-
2
-
-
43949174858
-
Computer-aided molecular design - A novel method for optimal solvent selection
-
Odele, O.; Macchietto, S. Computer-aided molecular design - A novel method for optimal solvent selection. Fluid Phase Equilib. 1993, 82, 47-54.
-
(1993)
Fluid Phase Equilib.
, vol.82
, pp. 47-54
-
-
Odele, O.1
Macchietto, S.2
-
3
-
-
0033432755
-
Design of environmentally benign processes: Integration of solvent design and separation process synthesis
-
Hostrup, M.; Harper, P. M.; Gani, R. Design of environmentally benign processes: integration of solvent design and separation process synthesis. Comput. Chem. Eng. 1999, 23, 1395-1414.
-
(1999)
Comput. Chem. Eng.
, vol.23
, pp. 1395-1414
-
-
Hostrup, M.1
Harper, P.M.2
Gani, R.3
-
4
-
-
10344236498
-
Computer-aided methods and tools for chemical product design
-
Gani, R. Computer-aided methods and tools for chemical product design. Chem. Eng. Res. Des. 2004, 82, 1494-1504.
-
(2004)
Chem. Eng. Res. Des.
, vol.82
, pp. 1494-1504
-
-
Gani, R.1
-
5
-
-
0346460327
-
A novel framework for simultaneous separation process and product design
-
Eden, M. R.; Jorgensen, S. B.; Gani, R.; El-Halwagi, M. M. A novel framework for simultaneous separation process and product design. Chem. Eng. Process. 2004, 43, 595-608.
-
(2004)
Chem. Eng. Process.
, vol.43
, pp. 595-608
-
-
Eden, M.R.1
Jorgensen, S.B.2
Gani, R.3
El-Halwagi, M.M.4
-
6
-
-
64549135756
-
Integrated solvent and process selection for separation and reactive separation systems
-
Papadopoulos, A. I.; Linke, P. Integrated solvent and process selection for separation and reactive separation systems. Chem. Eng. Process. 2009, 48, 1047-1060.
-
(2009)
Chem. Eng. Process.
, vol.48
, pp. 1047-1060
-
-
Papadopoulos, A.I.1
Linke, P.2
-
7
-
-
33751157086
-
Conductor-like screening model for real solvents - A new approach to the quantitative calculation of solvation phenomena
-
Klamt, A. Conductor-like Screening Model for Real Solvents - A New Approach to the Quantitative Calculation of Solvation Phenomena. J. Phys. Chem. 1995, 99, 2224-2235.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 2224-2235
-
-
Klamt, A.1
-
8
-
-
0034728489
-
Application of perturbation theory to a hardchain reference fluid: An equation of state for square-well chains
-
Gross, J.; Sadowski, G. Application of perturbation theory to a hardchain reference fluid: an equation of state for square-well chains. Fluid Phase Equilib. 2000, 168, 183-199.
-
(2000)
Fluid Phase Equilib.
, vol.168
, pp. 183-199
-
-
Gross, J.1
Sadowski, G.2
-
9
-
-
0035925248
-
Perturbed-chain SAFT: An equation of state based on a perturbation theory for chain molecules
-
Gross, J.; Sadowski, G. Perturbed-chain SAFT: An equation of state based on a perturbation theory for chain molecules. Ind. Eng. Chem. Res. 2001, 40, 1244-1260.
-
(2001)
Ind. Eng. Chem. Res.
, vol.40
, pp. 1244-1260
-
-
Gross, J.1
Sadowski, G.2
-
10
-
-
0000620379
-
Statistical associating fluid theory for chain molecules with attractive potentials of variable range
-
Gil-Villegas, A.; Galindo, A.; Whitehead, P.; Mills, S.; Jackson, G.; Burgess, A. Statistical associating fluid theory for chain molecules with attractive potentials of variable range. J. Chem. Phys. 1997, 106, 4168-4186.
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 4168-4186
-
-
Gil-Villegas, A.1
Galindo, A.2
Whitehead, P.3
Mills, S.4
Jackson, G.5
Burgess, A.6
-
11
-
-
85024863271
-
The thermodynamics of mixtures and the corresponding mixing rules in the SAFT-VR approach for potentials of variable range
-
Galindo, A.; Davies, L.; Gil-Villegas, A.; Jackson, G. The thermodynamics of mixtures and the corresponding mixing rules in the SAFT-VR approach for potentials of variable range. Mol. Phys. 1998, 93, 241-252.
