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Comparing Predicted Calculation with Experimental Data

The following table provides a comparison of breakthrough times calculated using the Wood1 model versus experimental data2. The percent variation of the calculated from the experimental values is also presented.
  1. Wood, G.O., Estimating Service Lives of Organic Vapor Cartridges, American Industrial Hygiene Association Journal, 55:11-15 (1994).
     
  2. Nelson, G.O., A.N. Correia, Respirator cartridge efficiency studies: VIII. Summary and conclusions, American Industrial Hygiene Association Journal, 37:514-525 (1976).
The following standard conditions were used:
Contaminant concentration: 1000 ppm
Number of respirator cartridges: 2
Sorbent: Activated charcoal, the specific source varied with manufacturer
Sorbent mass per cartridge:
Experimental - 25-40 g, the amount varied with manufacturer
Calculated - 26 g
Flow rate: 53.3 liters per minute
Temperature: 22 degrees Celsius
Relative humidity: 50%
Preconditioning humidity: 50% (for experimental)
Compound Name 1% Breakthrough 10% Breakthrough
Model Experimental Model vs Exp. Model Experimental Model vs Exp.
Aromatics
Benzene 56 73 -22.3% 68 88 -23.1%
Toluene 61 94 -34.5% 72 114 -36.4%
Ethylbenzene 60 83 -27.4% 70 105 -33.1%
m-Xylene 60 98 -38.3% 70 116 -39.3%
Cumene 56 81 -30.5% 64 103 -37.2%
Mesitylene 57 85 -33.3% 65 105 -37.6%
p-Cymene 52 75 -30.8% 59 92 -36.0%
Alcohols
Methanol 2 0 990.0% 5 3 54.3%
Ethanol 30 28 7.1% 43 45 -4.8%
Isopropanol 47 54 -12.1% 61 81 -24.8%
Allyl alcohol 69 65 5.9% 87 105 -16.5%
Propanol 56 85 -34.2% 73 123 -40.5%
sec-Butanol 58 96 -38.7% 72 121 -39.8%
Butanol 68 115 -40.3% 84 141 -40.3%
2-Pentanol 63 86 -27.4% 75 111 -32.2%
3-Methyl-1-butanol 66 97 -31.9% 78 121 -34.8%
4-Methyl-2-pentanol 57 75 -23.2% 67 96 -29.4%
Pentanol 66 103 -35.1% 79 130 -38.6%
2-Ethyl-1-butanol 61 76 -19.2% 72 101 -28.3%
Monochlorides
Methyl chloride 2 0 3821.5% 2 0 320.8%
Vinyl chloride 7 3 94.6% 9 6 44.5%
Ethyl chloride 18 5 220.2% 22 10 114.0%
2-Chloropropane 27 26 5.7% 34 35 -4.7%
Allyl chloride 32 30 5.9% 40 44 -9.6%
1-Chloropropane 43 24 78.3% 52 38 36.9%
2-Chloro-2-methylpropane  46 37 23.7% 54 52 3.6%
1-Chlorobutane 51 72 -28.1% 61 88 -30.4%
2-Chloro-2-methylbutane 46 58 -20.2% 55 79 -30.3%
1-Chloropentane 52 74 -29.1% 62 96 -35.6%
Chlorocyclopentane   77     106  
Chlorobenzene 72 107 -32.6% 83 131 -36.3%
1-Chlorohexane 53 77 -30.6% 62 95 -35.1%
o-Chlorotoluene 65 102 -35.3% 76 122 -37.5%
1-Chloroheptane 49 81 -39.7% 56 101 -44.1%
3-(Chloromethyl) heptane 42 63 -33.1% 48 80 -40.1%
Dichlorides
Dichloromethane 21 10 111.8% 28 15 77.8%
trans-1,2-Dichloroethylene 35 33 7.5% 44 50 -12.1%
1,1-Dichloroethane 29 23 24.4% 35 40 -10.4%
cis-1,2-Dichloroethylene 40 29 36.5% 50 42 19.2%
1,2-Dichloroethane 48 54 -10.7% 60 79 -24.3%
1,2-Dichloropropane 55 65 -14.0% 67 90 -25.6%
cis-1,2-Dichloropropene   85     110  
trans-1,2-Dichloropropene   108     129  
1,4-Dichlorobutane 54 109 -49.9% 64 132 -51.3%
o-Dichlorobenzene 70     81    
Trichlorides
Chloroform 42 33 27.7% 52 52 0.0%
Methyl chloroform 48 40 19.3% 57 58 -1.8%
