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First Challenge Benchmark Data

Submitted by site admin on Wed, 2010-02-17 22:08.

Problem 1a

 Vapor-Liquid Equilibria for Dimethyl Ether(1) + Propylene(2)
Problem Conditions (1) Px data at 253.15 K (2) Px data at 293.15 K
  x1=0.0, 0.2, 0.4, 0.6, 0.8, 1.0 x1=0.5 (mole fractions)
Recommended Experimental Values: x1 (kPa) x1 (kPa)
  0.0 307.2 ± 0.5 0.5 794.4 ± 1.2
  0.2 277.3 ± 0.5
  0.4 245.7 ± 0.5
  0.6 210.8 ± 0.5
  0.8 170.9 ± 0.5
  1.0 125.0 ± 0.5

Problem 1b

 Vapor-Liquid Equilibria for Nitroethane (1) + Propylene Glycol Monomethyl Ether (2)
Problem Conditions (1) Azeotropic/Px data at 353.15 K (2) Azeotropic/Px data at 313.15 K
  x1=azeotrope, 0.2, 0.5 x1=azeotrope, 0.2, 0.5
Recommended Experimental Values: x1 (kPa) x1 (kPa)
  0.2 29.36 ± 0.06 0.2 4.92 ± 0.1
  0.5 33.54 ± 0.06 0.5 5.96 ± 0.1
Azeotrope 0.765 ± 0.045 34.72 ± 0.05 0.825 ± 0.045 6.34 ± 0.1

Problem II(a)

 Water Density
Problem Conditions 0.1 MPa, 293 K 2.0 MPa, 423 K
Recommended Experimental Values: 998.237 ± 0.001 kg·m-3 918.012 ± 0.009 kg·m-3

Problem II(b)

 Cyclohexane Density
Problem Conditions 0.1 MPa, 300 K 20.0 MPa, 400 K
Recommended Experimental Values: 772.13 ± 0.3 kg·m-3 702.9 ± 1.4 kg·m-3

Problem II(c)

 2-Propanol Density
Problem Conditions 0.1 MPa, 298.15 K 5 MPa, 400 K
Recommended Experimental Values: 781.86 ± 0.70 kg·m-3 680.40 ± 2.72 kg·m-3

Problem II(d)

 Diethanol Amine Density
Problem Conditions 0.1 MPa, 330 K 5 MPa, 400 K
Recommended Experimental Values: 1072.7 ± 0.3 kg·m-3 1025.2 ± 0.3 kg·m-3

Problem II(e)

 1,2,3-Trichloropropane Density
Problem Conditions 0.1 MPa, 290 K 1.5 MPa, 400 K
Recommended Experimental Values: 1393.3 ± 0.3 kg·m-3 1245.9 ± 0.3 kg·m-3

Problem II(f)

 Triethylene Glycol Density
Problem Conditions 0.1 MPa, 310 K 2 MPa, 280 K
Recommended Experimental Values: 1110.7 ± 0.3 kg·m-3 1135.0 ± 0.3 kg·m-3

Problem II(g)

 Pyridine Density
Problem Conditions 0.1 MPa, 298 K 10 MPa, 375 K
Recommended Experimental Values: 978.2 ± 0.5 kg·m-3 909 ± 4 kg·m-3

Problem II(h)

 Aqueous Choline Chloride Density
Problem Conditions 0.1 MPa, 298 K 20% choline chloride 1.0 MPa, 305 K 10% choline chloride
Recommended Experimental Values: 1020.52 ± 0.26 kg·m-3 1006.80 ± 0.60 kg·m-3

Problem II(i)

 Methanol + Water Density
Problem Conditions 0.1 MPa, 325 K 10 MPa, 400 K
Recommended Experimental Values: 897.7 ± 1.1 kg·m-3 828.8 ± 1.5 kg·m-3

Problem III

 Viscosity of 2-Propanol + n-Nonane Mixtures
Problem Conditions 0.1 MPa, 300 K
  n-Nonane 2-Propanol x=0.5 2-Propanol x=0.75 2-Propanol
Recommended Experimental Values: 0.650 ± 0.007 mPa×s 1.986 ± 0.021 mPa×s 0.756 ± 0.008 mPa×s 1.040 ± 0.011 mPa×s