-
(1998)
Mol. Phys.
, vol.93
, pp. 241-252
-
-
Galindo, A.1
Davies, L.2
Gil-Villegas, A.3
Jackson, G.4
-
12
-
-
0031996695
-
Prediction of binary and ternary diagrams using the statistical associating fluid theory (SAFT) equation of state
-
Blas, F.; Vega, L. Prediction of binary and ternary diagrams using the statistical associating fluid theory (SAFT) equation of state. Ind. Eng. Chem. Res. 1998, 37, 660-674.
-
(1998)
Ind. Eng. Chem. Res.
, vol.37
, pp. 660-674
-
-
Blas, F.1
Vega, L.2
-
13
-
-
0035972396
-
Vapor-liquid equilibria and critical behavior of heavy n-alkanes using transferable parameters from the soft-SAFT equation of state
-
Pamies, J.; Vega, L. Vapor-liquid equilibria and critical behavior of heavy n-alkanes using transferable parameters from the soft-SAFT equation of state. Ind. Eng. Chem. Res. 2001, 40, 2532-2543.
-
(2001)
Ind. Eng. Chem. Res.
, vol.40
, pp. 2532-2543
-
-
Pamies, J.1
Vega, L.2
-
14
-
-
84927474158
-
Phase-equilibria of associating fluids chain molecules with multiple bonding sites
-
Chapman, W. G.; Jackson, G.; Gubbins, K. E. Phase-equilibria of associating fluids chain molecules with multiple bonding sites. Mol. Phys. 1988, 65, 1057-1079.
-
(1988)
Mol. Phys.
, vol.65
, pp. 1057-1079
-
-
Chapman, W.G.1
Jackson, G.2
Gubbins, K.E.3
-
15
-
-
0021408850
-
Fluids with highly directional attractive forces. 1. Statistical thermodynamics
-
Wertheim, M. Fluids with highly directional attractive forces. 1. Statistical thermodynamics. J. Stat. Phys. 1984, 35, 19-34.
-
(1984)
J. Stat. Phys.
, vol.35
, pp. 19-34
-
-
Wertheim, M.1
-
16
-
-
0021407359
-
Fluids with highly directional attractive forces. 2. Thermodynamic perturbation-theory and integral-equations
-
Wertheim, M. Fluids with highly directional attractive forces. 2. Thermodynamic perturbation-theory and integral-equations. J. Stat. Phys. 1984, 35, 35-47.
-
(1984)
J. Stat. Phys.
, vol.35
, pp. 35-47
-
-
Wertheim, M.1
-
17
-
-
13444285081
-
Fluids with highly directional attractive forces. 3. Multiple attraction sites
-
Wertheim, M. Fluids with highly directional attractive forces. 3. Multiple attraction sites. J. Stat. Phys. 1986, 42, 459-476.
-
(1986)
J. Stat. Phys.
, vol.42
, pp. 459-476
-
-
Wertheim, M.1
-
18
-
-
0342653160
-
Fluids with highly directional attractive forces. 4. Equilibrium polymerization
-
Wertheim, M. Fluids with highly directional attractive forces. 4. Equilibrium polymerization. J. Stat. Phys. 1986, 42, 477-492.
-
(1986)
J. Stat. Phys.
, vol.42
, pp. 477-492
-
-
Wertheim, M.1
-
19
-
-
26944479727
-
An equation-of-state contribution for polar components: Quadrupolar molecules
-
Gross, J. An equation-of-state contribution for polar components: Quadrupolar molecules. AIChE J. 2005, 51, 2556-2568.
-
(2005)
AIChE J.
, vol.51
, pp. 2556-2568
-
-
Gross, J.1
-
20
-
-
33645633513
-
An equation-of-state contribution for polar components: Dipolar molecules
-
Gross, J.; Vrabec, J. An equation-of-state contribution for polar components: Dipolar molecules. AIChE J. 2006, 52, 1194-1204.
-
(2006)
AIChE J.
, vol.52
, pp. 1194-1204
-
-
Gross, J.1
Vrabec, J.2
-
21
-
-
33646363762
-
An equation of state contribution for polar components: Polarizable dipoles
-
Kleiner, M.; Gross, J. An equation of state contribution for polar components: Polarizable dipoles. AIChE J. 2006, 52, 1951-1961.
-
(2006)
AIChE J.
