APPENDINCES - properties such as high thermal stability and less corrosive. In view of the abov

AppendicesI:SimulationDataofC02SolubilityfromCOSMO-RSfor[Bmim][TF2N]

NrCompoundIog10(x_sol)In(gamma)C02mol% 11-butyl-3-methyl-imi0,00,0 2tf2nanion0,00,0 3co2-2,64869639-0,413741660,002245GasSolubilityatT=298.15Kandp=9.55000kPaatgivenconcentrationXS={0.50.50.0}-job1GasSolubilityatT=298.15Kandp=49.35000kPaatgivenconcentrationXS={0.50.50.0}

NrCompoundIog10(x_sol)In(gamma)C02mol% 11-butyl-3-methyl-imi0,00,0 2tf2nanion0,00,0 3co2-1,93726258-0,409614810,011554GasSolubilityatT=298.15Kandp=49.35000kPaatgivenconcentrationXS={0.50.50.0}-job2GasSolubilityatT=298.15Kandp=99.05000kPaatgivenconcentrationXS={0.50.50.0}

NrCompoundlog10(xsol)In(gamma)C02mol% 11-butyl-3-methyMmi0,00,0 2tf2nanion0,00,0 3co2-1,63661586-0,405462220,023088 GasSolubilityatT=298.15Kandp99.05000kPaatgivenconcentrationXS={0.50.50.0}-job3 GasSolubilityatT=298.15Kand3=397.05000kPaatgivenconcentrationXS={0.50.50.0}

NrCompoundIog10(x_sol)In(gamma)C02mol% 11-butyl-3-methyMmi0,00,0 2tf2nanion0,00,0 3co2-1,04438561-0,380615840,090285GasSolubilityatT=298.15Kandp=397.05000kPaatgivenconcentrationXS={0.50.50.0}-job4GasSolubilityatT=298.15Kandp=696.00000kPaatgivenconcentrationXS={0.50.50.0}

NrCompoundIog10(xsol)In(gamma)C02mol% 11-butyl-3-methyl-imi0,00,0 2tf2nanion0,00,0 3co2-0,81136471-0,355848850,154396GasSolubilityatT=298.15Kandp=696.00000kPaatgivenconcentrationXS={0.50.50.0}-job5GasSolubilityatT=298.15Kandp=994.35000kPaatgivenconcentrationXS={0.50.50.0}

NrCompoundlog10(xsol)In(gamma)C02mol% 11-butyl-3-methyMmi0,00,0

2tf2nanion0,00,0 3co2-0,66708326-0,331340570,215237GasSolubilityatT=298.15Kandp=994.35000kPaatgivenconcentrationXS={0.50.50.0}-job6GasSolubilityatT=298.15Kandp=1287.82000kPaatgivenconcentrationXS={0.50.50.0}

NrCompoundIog10(xsol)In(gamma)C02mol% 11-butyl-3-methyMmi0,00,0 2tf2nanion0,00,0 3co2-0,56513213-0,307470730,272187GasSolubilityatT=298.15Kandp=1287.82000kPaatgivenconcentrationXS={0.50.50.0}-job7GasSolubilityatT=298.15Kandp=1490.75000kPaatgivenconcentrationXS={0.50.50.0}

NrCompoundIog10(xsol)In(gamma)C02mol% 11-butyl-3-methyl-imi0,00,0 2tf2nanion0,00,0 3co2-0,50869911-0,291088270,309957GasSolubilityatT=298.15Kandp=1490.75000kPaatgivenconcentrationXS={0.50.50.0}-job8GasSolubilityatT=298.15Kandp=1987.30000kPaatgivenconcentrationXS={0.50.50.0}

NrCompoundlog10(xsol)In(gamma)C02mol% 11-butyl-3-methyMmi0,00,0 2tf2nanion0,00,0 3co2-0,40093678-0,25172750,397249

GasSolubilityatT=298.15Kandp=1987.30000kPaatgivenconcentrationXS={0.50.50.0}-job9

AppendicesH:SimulationDataofC02SolubilityfromCOSMO-RSfor[Bmim][Ac]

