COSMO-RS as a tool for property prediction of IL mixtures—A review

Fluid Phase Equilibria - Tập 294 - Trang 31-38 - 2010
Michael Diedenhofen1, Andreas Klamt1
1COSMOlogic GmbH & Co. KG, Burscheider Str. 515, Leverkusen, Germany

Tài liệu tham khảo

Endres, 2006, Phys. Chem. Chem. Phys., 8, 2101, 10.1039/b600519p

Heintz, 2005, J. Chem. Thermodyn., 37, 525, 10.1016/j.jct.2005.04.003

http://ilthermo.boulder.nist.gov.

Hanke, 2001, Mol. Phys., 99, 801, 10.1080/00268970010018981

Shah, 2002, Green Chem., 4, 112, 10.1039/b110725a

Spunger, 2007, J. Chem. Inf. Model, 47, 1123, 10.1021/ci7000428

Abraham, 2006, Green Chem., 8, 906, 10.1039/b606279b

Santiago, 2009, Fluid Phase Equilibria, 287, 54, 10.1016/j.fluid.2009.01.002

Alevizou, 2009, Fluid Phase Equilibria, 284, 99, 10.1016/j.fluid.2009.06.012

Klamt, 2005

Klamt, 1993, J. Chem. Soc., Perkin Trans., 2, 799, 10.1039/P29930000799

Ben Naim, 1987

Becke, 1988, Phys. Rev. A, 38, 3098, 10.1103/PhysRevA.38.3098

Perdew, 1986, Phys. Rev. B, 33, 8822, 10.1103/PhysRevB.33.8822

Eichkorn, 1997, Theor. Chem. Acc., 97, 119, 10.1007/s002140050244

TURBOMOLE V6.1 2009, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989–2007, 25 GmbH, since 2007; available from http://www.turbomole.com.

Eckert, 2006

Diedenhofen, 2003, J. Chem. Eng. Data, 48, 475, 10.1021/je025626e

Jork, 2005, J. Chem. Thermodyn., 37, 537, 10.1016/j.jct.2005.04.013

Banerjee, 2007, Ind. Eng. Chem. Res., 46, 1292, 10.1021/ie060647d

Banerjee, 2008, AIChE J., 54, 1874, 10.1002/aic.11495

Wu, 2003, J. Chem. Eng. Data, 48, 486, 10.1021/je0340093

Freire, 2008, Fluid Phase Equilibria, 268, 74, 10.1016/j.fluid.2008.04.009

Lei, 2006, Fluid Phase Equilibria, 241, 290, 10.1016/j.fluid.2005.12.024

Thormann, 2006, J. Chem. Inf. Model, 46, 1040, 10.1021/ci050464m

Palomar, 2008, Ind. Eng. Chem. Res., 47, 4523, 10.1021/ie800056q

Palomar, 2007, Ind. Eng. Chem. Res., 46, 6041, 10.1021/ie070445x

Diedenhofen, 2007, Phys. Chem. Chem. Phys., 9, 4653, 10.1039/b706728c

Banerjee, 2006, J. Chem. Eng. Data, 51, 2170, 10.1021/je0602925

Zhang, 2008, AIChE J., 54, 2717, 10.1002/aic.11573

Maiti, 2009, ChemSusChem, 2, 628, 10.1002/cssc.200900086

Ab Manan, 2009, J. Chem. Eng. Data, 54, 2005, 10.1021/je800857x

Sahandzhieva, 2006, J. Chem. Eng. Data, 51, 1516, 10.1021/je050474j

Domańska, 2006, J. Chem. Thermodyn., 38, 685, 10.1016/j.jct.2005.07.024

Domańska, 2006, Green Chem., 8, 1, 10.1039/b514521j

Freire, 2007, J. Phys. Chem. B, 111, 13082, 10.1021/jp076271e

Freire, 2008, J. Chem. Eng. Data, 53, 2378, 10.1021/je8002805

Banerjee, 2006, Ind. Eng. Chem. Res., 45, 3207, 10.1021/ie051116c

Shiflett, 2006, AIChE J., 52, 1205, 10.1002/aic.10685

Yokozeki, 2007, Ind. Eng. Chem. Res., 46, 1605, 10.1021/ie061260d

Kang, 2000

Kumar, 2009, Fluid Phase Equilibria, 278, 1, 10.1016/j.fluid.2008.11.019

Guo, 2006, Org. Biomol. Chem., 4, 2772, 10.1039/B606900B

Maiti, 2008, Phys. Chem. Phys., 10, 5050, 10.1039/b805169k

Heintz, 2003, J. Chem. Eng. Data, 48, 472, 10.1021/je0201931