, vol.52
, pp. 1951-1961
-
-
Kleiner, M.1
Gross, J.2
-
22
-
-
38649125207
-
Vapor-liquid equilibria simulation and an equation of state contribution for dipole-quadrupole interactions
-
Vrabec, J.; Gross, J. Vapor-liquid equilibria simulation and an equation of state contribution for dipole-quadrupole interactions. J. Phys. Chem. B 2008, 112, 51-60.
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 51-60
-
-
Vrabec, J.1
Gross, J.2
-
23
-
-
84885569734
-
2 capture processes from natural gas
-
Georgiadis, M., Kikkinides, E., Pistikopoulos, E., Eds.; Wiley-VCH: Weinheim
-
2 capture processes from natural gas. In Energy Systems Engineering; Georgiadis, M., Kikkinides, E., Pistikopoulos, E., Eds.; Wiley-VCH: Weinheim, 2008; pp 231-248.
-
(2008)
Energy Systems Engineering
, pp. 231-248
-
-
Pereira, F.1
Keskes, E.2
Galindo, A.3
Jackson, G.4
Adjiman, C.5
-
24
-
-
0342493311
-
On the development of novel chemicals using a systematic optimization approach. Part II. Solvent design
-
Marcoulaki, E. C.; Kokossis, A. C. On the development of novel chemicals using a systematic optimization approach. Part II. Solvent design. Chem. Eng. Sci. 2000, 55, 2547-2561.
-
(2000)
Chem. Eng. Sci.
, vol.55
, pp. 2547-2561
-
-
Marcoulaki, E.C.1
Kokossis, A.C.2
-
25
-
-
0000791074
-
Optimal solvent design for environmental impact minimization
-
Pistikopoulos, E. N.; Stefanis, S. K. Optimal solvent design for environmental impact minimization. Comput. Chem. Eng. 1998, 22, 717-733.
-
(1998)
Comput. Chem. Eng.
, vol.22
, pp. 717-733
-
-
Pistikopoulos, E.N.1
Stefanis, S.K.2
-
26
-
-
43449139003
-
A systematic synthesis framework for extractive distillation processes
-
Kossack, S.; Kraemer, K.; Gani, R.; Marquardt, W. A systematic synthesis framework for extractive distillation processes. Chem. Eng. Res. Des. 2008, 86, 781-792.
-
(2008)
Chem. Eng. Res. Des.
, vol.86
, pp. 781-792
-
-
Kossack, S.1
Kraemer, K.2
Gani, R.3
Marquardt, W.4
-
27
-
-
0025479537
-
Design of optimal solvents for liquid-liquid-extraction and gas-absorption processes
-
Macchietto, S.; Odele, O.; Omatsone, O. Design of optimal solvents for liquid-liquid-extraction and gas-absorption processes. Chem. Eng. Res. Des. 1990, 68, 429-433.
-
(1990)
Chem. Eng. Res. Des.
, vol.68
, pp. 429-433
-
-
Macchietto, S.1
Odele, O.2
Omatsone, O.3
-
28
-
-
43949094509
-
Quantum mechanically based estimation of perturbed-chain polar statistical associating fluid theory parameters for analyzing their physical significance and predicting properties
-
Van Nhu, N.; Singh, M.; Leonhard, K. Quantum mechanically based estimation of perturbed-chain polar statistical associating fluid theory parameters for analyzing their physical significance and predicting properties. J. Phys. Chem. B 2008, 112, 5693-5701.
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 5693-5701
-
-
Van Nhu, N.1
Singh, M.2
Leonhard, K.3
-
29
-
-
33645655317
-
General friction theory viscosity model for the PC-SAFT equation of state
-
Quiñones-Cisneros, S. E.; Zéberg-Mikkelsen, C. K.; Fernández, J.; García, J. General friction theory viscosity model for the PC-SAFT equation of state. AIChE J. 2006, 52, 1600-1610.
-
(2006)
AIChE J.
, vol.52
, pp. 1600-1610
-
-
Quiñones-Cisneros, S.E.1
Zéberg-Mikkelsen, C.K.2
Fernández, J.3
García, J.4
-
30
-
-
33746582853
-
Generalization of the friction theory for viscosity modeling
-
Quinones-Cisneros, S.; Deiters, U. Generalization of the friction theory for viscosity modeling. J. Phys. Chem. B 2006, 110, 12820-12834.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 12820-12834
-
-
Quinones-Cisneros, S.1
Deiters, U.2
-
31
-
-
38349106845
-
Process design approach for reactive distillation based on economics, exergy, and responsiveness optimization
-
Almeida-Rivera, C. P.; Grievink, J. Process Design Approach for Reactive Distillation Based on Economics, Exergy, and Responsiveness Optimization. Ind. Eng. Chem. Res. 2008, 47, 51-65.