NrCompoundIog10(xsol)In(gamma)C02mol% 1co2-2,64268496-0,362225240,002278

2acetateanion0,00,0 31-butyl-3-methyI-imi0,00,0GasSolubilityatT=298.15Kandp=10.20000kPaatgivenconcentrationXS={0.00.50.5}-joblGasSolubilityatT=298.15Kandp=50.30000kPaatgivenconcentrationXS={0.00.50.5}

NrCompoundIog10(x_sol)In(gamma)C02mol% 1co2-1,95191622-0,35695410,011171

2acetateanion0,00,0 31-butyl-3-methyl-imi0,00,0GasSolubilityatT=298.15Kandp=50.30000kPaatgivenconcentrationXS={0.00.50.5}-job2GasSolubilityatT-298.15Kandp=100.30000kPaatgivenconcentrationXS={0.00.50.5}

NrCompoundIoq10(xsol)In(gamma)C02mol% 1co2-1,65530892-0,349884370,022115

2acetateanion0,00,0 31-butyl-3-methyl-imi0,00,0GasSolubilityatT=298.15Kandp=100.30000kPaatgivenconcentrationXS={0.00.50.5}-job3GasSolubilityatT=298.15Kandp=399.40000kPaatgivenconcentrationXS={0.00.50.5}

NrCompoundIog10(xsol)In(gamma)C02mol% 1co2-1,07293306-0,308956080,084541 2acetateanion0,00,0 31-butyl-3-methyl-imi0,00,0 GasSolubilityatT=298.15Kandp=399.40000kPaatgivenconcentrationXS={0.00.50.5}-job4 GasSolubilityatT=298.15Kand]3=700.10000kPaatgivenconcentrationXS={0.00.50.5}

NrCompoundIog10(xsol)In(gamma)C02mol% 1co2-0,84626831-0,269621390,142473

2acetateanion0,00,0 31-butyl-3-methyl-imi0,00,0 GasSolubilityatT=298.15Kandp700.10000kPaatqivenconcentrationXS={0.00.50.5}-job5

GasSolubilityatT=298.15Kand

| a=999.60000kPaatgivenconcentrationXS={0.00.50.5}

NrCompoundIog10(xsol)In(gamma)C02mol% 1co2-0,70797253-0,23192890,195897 2acetateanion0,00,0 31-butyl-3-methyMmi0,00,0GasSolubilityatT=298.15Kandp=999.60000kPaatgivenconcentrationXS={0.00.50.5}-job6GasSolubilityatT=298.15Kandp=1300.20000kPaatgivenconcentrationXS={0.00.50.5}

NrCompoundIog10(xsol)In(gamma)C02mol% 1co2-0,60926304-0,196285670,245888 2acetateanion0,00,0 31-butyl-3-methyMm0,00,0GasSolubilityatT=298.15Kandp=1300.20000kPaatgivenconcentrationXS={0.00.50.5}-job7GasSolubilityatT=298.15Kandp=1500.00000kPaatgivenconcentrationXS={0.00.50.5}

NrCompoundIog10(xsol)In(gamma)C02mol% 1co2-0,55710763-0,17344430,277263 2acetateanion0,00,0 31-butyl-3-methyl-imi0,00,0

GasSolubilityatT=298.15Kandp

= =

1500.00000kPaatgivenconcentrationXS={0.00.50.5}-iob8GasSolubilityatT=298.15Kandp=1999.40000kPaatgivenconcentrationXS={0.00.50.5}

NrCompoundIog10(xsol)In(gamma)C02mol% 1co2-0,455622-0,119731180,35025

2acetateanion0,00,0 31-butyl-3-methyl-im0,00,0 GasSolubilityatT=298.15Kandp==1999.40000kPaatgivenconcentrationXS={0.00.50.5}-job9

AppendicesHI:SimulationDataofInteractionEnergyfromCOSMO-RSfor[Bmim][TF2N]

NrCompoundmuIog10(p)ECOSMO+dE+MuHintHMFHHBHvdWE_RingP(Pa)

1co2-6,644774,25507-495306,52512-6,606234,177930,0-10,784160,017992,0 21-butyl-3-methyl-imi-9,99519-30,97625-1111468,4753-22,2767515,44102-2,38983-36,64589-4,21235

