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. 2025 May 21;10(21):21262–21279. doi: 10.1021/acsomega.4c10709

10. Comparison of Output Flow Characteristics of Reactors for Industrial Data and Modeling.

  data
kinetic model
rel. deviation
deviation %
total stream properties R1 R2 R3 R1 R2 R3 R1 R2 R3 R1 R2 R3
temperature (°C) 299.23 226.86 203.45 308.20 226.60 204.50 –8.97 0.26 –1.05 –3.00 0.11 –0.52
molar flow rate (kgmol/h) 1335.42 1318.72 1277.06 1335.64 1318.73 1277.08 –0.22 –0.01 –0.02 –0.02 0.00 0.00
molecular weight (kg/kgmol) 31.54 29.79 29.29 31.72 31.72 31.72 –0.18 –1.93 –2.43 –0.57 –6.48 –8.30
actual density (kg/m3) 1.05 1.05 1.00 0.93 0.93 0.93 0.12 0.12 0.07 11.43 11.43 7.00
viscosity (cP) 0.02 0.02 0.02 0.02 0.02 0.02 0.00 0.00 0.00 0.00 0.00 0.00
heat flow (MW) –58.65 –60.31 –60.77 –57.92 –57.92 –57.92 –0.73 –2.39 –2.85 1.24 3.96 4.69
molar enthalpy (kJ/kgmol) –158,107.93 –164,652.05 –166,432.50 –156,500.00 –156,500.00 –156,500.00 –1607.93 –8152.05 –9932.50 1.02 4.95 5.97
mass heat capacity (kJ/kg K) 1.16 1.20 1.16 1.19 1.19 1.19 –0.03 0.01 –0.03 –2.59 0.83 –2.59
thermal conductivity (W/m K) 0.04 0.04 0.03 0.04 0.04 0.04 0.00 0.00 –0.01 2.50 2.50 –30.00