CO, current_H2O, current_H2, current_CO2)
    current_CO, current_H2O, current_H2, current_CO2 = dn_Pronew(current_CO, current_H2O, current_H2, current_CO2, dn)
    all_concentrations.append((current_CO, current_H2O, current_H2, current_CO2))

# Final concentrations: current_CO, current_H2O, current_H2, current_CO2
# All steps: all_concentrations[0] = initial, all_concentrations[100] = final

内容的提问来源于stack exchange，提问作者VampirAbraxas