3tf2nanion-3,63827-29,91091-4798440,6659-20,052713,47894-2,38646-32,43170,0CompoundpropertiesatT=298.15Kinmixturex(1)=0.0022x(2)=0.4989x(3)=0.4989-energiesareinkJ/mol-pressureisinkPa-areaisinnmA2-volumeisin

nmA3-job1

Molecule/ConformerpropertiesatT=298.15Kinmixturex(1)=0.0022x(2)=0.4989x(3)=0.4989

NrCompoundmuIog10(p)ECOSMO+dE+MuHintH_MFHHBHvdWERingP 1co2-6,63854,25617-495306,51884-6,603164,175920,0-10,779080,018037,0 21-butyl-3-methyl-imi-10,01162-30,97913-1111468,49173-22,2774415,43361-2,38483-36,64465-4,21235

3tf2nanion-3,63022-29,9095-4798440,65785-20,0387813,47688-2,38153-32,421110,0

Compoundpropertiesal

innmA3-iob1 T=298.15<inmixturex(')=0.0116x(2)=0.4942x(3)=0.4942-energiesareinkJ/mol-pressureisinkPa-areaisinnmA2-volumeis

Molecule/ConformerpropertiesatT=298.15Kinmixturex(1)=0.0116x(2)=0.4942x(3)=0.4942

NrCompoundmuIog10(p)ECOSMO+dE+MuHJntHMFHHBHvdWERingP 1co2-6,628164,25798-495306,50851-6,598774,173650,0-10,772420,018113,0

21-butyl-3-methyl-imi-10,04063-30,98421-1111468,52074-22,2817615,42097-2,37932-36,6425-4,21235

3tf2nanion-3,60142-29,90446-4798440,62905-20,0178913,47827-2,37613-32,407430,0

CompoundpropertiesatT=298.15innmA3-job1 <inmixturex(1)=0.0231x(2)=0.4885x(3)=0.4885-energiesareinkJ/mol-pressureisinkPa-areaisinnmA2-volumeis

Molecule/ConformerpropertiesatT=298.15Kinmixturex(1)=0.0231x(2)=0.4885x(3)=0.4885

NrCompoundmuIog10(p)ECOSMO+dE+MuHintHMFHHBHvdWE__Ring

1co2-6,567144,26867-495306,44748-6,571634,15950,0-10,731130,0 21-butyl-3-methyl-im-10,22101-31,01581-1111468,70111-22,3073115,34316-2,3446-36,62903-4,21235

3tf2nanion-3,4315-29,87469-4798440,45913-19,8884813,48602-2,34154-32,323130,0CompoundpropertiesatT=298.15Kinmixturex(1)=0.0903x(2)=0.4549x(3)=0.4549-energiesareinkJ/mo!-pressureisinkPa-areaisinnmA2-volumeisinnmA3-job1Molecule/ConformerpropertiesatT=298.15Kinmixturex(1)=0.0903x(2)=0.4549x(3)=0.4549|

NrCompoundmuIog10(p)ECOSMO+dE+MuHintHMFHHBHvdWE_Ring

1co2-6,505984,27938-495306,38632-6,542744,144550,0-10,687290,0

21-butyl-3-methyl-imi-10,41719-31,05018-1111468,8973-22,3340115,26097-2,3078-36,61467-4,21235

3tf2nanion-3,25382-29,84356-4798440,28145-19,7504113,49512-2,30462-32,233980,0 CompoundpropertiesatT=298.15Kinmixturex(1innmA3-job1 )=0.1544x(2)=0.4228x(3)=0.4228-energiesareinkJ/mol-pressureisinkPa-areaisinnmA2-volumeis

Molecule/ConformerpropertiesatT=298.15Kinmixturex(1)=0.1544x(2)=0.4228x(3)=0.4228

