Rarey-Nannoolal - Estimation of Liquid Viscosity (Temperature Dependence) ------------------------------------------------------------------------- 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 -2.563524 0.06847539 3.777651 2) Group Contribution Values (Group number - contribution - group description) 1 0.0139133100 CH3_na_ne 2 0.0117001600 CH3_na_e 3 -0.0110660200 CH3_a 4 0.0021727280 CH2_c 5 0.0045877830 CH_c 6 0.0370296100 C_c 7 0.0213472800 CH2/CH/C_c_e 8 0.0059452450 CH2/CH/C_c_aC 9 0.0108799200 CH2_r 10 -0.0072202020 CH_r 11 0.1421976000 C_r 12 0.0610811100 CH2/CH/C_r_e 13 0.0287351000 CH2/CH/C_r_er 14 -0.0123456000 CH2/CH/C_r_aC 15 -0.0027839830 ACH_2an 16 0.0459403100 ACH_2aC_ne 17 0.0805124000 ACH_2aC_e 18 0.0374124100 ACH_3an 19 0.0051640280 F_naCSi 20 0.0000000000 F_dbCSi 21 0.0028323330 F_4bC_1Fn 22 0.0007128996 F_C_1FCln 23 -0.0363189100 F_4bC_2FCln 24 -0.0619433800 F_aC 25 0.0047579390 Cl_naCSi 26 0.0058227900 Cl_C_1FCln 27 0.0046555240 Cl_C_2FCln 28 -0.0673988500 Cl_aC 29 -0.0096209080 Cl_dbC 30 0.0005164079 Br_naCSi 31 -0.0181983800 Br_aC 32 -0.0173110000 I_CSi 33 0.3368834000 tOH_CSi 34 0.3658067000 sOH_CSi 35 0.2490118000 pOH_CSi 36 0.2188000000 OH_CSi_short 37 0.1608315000 OH_aC 38 -0.0353054900 Eth_O 39 0.0853692500 Epox 40 0.0589131400 pNH2_naCSi 41 0.0440698200 pNH2_aC 42 0.0136478500 sNH_Csi_c 43 -0.0587353900 tN_CSi 44 0.0547891200 COOH 45 0.0176757100 Est_c 46 0.0004267459 F_acid_Est 47 0.0476108900 Est_r 48 0.0126717100 Am_2s_N 49 0.1298293000 Am_1s_N 50 0.2022864000 Am_0s_N 51 0.0242523900 Ket 52 0.0184961000 Aldeh 53 0.0305021900 Thio/Merc_C 54 -0.0000275805 ThioEth 55 -0.0134613800 diSU 56 0.0185506900 aThioeth 57 0.0231459300 Nitrile 58 0.0095809390 db_C_cen 59 0.1522693000 db_C_cen_1aC 60 0.0185982500 db_C_center_e 61 0.0214559500 db_C_1n&? 62 0.0197835800 db_C_r 63 -0.1650071000 3b_2n? 64 0.0133585100 3b_C1n&C2n 65 0.0427958100 aO 66 0.1519493000 aN_5memr 67 0.0525900400 aN_6memr 68 -0.0343948000 NO2_naC 69 -0.0065625620 NO2_aC 70 -0.0255949900 Si 71 -0.0283942600 Si_C3 72 -0.0306155700 Nitrate 73 0.0459971700 Ph_3_Est 74 -0.0073298300 Nitrite 75 0.3698367000 Oxime 76 0.0163525400 Anhydr 77 -0.0026552880 Acid_Cl 78 -0.0612367700 B_Acid_3_Est 79 -0.0075066930 CO_2_Est 80 0.0041407960 iso-Cyan 81 -0.0465613400 iso-thio-Cyan 82 0.1226902000 Sulfolane O=S=O 83 0.0000000000 St_4Cn 84 0.0000000000 As_2Cl_C 85 0.0000000000 Ge_C 86 -0.0709713300 Ge_4Cn 87 0.0000000000 Cum_Die 88 0.0290984800 Conj_Die_r 89 0.1250861000 Conj_Die_c 90 -0.0142822500 Aldeh_r 91 0.0000000000 sNH_Csi=_c 92 -0.0085351570 Ket_r 93 0.0099036690 Si_C2 94 0.0000000000 O-O 95 0.0000000000 Conj_Diy 96 0.1020816000 cAnhydr_db_ab 97 0.0740519500 sNH_CSi_r 98 0.0436079100 sNH_aCSi 99 0.0000000000 Carb 100 0.0544769100 Urea 101 0.0000000000 N_4C 102 0.0057764920 F_4bC_1Cln 103 0.0956531400 Cate 104 0.0569133200 SO4 105 0.0647133200 SO2N 106 0.0000000000 Imdz 107 0.0229968700 S=O 108 0.0232472500 CNthio 109 0.0000000000 Cbyl_N 110 -0.0457262800 tN_aC 111 0.0000000000 CNamide 112 0.0000000000 Phite 113 0.0000000000 P 114 0.0000000000 N=N 115 0.0000000000 azole 116 0.0000000000 Se 117 0.0000000000 Al 118 0.0000000000 1_2_diket 119 0.0003041094 correction 120 0.0000000000 correction 121 -0.0061420040 correction 122 -0.0264635300 correction 123 -0.0149636300 old 124 -0.0259017400 old 125 -0.0573789300 old 126 -0.0212203800 old 127 -0.0201916800 old 128 -0.0345859700 old 129 0.0000000000 old 130 -0.1107391000 nu5 131 0.0024858560 n4_22 132 -0.0593669900 n5 133 0.0000000000 