Trichloroethylene 56 55 2.7% 68 83 -17.7%
1,1,2-Trichloroethane 65 71 -9.4% 77 112 -30.4%
1,2,3-Trichloropropane 69 111 -37.5% 81 132 -38.2%
Tetrachlorides
Carbon tetrachloride 51 77 -33.1% 61 90 -31.5%
Perchloroethylene 65 107 -38.5% 77 129 -40.0%
1,1,2,2-Tetrachloroethane 69 104 -33.2% 81 131 -37.7%
Pentachlorides
Pentachloroethane 63 93 -31.5% 73 117 -36.8%
Acetates
Methyl acetate 27 32 -14.9% 36 46 -22.3%
Vinyl acetate 39 55 -27.8% 49 81 -39.0%
Ethyl acetate 43 66 -35.1% 53 84 -37.1%
Isopropyl acetate 47 64 -26.8% 56 85 -34.2%
Isopropenyl acetate   80     106  
Propyl acetate 51 78 -34.6% 61 99 -37.9%
Allyl acetate   75     95  
sec-Butyl acetate   82     101  
Butyl acetate 53 77 -31.1% 62 96 -35.7%
Isopentyl acetate 51 70 -26.9% 59 88 -32.3%
1,3-Dimethylbutyl acetate   60     76  
Pentyl acetate 52 72 -28.2% 60 87 -31.2%
Hexyl acetate 48 67 -28.2% 55 85 -35.4%
Ketones
Acetone 23 37 -37.7% 30 46 -33.4%
2-Butanone 42 81 -48.2% 52 94 -43.9%
2-Pentanone 52 104 -49.8% 62 121 -48.0%
3-Pentanone 53 93 -43.3% 63 114 -44.0%
4-Methyl-2-pentanone 53 96 -44.8% 62 111 -43.7%
Mesityl oxide 61 122 -49.8% 72 139 -48.2%
Cyclopentanone 68 141 -51.5% 83 161 -48.3%
2,4-Pentanedione 65 130 -49.7% 78 144 -45.7%
3-Heptanone 54 91 -40.1% 63 105 -39.7%
2-Heptanone 47 101 -53.4% 54 114 -52.1%
Cyclohexanone 68 126 -45.3% 81 144 -43.1%
5-Methyl-3-heptanone   86     99  
3-Methylcyclohexanone   100     123  
Diisobutyl ketone 46 70 -34.8% 52 83 -37.0%
4-Methylcyclohexanone   111     126  
Alkanes
Pentane 30 60 -49.4% 37 71 -48.1%
2,3-Dimethylbutane 38 72 -46.3% 45 81 -43.8%
Hexane 40 52 -21.9% 48 64 -25.6%
Methylcyclopentane 45 62 -27.3% 53 76 -29.5%
Cyclohexane 49 68 -28.3% 58 82 -29.0%
2,2,4-Trimethylpentane 42 68   48 80  
Heptane 45 78 -33.3% 52 89 -34.3%
Methylcyclohexane 51 68 -34.7% 59 80 -33.8%
1,3,5-Cycloheptatriene   121     136  
2,2,5-Trimethylhexane 42 67 -64.8% 48 80 -64.4%
5-Ethylidene-2-norbornene   86     101  
Cyclooctane 46 96 -46.8% 53 113 -47.4%
Nonane 44 76 -53.7% 51 89 -54.7%
Decane 42 70 -44.3% 48 81 -46.2%
Amines
Methylamine 1 12 -89.5% 2 17 -88.8%
Dimethylamine 10 17 -40.3% 13 21 -37.7%
Ethylamine 18 40 -53.3% 24 49 -51.4%
Isopropylamine 23 65 -63.5% 30 75 -60.2%
Propylamine 29 90 -66.7% 37 111 -66.0%
Diethylamine 41 88 -52.8% 49 105 -52.5%
Butylamine 47 110 -56.9% 57 125 -54.0%
Triethylamine 45 81 -43.4% 53 91 -41.2%
Dipropylamine 50 93 -45.8% 58 105 -44.1%
Diisopropylamine 44 77 -42.4% 51 87 -40.8%
Cyclohexylamine 59 112 -47.2% 69 128 -45.9%
Dibutylamine 47 75 -36.8% 54 84 -35.7%
Miscellaneous
Methyl iodide 39 11 241.3% 49 17 179.6%
Acrylonitrile 72 48 50.1% 90 61 48.7%
Dibromomethane 73 82 -10.4% 89 121 -26.1%
Pyridine 71 119 -39.5% 87 >134 -34.9%
Epichlorohydrin 67 85 -20.9% 84 110 -23.4%
2-Methoxyethanol   116     145  
1,2-Dibromoethane 76 >141 -45.8% 91 165 -44.8%
1-Nitropropane 65 143 -54.3% 80 164 -50.8%
2-Ethoxyethanol 67 77 -12.5% 81 123 -33.4%
Acetic anhydride 67 124 -45.2% 83 138 -39.6%
2-Methoxyethyl acetate 60 93 -35.0% 71 113 -36.5%
Bromobenzene 73 142 -48.1% 84 159 -46.6%
2-Ethoxyethyl acetate 56 79 -28.8% 66 96 -31.6%


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