NrCompoundmuIog10(p)ECOSMO+dE+MuHintHMFHHBHvdWE_Ring

1co2-6,445064,29006-495306,3254-6,512124,12880,0-10,640920,0 21-butyl-3-methyl-imi-10,63153-31,08773-1111469,11164-22,3622115,17389-2,26883-36,59933-4,21235 3tf2nanion-3,06687-29,81081-4798440,0945-19,6031813,50627-2,26547-32,140110,0 CompoundpropertiesatT=298.15Kinmixturex(1innmA3-job1 )=0.2152x(2)=0.3924x(3)=0.3924-energiesareinkJ/mol-pressureisinkPa-areaisinnmA2-volumeis

Molecule/ConformerpropertiesatT=298.15Kinmixturex<1)=0.2152x(2)=0.3924x(3)=0.3924

NrCompoundmuIog10(p)ECOSMO+dE+MuHintHMFHHBHvdWE_Ring 1co2-6,386194,30037-495306,26654-6,480284,112440,0-10,592720,0 21-butyl-3-methyl-im-10,85811-31,12742-1111469,33822-22,3902215,08438-2,22793-36,58351-4,21235

3tf2nanion-2,88045-29,77814-4798439,90807-19,4497913,51823-2,22448-32,042850,0CompoundpropertiesatT=298.15Kinmixturex(1)=0.2722x(2)=0.3639x(3)=0.3639-energiesareinkJ/mol-pressureisinkPa-areaisinnmA2-volumeis

innmA3-job1Molecule/ConformerpropertiesatT=298.15Kinmixturex(1)=0.2722x(2)=0.3639x(3)=0.3639

NrCompoundmuIog10(p)ECOSMO+dE+MuHintHMFHHBHvdWE_Ring

1co2-6,345624,30748-495306,22597-6,457154,100590,0-10,557740,0 21-butyl-3-methyl-imi-11,02641-31,15691-1111469,50652-22,4104515,01942-2,1982-36,57196-4,21235

3tf2nanion-2,7455-29,7545-4798439,77312-19,3376613,52787-2,19464-31,972510,0

CompoundpropertiesatT=298.15Kinmixturex('

innmA3-job1 )=0.3100x(2)=0.3450x(3)=0.3450-energiesareinkJ/mol-pressureisinkPa-areaisinnmA2-volumeis

Molecule/ConformerpropertiesatT=298.15Kinmixturex(1)=0.3100x(2)=0.3450x(3)=0.3450

NrCompoundmuIog10(p)ECOSMO+dE+MuHintHMFHHBHvdWERing

1co2-6,247834,32461-495306,12817-6,396414,069590,0-10,4660,0 21-butyl-3-methyl-imi-11,47846-31,23611-1111469,95857-22,4615614,8504-2,11963-36,54171-4,21235 3tt2nanion-2,40072-29,6941-4798439,42835-19,0414713,5556-2,11579-31,788990,0CompoundpropertiesatT=298.15Kinmixturex(1

innmA3-job1 )=0.3972x(2)=0.3014x(3)=0.3014-energiesareinkJ/mol-pressureisinkPa-areaisinnmA2-volumeis

Molecule/ConformerpropertiesatT=298.15Kinmixturex(1)=0.3972x(2)=0.3014x(3)=0.3014

AppendicesIV:SimulationDataofInteractionEnergyfromCOSMO-RSfor[Bmim][Ac]

NrCompoundmuIog10(p)ECOSMO+dE+MuHintH_MFHHBHvdWE_Ring

1co2-6,412874,2957-495306,29321-6,485475,957760,0-12,443220,0 21-butyl-3-methyl-imi-5,70807-30,22517-1111464,18818-29,7465733,46829-21,86356-41,83054-4,21235

3acetateanion14,10321-45,52693-600464,50646-23,0275316,25708-21,81127-17,473340,0 CompoundpropertiesatT=298.15Kinmixturex(1innmA3-job1 )=0.0023x(2)=0.4989x(3)=0.4989-energiesareinkJ/mol-pressureisinkPa-areaisinnmA2-volumeis

Molecule/ConformerpropertiesatT=298.15Kinmixturex(1)=0.0023x(2)=0.4989x(3)=0.4989