-
(2008)
Ind. Eng. Chem. Res.
, vol.47
, pp. 51-65
-
-
Almeida-Rivera, C.P.1
Grievink, J.2
-
32
-
-
55549138349
-
A generalisation of the SAFT- gamma group contribution method for groups comprising multiple spherical segments
-
Lymperiadis, A.; Adjiman, C. S.; Jackson, G.; Galindo, A. A generalisation of the SAFT- gamma group contribution method for groups comprising multiple spherical segments. Fluid Phase Equilib. 2008, 274, 85-104.
-
(2008)
Fluid Phase Equilib.
, vol.274
, pp. 85-104
-
-
Lymperiadis, A.1
Adjiman, C.S.2
Jackson, G.3
Galindo, A.4
-
33
-
-
4344627384
-
Group contribution method with SAFT EOS applied to vapor liquid equilibria of various hydrocarbon series
-
Tamouza, S.; Passarello, J.; Tobaly, P.; de Hemptinne, J. Group contribution method with SAFT EOS applied to vapor liquid equilibria of various hydrocarbon series. Fluid Phase Equilib. 2004, 222, 67-76.
-
(2004)
Fluid Phase Equilib.
, vol.222
, pp. 67-76
-
-
Tamouza, S.1
Passarello, J.2
Tobaly, P.3
De Hemptinne, J.4
-
34
-
-
57249088606
-
Modeling phase equi-libria of asymmetric mixtures using a group- contribution saft (gc-saft) with a k(ij) correlation method based on london's theory. 1. application to co2 + n-alkane, methane plus n-alkane, and ethane plus N-alkane systems
-
Nguyen-Huynh, D.; Passarello, J. P.; Tobaly, P.; de Hemptinne, J. C. Modeling Phase Equi-libria of Asymmetric Mixtures Using a Group- Contribution SAFT (GC-SAFT) with a k(ij) Correlation Method Based on London's Theory. 1. Application to CO2 + n-Alkane, Methane plus n-Alkane, and Ethane plus n-Alkane Systems. Ind. Eng. Chem. Res. 2008, 47, 8847-8858.
-
(2008)
Ind. Eng. Chem. Res.
, vol.47
, pp. 8847-8858
-
-
Nguyen-Huynh, D.1
Passarello, J.P.2
Tobaly, P.3
De Hemptinne, J.C.4
-
35
-
-
49549125662
-
A predictive group-contribution simplified PC-SAFT equation of state: Application to polymer systems
-
Tihic, A.; Kontogeorgis, G. M.; von Solms, N.; Michelsen, M. L.; Constantinou, L. A predictive group-contribution simplified PC-SAFT equation of state: Application to polymer systems. Ind. Eng. Chem. Res. 2008, 47, 5092-5101.
-
(2008)
Ind. Eng. Chem. Res.
, vol.47
, pp. 5092-5101
-
-
Tihic, A.1
Kontogeorgis, G.M.2
Von Solms, N.3
Michelsen, M.L.4
Constantinou, L.5
-
36
-
-
60649106337
-
Developing a predictive group-contribution-based SAFT-VR equation of state
-
Peng, Y.; Goff, K. D.; dos Ramos, M. C.; McCabe, C. Developing a predictive group-contribution-based SAFT-VR equation of state. Fluid Phase Equilib. 2009, 277, 131-144.
-
(2009)
Fluid Phase Equilib.
, vol.277
, pp. 131-144
-
-
Peng, Y.1
Goff, K.D.2
Dos Ramos, M.C.3
McCabe, C.4
-
37
-
-
33645961462
-
-
IPCC, Prepared by Working Group III of the Intergovernmental Panel on Climate Change; Cambridge University Press: Cambridge, United Kingdom
-
IPCC. IPCC Special Report on Carbon Dioxide Capture and Storage; Prepared by Working Group III of the Intergovernmental Panel on Climate Change; Cambridge University Press: Cambridge, United Kingdom, 2005.