n6 134 0.0131413000 C=C-C=O correction 214 0.0375669200 §ACH_3an_1nabd§ 215 0.0646600100 Si_C1 216 0.0684951800 Si_C0 217 -0.0761630900 Si_Hal correction 3) Interaction Contributions Between Interaction Groups (interaction combination number - contribution - first interaction group - "-" second interaction group) 135 -0.11249390 OH - OH §OH - OH§ 136 1.03159200 OH - NH2 §OH - NH2§ 137 0.85323180 OH - NH §OH - NH§ 138 0.00000000 OH - SH §OH - SH§ 139 0.00000000 OH - COOH §OH - COOH§ 140 -0.42398340 OH - EtherO §OH - EtherO§ 141 0.00000000 OH - Epox §OH - Epox§ 142 0.00000000 OH - Ester §OH - Ester§ 143 0.00000000 OH - Ketone §OH - Ketone§ 144 0.00000000 OH - Teth §OH - Teth§ 145 -0.68301890 OH - CN §OH - CN§ 146 -0.55750790 OH - AO §OH - AO§ 147 0.00000000 OH - AN6 §OH - AN6§ 148 -1.18605000 OH(a) - OH(a) §OH(a) - OH(a)§ 149 0.00000000 OH(a) - NH2 §OH(a) - NH2§ 150 0.00000000 OH(a) - COOH §OH(a) - COOH§ 151 -0.33356380 OH(a) - EtherO §OH(a) - EtherO§ 152 0.00000000 OH(a) - Ester §OH(a) - Ester§ 153 0.00000000 OH(a) - Ketone §OH(a) - Ketone§ 154 0.00000000 OH(a) - Alde §OH(a) - Alde§ 155 -0.87806150 OH(a) - Nitro §OH(a) - Nitro§ 156 0.00000000 OH(a) - AN6 §OH(a) - AN6§ 157 0.13531830 NH2 - NH2 §NH2 - NH2§ 158 0.00000000 NH2 - NH §NH2 - NH§ 159 0.21997010 NH2 - EtherO §NH2 - EtherO§ 160 0.00000000 NH2 - Ester §NH2 - Ester§ 161 0.00000000 NH2 - Teth §NH2 - Teth§ 162 0.00000000 NH2 - Nitro §NH2 - Nitro§ 163 0.00000000 NH2 - AO §NH2 - AO§ 164 0.00000000 NH2 - AN6 §NH2 - AN6§ 165 0.00000000 NH - NH §NH - NH§ 166 -0.13446250 NH - EtherO §NH - EtherO§ 167 0.00000000 NH - Ester §NH - Ester§ 168 0.00000000 NH - Ketone §NH - Ketone§ 169 0.00000000 NH - AN6 §NH - AN6§ 170 0.00000000 SH - SH §SH - SH§ 171 0.00000000 SH - Ester §SH - Ester§ 172 0.00000000 COOH - COOH §COOH - COOH§ 173 0.00000000 COOH - EtherO §COOH - EtherO§ 174 0.00000000 COOH - Ester §COOH - Ester§ 175 0.00000000 COOH - Ketone §COOH - Ketone§ 176 0.00000000 OCN - OCN §OCN - OCN§ 177 0.00000000 OCN - Nitro §OCN - Nitro§ 178 0.13202750 EtherO - EtherO §EtherO - EtherO§ 179 0.00000000 EtherO - Epox §EtherO - Epox§ 180 0.04487021 EtherO - Ester §EtherO - Ester§ 181 -0.21952650 EtherO - Ketone §EtherO - Ketone§ 182 0.54658460 EtherO - Alde §EtherO - Alde§ 183 0.00000000 EtherO - Teth §EtherO - Teth§ 184 -0.05936352 EtherO - Nitro §EtherO - Nitro§ 185 0.00000000 EtherO - CN §EtherO - CN§ 186 0.00000000 EtherO - AO §EtherO - AO§ 187 0.00000000 Epox - Epox §Epox - Epox§ 188 0.00000000 Epox - Alde §Epox - Alde§ 189 0.96408400 Ester - Ester §Ester - Ester§ 190 0.12603800 Ester - Ketone §Ester - Ketone§ 191 0.00000000 Ester - Nitro §Ester - Nitro§ 192 0.53924010 Ester - CN §Ester - CN§ 193 0.00000000 Ester - AO §Ester - AO§ 194 3.70544000 Ketone - Ketone §Ketone - Ketone§ 195 0.00000000 Ketone - Alde §Ketone - Alde§ 196 0.00000000 Ketone - Nitro §Ketone - Nitro§ 197 0.00000000 Ketone - AtS §Ketone - AtS§ 198 0.00000000 Ketone - CN §Ketone - CN§ 199 0.00000000 Ketone - AO §Ketone - AO§ 200 0.00000000 Ketone - AN6 §Ketone - AN6§ 201 0.00000000 Alde - Alde §Alde - Alde§ 202 0.00000000 Alde - Nitro §Alde - Nitro§ 203 0.00000000 Alde - AtS §Alde - AtS§ 204 0.05010631 Alde - AO §Alde - AO§ 205 0.00000000 Teth - Teth §Teth - Teth§ 206 0.89636060 Nitro - Nitro §Nitro - Nitro§ 207 0.00000000 AtS - CN §AtS - CN§ 208 0.00000000 AtS - AN5 §AtS - AN5§ 209 -0.19663610 CN - AN6 §CN - AN6§ 210 0.00000000 AO - AN5 §AO - AN5§ 211 0.00000000 AN5 - AN5 §AN5 - AN5§ 212 0.00000000 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