NrCompoundmuIog10(p)ECOSMO+dE+MuHintHMFH_HBHvdWERing 1co2-6,407814,29658-495306,28815-6,486085,946110,0-12,43220,0 21-butyl-3-methyl-imi-5,77924-30,23764-1111464,25935-29,7772533,39423-21,84563-41,80622-4,21235

3acetateanion14,16293-45,51647-600464,44675-23,01316,26184-21,80484-17,470,0 CompoundpropertiesatT=298.15innmA3-job1 <inmixturex(1)=0.0112x(2)=*0.4944x(3)=0.4944-energiesareinkJ/mol-pressureisinkPa-areaisinnmA2-volumeis

Molecule/ConformerpropertiesatT=298.15Kinmixturex(1)=0.0112x(2)=0.4944x(3)=0.4944

NrCompoundmuIog10(p)ECOSMO+dE+MuHintHMFHHBHvdWERing 1co2-6,391174,2995-495306,27152-6,485955,932060,0-12,418010,0 21-butyl-3-methyl-imi-5,89927-30,25867-1111464,37938-29,8222633,30105-21,8312-41,7737-4,21235 3acetateanion14,28078-45,49582-600464,3289-22,9826716,27131-21,78822-17,465750,0

CompoundpropertiesatT=298.15innmA3-job1 <inmixturex(')=0.0221x(2)=0.4889x(3)=0.4889-energiesareinkJ/mol-pressureisinkPa-areaisinnmA2-volumeis

Molecule/ConformerpropertiesatT=298.15Kinmixturex(1)=0.0221x(2)=0.4889x(3)=0.4889

NrCompoundmuIog10(p)ECOSMO+dE+MuHintH_MFHHBHvdWERing

1co2-6,295134,31632-495306,17547-6,48445,848140,0-12,332550,0 21-butyl-3-methyl-imi-6,5853-30,37886-1111465,06541-30,0865932,7417-21,73615-41,58133-4,21235 3acetateanion14,95563-45,37759-600463,65405-22,8103416,32419-21,69453-17,440,0CompoundpropertiesatT=298.15Kinmixturex(1)=0.0845x(2)=0.4577x(3)=0.4577-energiesareinkJ/mol-pressureisinkPa-areaisinnmA2-volumeis

innmA3-job1Molecule/ConformerpropertiesatT=298.15Kinmixturex(1)=0.0845x(2)=0.4577x(3)=0.4577

NrCompoundmuIog10(p)ECOSMO+dE+MuH_intHMFHHBHvdWE_Ring 1co2-6,202884,33248-495306,08322-6,479995,765320,0-12,245310,0 21-butyl-3-methyl-imi-7,28134-30,5008-1111465,76145-30,3460932,18439-21,63836-41,38909-4,21235

3acetateanion15,62993-45,25946-600462,97975-22,6325416,37924-21,59825-17,413530,0CompoundpropertiesatT=298.15Kinmixturex(1)=0.1425x(2)=0.4288x(3)=0.4288-energiesareinkJ/mol-pressureisinkPa-areaisinnmA2-volumeis

innmA3-job1Molecule/ConformerpropertiesatT=298.15Kinmixturex(1)=0.1425x(2)=0.4288x(3)=0.4288

NrCompoundmuIog10(p)ECOSMO+dE+MuH_intHMFHHBHvdWE_Ring 1co2-6,11454,34797-495305,99485-6,472655,684410,0-12,157070,0 21-butyl-3-methyl-imi-7,98375-30,62386-1111466,46386-30,5988231,63433-21,53928-41,19869-4,21235

3acetateanion16,30157-45,14179-600462,3081-22,4499916,43638-21,49979-17,386580,0

CompoundpropertiesatT=298.15Kinmixturex('

innmA3-job1 )=0.1959x(2)=0.4021x(3)=0.4021-energiesareinkJ/mol-pressureisinkPa-areaisinnmA2-volumeis

Molecule/ConformerpropertiesatT=298.15Kinmixturex(1)=0.1959x(2)=0.4021x(3)=0.4021

Dalam dokumen properties such as high thermal stability and less corrosive. In view of the above research, this project is actively considering the ionic liquids as a promising alternative technique. Ionic (Halaman 52-64)