-
(2005)
IPCC Special Report on Carbon Dioxide Capture and Storage
-
-
-
38
-
-
37849007895
-
Progress in carbon dioxide separation and capture: A review.
-
Yang, H.; Xu, Z.; Fan, M.; Gupta, R.; Slimane, R. B.; Bland, A. E.; Wright, I. Progress in carbon dioxide separation and capture: A review. J. Environ. Sci. 2008, 20, 14-27.
-
(2008)
J. Environ. Sci.
, vol.20
, pp. 14-27
-
-
Yang, H.1
Xu, Z.2
Fan, M.3
Gupta, R.4
Slimane, R.B.5
Bland, A.E.6
Wright, I.7
-
39
-
-
33749032396
-
CO2 capture and storage: Closing the knowing-doing gap
-
Steeneveldt, R.; Berger, B.; Torp, T. CO2 capture and storage: Closing the knowing-doing gap. Chem. Eng. Res. Des. 2006, 84, 739-763.
-
(2006)
Chem. Eng. Res. Des.
, vol.84
, pp. 739-763
-
-
Steeneveldt, R.1
Berger, B.2
Torp, T.3
-
40
-
-
0004190148
-
-
5th ed.; Gulf Publishing Company: Houston, TX
-
Kohl, A. L.; Nielsen, R. Gas purification, 5th ed.; Gulf Publishing Company: Houston, TX, 1997.
-
(1997)
Gas purification
-
-
Kohl, A.L.1
Nielsen, R.2
-
41
-
-
0024048074
-
Vapor-liquid equilibrium studies for the carbon dioxide-methanol system
-
Hong, J.; Kobayashi, R. Vapor-liquid equilibrium studies for the carbon dioxide-methanol system. Fluid Phase Equilib. 1988, 41, 269-276.
-
(1988)
Fluid Phase Equilib.
, vol.41
, pp. 269-276
-
-
Hong, J.1
Kobayashi, R.2
-
42
-
-
0030381077
-
The quickhull algorithm for convex hulls
-
Barber, C.; Dobkin, D.; Huhdanpaa, H. The quickhull algorithm for convex hulls. ACM T. Math. Softw. 1996, 22, 469-483.
-
(1996)
ACM T. Math. Softw.
, vol.22
, pp. 469-483
-
-
Barber, C.1
Dobkin, D.2
Huhdanpaa, H.3
-
43
-
-
18844409149
-
Method for selection of solvents for promotion of organic reactions
-
Gani, R.; Jiménez-González, C.; Constable, D. J. Method for selection of solvents for promotion of organic reactions. Comput. Chem. Eng. 2005, 29, 1661-1676.
-
(2005)
Comput. Chem. Eng.
, vol.29
, pp. 1661-1676
-
-
Gani, R.1
Jiménez-González, C.2
Constable, D.J.3
-
44
-
-
77649158488
-
Modeling the fluid phase behavior of carbon dioxide in aqueous solutions of monoethanolamine using transferable parameters with the SAFT-VR approach
-
Mac Dowell, N.; Llovell, F.; Adjiman, C. S.; Jackson, G.; Galindo, A. Modeling the Fluid Phase Behavior of Carbon Dioxide in Aqueous Solutions of Monoethanolamine Using Transferable Parameters with the SAFT-VR Approach. Ind. Eng. Chem. Res., http://dx.doi.org/10.1021/ie901014t.
-
Ind. Eng. Chem. Res.
-
-
Mac Dowell, N.1
Llovell, F.2
Adjiman, C.S.3
Jackson, G.4
Galindo, A.5
-
45
-
-
33749827472
-
Bulk and interfacial properties of polymers from interfacial SAFT density functional theory
-
Dominik, A.; Tripathi, S.; Chapman, W. G. Bulk and interfacial properties of polymers from interfacial SAFT density functional theory. Ind. Eng. Chem. Res. 2006, 45, 6785-6792.
-
(2006)
Ind. Eng. Chem. Res.
, vol.45
, pp. 6785-6792
-
-
Dominik, A.1
Tripathi, S.2
Chapman, W.G.3
-
46
-
-
71549124708
-
Density functional theory for vapor-liquid interfaces using the PCP-SAFT equation of state
-
Gross, J. A. density functional theory for vapor-liquid interfaces using the PCP-SAFT equation of state. J. Chem. Phys. 2009, 131, 204705.
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 204705
-
-
Gross, J.A.1
|