Rarey-Nannoolal - Estimation of Liquid Viscosity (Reference Temperature) ------------------------------------------------------------------------ Parameters (revised and extended - 2012-01-18) Original Download Location: http://www.ddbst.com/ChemThermo/default.html A detailed description of the method and calculation examples are given in Nannoolal Y., Rarey J., Ramjugernath D. (2009) Fluid Phase Equilib., 281 (2), 97 119. Further examples can be found in Gmehling, Jürgen, Kolbe, Bärbel, Kleiber, Michael, Rarey, Jürgen Chemical Thermodynamics for Process Simulation 1. Edition - February 2012 - Textbook - ISBN-10: 3-527-31277-3 ISBN-13: 978-3-527-31277-1 - Wiley-VCH, Weinheim Text in §...§ is used as short group name. 1) Equation Parameters a,b,c,d,e 21.8444 0.9315 0.6577 4.9259 231.1361 2) Group Contribution Values (Group number - contribution - group name abbreviation) 1 89.080270 CH3_na_ne 2 216.022600 CH3_na_e 3 80.969840 CH3_a 4 60.331550 CH2_c 5 24.263660 CH_c 6 244.464300 C_c 7 103.410900 CH2/CH/C_c_e 8 -16.521180 CH2/CH/C_c_aC 9 174.131600 CH2_r 10 -37.758350 CH_r 11 252.019000 C_r 12 251.929900 CH2/CH/C_r_e 13 330.710000 CH2/CH/C_r_er 14 294.332300 CH2/CH/C_r_aC 15 113.902800 ACH_2an 16 -26.619520 ACH_2aC_ne 17 133.549900 ACH_2aC_e 18 128.473900 ACH_3an 19 208.325800 F_naCSi 20 0.000000 F_dbCSi 21 35.268770 F_4bC_1Fn 22 207.356200 F_C_1FCln 23 -15.854400 F_4bC_2FCln 24 112.117200 F_aC 25 329.011300 Cl_naCSi 26 313.110600 Cl_C_1FCln 27 194.606000 Cl_C_2FCln 28 -8.624698 Cl_aC 29 182.706700 Cl_dbC 30 456.371300 Br_naCSi 31 391.606000 Br_aC 32 499.214900 I_CSi 33 1199.401000 tOH_CSi 34 1198.104000 sOH_CSi 35 1078.084000 pOH_CSi 36 1284.745000 OH_CSi_short 37 1134.164000 OH_aC 38 -34.989200 Eth_O 39 612.722200 Epox 40 458.742500 pNH2_naCSi 41 705.125000 pNH2_aC 42 159.514600 sNH_Csi_c 43 -284.470700 tN_CSi 44 1446.024000 COOH 45 325.573600 Est_c 46 454.167100 F_acid_Est 47 374.647700 Est_r 48 289.969000 Am_2s_N 49 1150.829000 Am_1s_N 50 1619.165000 Am_0s_N 51 304.598200 Ket 52 394.793200 Aldeh 53 294.731900 Thio/Merc_C 54 206.643200 ThioEth 55 292.361300 diSU 56 302.232100 aThioeth 57 346.999800 Nitrile 58 -23.980070 db_C_cen 59 238.324200 db_C_cen_1aC 60 137.540800 db_C_center_e 61 74.448880 db_C_1n&? 62 304.925700 db_C_r 63 -32.417900 3b_2n? 64 57.813140 3b_C1n&C2n 65 279.211400 aO 66 662.005100 aN_5memr 67 277.503800 aN_6memr 68 369.422100 NO2_naC 69 488.113600 NO2_aC 70 -10.614570 Si 71 -181.762700 Si_C3 72 351.062300 Nitrate 73 -15.280140 Ph_3_Est 74 174.367200 Nitrite 75 1098.157000 Oxime 76 549.148100 Anhydr 77 394.577600 Acid_Cl 78 10.375220 B_Acid_3_Est 79 365.808100 CO_2_Est 80 164.890400 iso-Cyan 81 197.180600 iso-thio-Cyan 82 1297.756000 Sulfolane O=S=O 83 0.000000 St_4Cn 84 0.000000 As_2Cl_C 85 0.000000 Ge_C 86 35.467230 Ge_4Cn 87 0.000000 Cum_Die 88 495.514100 Conj_Die_r 89 551.925400 Conj_Die_c 90 490.722400 Aldeh_r 91 0.000000 sNH_Csi=_c 92 669.015800 Ket_r 93 256.507800 Si_C2 94 0.000000 O-O 95 0.000000 Conj_Diy 96 1787.039000 cAnhydr_db_ab 97 220.080300 sNH_CSi_r 98 229.413500 sNH_aCSi 99 0.000000 Carb 100 131.225300 Urea 101 0.000000 N_4C 102 53.250680 F_4bC_1Cln 103 288.414000 Cate 104 542.664100 SO4 105 714.049400 SO2N 106 0.000000 Imdz 107 797.227100 S=O 108 253.530300 CNthio 109 0.000000 Cbyl_N 110 -237.254500 tN_aC 111 0.000000 CNamide 112 0.000000 Phite 113 0.000000 P 114 0.000000 N=N 115 0.000000 azole 116 0.000000 Se 117 0.000000 Al 118 0.000000 1_2_diket 214 192.130300 §ACH_3an_1nabd§ 215 377.714600 Si_C1 216 806.812500 Si_C0 119 -180.368600 correction 120 0.000000 correction 121 241.896800 correction 122 138.655500 correction 123 -71.164700 old 124 -115.041800 old 125 -96.754390 old 126 -153.844200 old 127 -22.104090 old 128 24.783540 old 129 0.000000 old 130 224.243900 nu5 131 24.253930 n4_22 132 137.870800 n5 133 0.000000 n6 134 -54.178170 C=C-C=O correction 217 -726.429100 Si_Hal correction 3) Interaction Contributions Between Interaction Groups (interaction combination number - contribution - first interaction group "-" second interaction group - group name abbreviation) 135 -1313.569000 OH - OH §OH - OH§ 136 -41.960800 OH - NH2 §OH - NH2§ 137 -1868.606000 OH - NH §OH - NH§ 138 0-000000 OH - SH §OH - SH§ 139 0-000000 OH - COOH §OH - COOH§ 140 -643.437800 OH - EtherO §OH - EtherO§ 141 0-000000 OH - Epox §OH - Epox§ 142 0-000000 OH - Ester §OH - Ester§ 143 0-000000 OH - Ketone §OH - Ketone§ 144 0-000000 OH - Teth §OH - Teth§ 145 -345.784400 OH - CN §OH - CN§ 146 50.258180 OH - AO §OH - AO§ 147 0.000000 OH - AN6 §OH - AN6§ 148 -1146.107000 OH(a) - OH(a) §OH(a) - OH(a)§ 149 0.000000 OH(a) - NH2 §OH(a) - NH2§ 150 0.000000 OH(a) - COOH §OH(a) - COOH§ 151 -229.240600 OH(a) - EtherO §OH(a) - EtherO§ 152 0.000000 OH(a) - Ester §OH(a) - Ester§ 153 0.000000 OH(a) - Ketone §OH(a) - Ketone§ 154 0.000000 OH(a) - Alde §OH(a) - Alde§ 155 515.151100 OH(a) - Nitro §OH(a) - Nitro§ 156 0.000000 OH(a) - AN6 §OH(a) - AN6§ 157 86.724850 NH2 - NH2 §NH2 - NH2§ 158 0.000000 NH2 - NH §NH2 - NH§ 159 -57.143680 NH2 - EtherO §NH2 - EtherO§ 160 0.000000 NH2 - Ester §NH2 - Ester§ 161 0.000000 NH2 - Teth §NH2 - Teth§ 162 0.000000 NH2 - Nitro §NH2 - Nitro§ 163 0.000000 NH2 - AO §NH2 - AO§ 164 0.000000 NH2 - AN6 §NH2 - AN6§ 165 0.000000 NH - NH §NH - NH§ 166 54.202530 NH - EtherO §NH - EtherO§ 167 0.000000 NH - Ester §NH - Ester§ 168 0.000000 NH - Ketone §NH - Ketone§ 169 0.000000 NH - AN6 §NH - AN6§ 170 0.000000 SH - SH §SH - SH§ 171 0.000000 SH - Ester §SH - Ester§ 172 0.000000 COOH - COOH §COOH - COOH§ 173 0.000000 COOH - EtherO §COOH - EtherO§ 174 0.000000 COOH - Ester §COOH - Ester§ 175 0.000000 COOH - Ketone §COOH - Ketone§ 176 0.000000 OCN - OCN §OCN - OCN§ 177 0.000000 OCN - Nitro §OCN - Nitro§ 178 156.749500 EtherO - EtherO §EtherO - EtherO§ 179 0.000000 EtherO - Epox §EtherO - Epox§ 180 273.661600 EtherO - Ester §EtherO - Ester§ 181 -339.607100 EtherO - Ketone §EtherO - Ketone§ 182 1050.319000 EtherO - Alde §EtherO - Alde§ 183 0.000000 EtherO - Teth §EtherO - Teth§ 184 355.050800 EtherO - Nitro §EtherO - Nitro§ 185 0.000000 EtherO - CN §EtherO - CN§ 186 0.000000 EtherO - AO §EtherO - AO§ 187 0.000000 Epox - Epox §Epox - Epox§ 188 0.000000 Epox - Alde §Epox - Alde§ 189 167.720400 Ester - Ester §Ester - Ester§ 190 244.058300 Ester - Ketone §Ester - Ketone§ 191 0.000000 Ester - Nitro §Ester - Nitro§ 192 334.485600 Ester - CN §Ester - CN§ 193 0.000000 Ester - AO §Ester - AO§ 194 1985.827000 Ketone - Ketone §Ketone - Ketone§ 195 0.000000 Ketone - Alde §Ketone - Alde§ 196 0.000000 Ketone - Nitro §Ketone - Nitro§ 197 0.000000 Ketone - AtS §Ketone - AtS§ 198 0.000000 Ketone - CN §Ketone - CN§ 199 0.000000 Ketone - AO §Ketone - AO§ 200 0.000000 Ketone - AN6 §Ketone - AN6§ 201 0.000000 Alde - Alde §Alde - Alde§ 202 0.000000 Alde - Nitro §Alde - Nitro§ 203 0.000000 Alde - AtS §Alde - AtS§ 204 161.744700 Alde - AO §Alde - AO§ 205 0.000000 Teth - Teth §Teth - Teth§ 206 1839.263000 Nitro - Nitro §Nitro - Nitro§ 207 0.000000 AtS - CN §AtS - CN§ 208 0.000000 AtS - AN5 §AtS - AN5§ 209 718.126200 CN - AN6 §CN - AN6§ 210 0.000000 AO - AN5 §AO - AN5§ 211 0.000000 AN5 - AN5 §AN5 - AN5§ 212 0.000000 AN6 - AN6 §AN6 - AN6§ 4) Interaction Groups (name of interaction group - list of groups belonging to this interaction group) OH 33 34 35 36 OH(a) 37 NH2 40 41 NH 42 97 SH 53 COOH 44 OCN 80 EtherO 38 Epox 39 Ester 45 46 47 Ketone 51 92 Alde 52 90 Teth 54 Nitro 69 AtS 56 CN 57 AO 65 AN5 66 AN6 67