Investigation of the performance of biocompatible gas hydrate inhibitors via combined experimental and DFT methods

Sloan, 2003, Nature, 426, 353, 10.1038/nature02135 Chapoy, 2012, J. Chem. Thermodyn., 48, 7, 10.1016/j.jct.2011.12.031 Ludwig, 2001, Angew. Chem. Int. Ed., 40, 1808, 10.1002/1521-3773(20010518)40:10<1808::AID-ANIE1808>3.0.CO;2-1 Tohidi, 2012, Energy Fuels, 26, 4053, 10.1021/ef3002179 Demirbas, 2010 Mohamed, 2014 Anderson, 1986, AIChE J., 32, 1321, 10.1002/aic.690320810 Lafond, 2012, J. Chem. Thermodyn., 48, 1, 10.1016/j.jct.2011.12.023 Kelland, 2006, Energy Fuels, 20, 825, 10.1021/ef050427x Perfeldt, 2014, Energy Fuels, 28, 3666, 10.1021/ef500349w Mokhatab, 2006 Giavarini, 2011, Hydrates seen as a problem for oil and gas industry, 97 Tohidi, 2015, Energy Fuels, 29, 8254, 10.1021/acs.energyfuels.5b01794 Tariq, 2014, Ind. Eng. Chem. Res., 53, 17855, 10.1021/ie503559k Petkovic, 2011, Chem. Soc. Rev., 40, 1383, 10.1039/C004968A Tariq, 2015, Energy Fuels The world’s Biggest Natural Gas Reserves (12th Nov 2013), Hydrocarbons-technology.com (retrieved on 15th January 2016). Tohidi, 2000, Ann. NY. Acad. Sci., 912, 924, 10.1111/j.1749-6632.2000.tb06846.x Semenov, 2015, Chem. Eng. Sci., 137, 161, 10.1016/j.ces.2015.06.031 Daraboina, 2013, Fuel, 108, 749, 10.1016/j.fuel.2013.02.018 Lone, 2013, Energy Fuels, 27, 2536, 10.1021/ef400321z Mady, 2014, Chem. Eng. Sci., 119, 230, 10.1016/j.ces.2014.08.034 Atilhan, 2014, J. Mol. Model., 20, 1, 10.1007/s00894-014-2182-z Grimme, 2006, J. Comput. Chem., 27, 1787, 10.1002/jcc.20495 Lin, 2013, J. Chem. Theory Comput., 9, 263, 10.1021/ct300715s García, 2015, Phys. Chem. Chem. Phys., 17, 26875, 10.1039/C5CP04283F Neese, 2012, WIREs Comput. Mol. Sci., 2, 73, 10.1002/wcms.81 Simon, 1996, J. Chem. Phys., 105, 11024, 10.1063/1.472902 Keshavarz, 2013, Fluid Phase Equilib., 354, 312, 10.1016/j.fluid.2013.05.007 Tumba, 2011, J. Chem. Eng. Data, 56, 3620, 10.1021/je200462q Haghighi, 2009, Fluid Phase Equilib., 278, 109, 10.1016/j.fluid.2009.01.009 Mohammadi, 2010, Ind. Eng. Chem. Res., 49, 925, 10.1021/ie901357m Ng, 1985, Fluid Phase Equilib., 21, 145, 10.1016/0378-3812(85)90065-2 Othman, 2014 HYDRAFLASH® URL: <http://www.hydrafact.com/index.php?page=software> (last retrieved on 15th January 2016). Sa, 2014, Phys. Chem. Chem. Phys., 16, 26730, 10.1039/C4CP05056H Walker, 2015, Can. J. Chem., 93, 839, 10.1139/cjc-2014-0538 Østergaard, 2005, J. Petrol. Sci. Eng., 48, 70, 10.1016/j.petrol.2005.04.002 Joshi, 2013, Int. J. Energy Environ. Eng., 4, 11, 10.1186/2251-6832-4-11 Arjmandi, 2007, J. Chem. Eng. Data, 52, 2153, 10.1021/je700144p Nockemann, 2009, J. Phys. Chem. B, 113, 1429, 10.1021/jp808993t Ramya, 2012, J. Phys. Chem. A, 116, 7742, 10.1021/jp304229p Costa, 2012, J. Phys. Chem. B, 116, 9186, 10.1021/jp3053168 Pal, 2013, J. Chem. Sci., 125, 1259, 10.1007/s12039-013-0470-2 Jendi, 2016, Phys. Chem. Chem. Phys., 18, 10320, 10.1039/C5CP06530E Jendi, 2015, Cryst. Growth Des., 15, 5301, 10.1021/acs.cgd.5b00829 Jendi, 2015, Mol. Sim., 41, 572, 10.1080/08927022.2014.899698 Liu, 2013, J. Comput. Chem., 34, 121, 10.1002/jcc.23112 Kumar, 2014, Comput. Theor. Chem., 1029, 26, 10.1016/j.comptc.2013.12.009 Vidal-Vidal, 2015, Phys. Chem. Chem. Phys., 17, 10.1039/C4CP04962D Pal, 2015, Ser. Mater. Sci. Eng., 73, 012081 Pal, 2015, J. Clust. Sci., 26, 551, 10.1007/s10876-014-0826-x English, 2015, Chem. Eng. Sci., 121, 133, 10.1016/j.ces.2014.07.047 García, 2015, S. Aparicio, Phys. Chem. Chem. Phys., 17, 13559, 10.1039/C5CP00076A Ramya, 2012, J. Chem. Phys., 136, 174305, 10.1063/1.4707933 Grimme, 2007, Org. Biomol. Chem., 5, 741, 10.1039/B615319B Sloan, 2008