-
2
-
-
0042986134
-
Computer-aided product design: Problem formulations, methodology, and applications
-
in press
-
Constantinou, L., Bagherpour, K., Gani, R., Klein, J. A. and Wu, D. T. Computer-aided product design: problem formulations, methodology, and applications. Computers Chem. Engng, in press.
-
Computers Chem. Engng
-
-
Constantinou, L.1
Bagherpour, K.2
Gani, R.3
Klein, J.A.4
Wu, D.T.5
-
3
-
-
33646461169
-
Estimation of the thermodynamic properties of hydrocarbons at 298.15 K
-
Domalski, E. S. and Hearing, E. D. (1988) Estimation of the thermodynamic properties of hydrocarbons at 298.15 K. J. Phys. Chem. Ref. Data 14, 1637-1678.
-
(1988)
J. Phys. Chem. Ref. Data
, vol.14
, pp. 1637-1678
-
-
Domalski, E.S.1
Hearing, E.D.2
-
4
-
-
0016572380
-
Group-contribution estimation of activity coefficients in nonideal liquid mixtures
-
Fredenslund, A., Jones, R. L. and Prausnitz, J. M. (1975) Group-contribution estimation of activity coefficients in nonideal liquid mixtures. AIChE J. 21, 1086-1099.
-
(1975)
AIChE J.
, vol.21
, pp. 1086-1099
-
-
Fredenslund, A.1
Jones, R.L.2
Prausnitz, J.M.3
-
5
-
-
0026219330
-
A group contribution approach to computer-aided molecular design
-
Gani, R., Nielsen, B. and Fredenslund, A. (1991) A group contribution approach to computer-aided molecular design. AIChE J. 37, 1318-1332.
-
(1991)
AIChE J.
, vol.37
, pp. 1318-1332
-
-
Gani, R.1
Nielsen, B.2
Fredenslund, A.3
-
6
-
-
84972939236
-
Estimation of pure-component properties from group contributions
-
Joback, K. G. and Reid, R. C. (1987) Estimation of pure-component properties from group contributions. Chem. Engng Commun. 57, 233-243.
-
(1987)
Chem. Engng Commun.
, vol.57
, pp. 233-243
-
-
Joback, K.G.1
Reid, R.C.2
-
7
-
-
0003313197
-
Designing molecules possessing desired physical property values
-
CACHE Corporation, Austin, Texas
-
Joback, K. G. and Stephanopoulos, G. (1989) Designing molecules possessing desired physical property values. Proceedings FOCAPD'89, pp. 363-387. CACHE Corporation, Austin, Texas.
-
(1989)
Proceedings FOCAPD'89
, pp. 363-387
-
-
Joback, K.G.1
Stephanopoulos, G.2
-
8
-
-
0026461718
-
Computer aided mixture design with specified property constraints
-
Klein, J. A., Wu, D. T. and Gani, R. (1992) Computer aided mixture design with specified property constraints. Computers chem. Engng 16, S229-S236.
-
(1992)
Computers Chem. Engng
, vol.16
-
-
Klein, J.A.1
Wu, D.T.2
Gani, R.3
-
9
-
-
1642506499
-
Topological mapping of organic molecules
-
Lederberg, J. (1965) Topological mapping of organic molecules. Proc. Natl. Acad. Sci. USA 53, 134-139.
-
(1965)
Proc. Natl. Acad. Sci. USA
, vol.53
, pp. 134-139
-
-
Lederberg, J.1
-
10
-
-
0003659236
-
-
McGraw-Hill, New York
-
Lindsay, R. K., Buchanan, B. G., Feigenbaum, E. A. and Lederberg, J. (1980) Applications of Artificial Intelligence for Organic Chemistry: The DENDRAL Project. McGraw-Hill, New York.
-
(1980)
Applications of Artificial Intelligence for Organic Chemistry: the DENDRAL Project
-
-
Lindsay, R.K.1
Buchanan, B.G.2
Feigenbaum, E.A.3
Lederberg, J.4
-
11
-
-
0025479537
-
Design of optimal solvents for liquid-liquid extraction and gas absorption processes
-
Macchietto, S., Odele, O. and Omatsone, O. (1990) Design of optimal solvents for liquid-liquid extraction and gas absorption processes. Trans. IChemE 68(Part A), 429-433.
-
(1990)
Trans. IChemE
, vol.68
, Issue.PART A
, pp. 429-433
-
-
Macchietto, S.1
Odele, O.2
Omatsone, O.3
-
12
-
-
0025701406
-
Group contributions to the Gibbs energy of formation of biochemical compounds in aqueous solution
-
Mavrovouniotis, M. L. (1990) Group contributions to the Gibbs energy of formation of biochemical compounds in aqueous solution. Biotechnology and Bioengineering 36, 1070-1082.
-
(1990)
Biotechnology and Bioengineering
, vol.36
, pp. 1070-1082
-
-
Mavrovouniotis, M.L.1
-
13
-
-
0025226315
-
Neighbor effects on the group contribution method: Infinite dilution activity coefficients of binary systems containing primary amines and alcohols
-
Pividal, K. A. and Sandler, S. I. (1990) Neighbor effects on the group contribution method: infinite dilution activity coefficients of binary systems containing primary amines and alcohols. J. Chem. Engng Data 35, 53-60.
-
(1990)
J. Chem. Engng Data
, vol.35
, pp. 53-60
-
-
Pividal, K.A.1
Sandler, S.I.2
-
14
-
-
33748215947
-
Molecular thermodynamics for chemical process design
-
Prausnitz, J. M. (1990) Molecular thermodynamics for chemical process design. Angew. Chem., Int. Ed. Engl. 29, 1246-1255.
-
(1990)
Angew. Chem., Int. Ed. Engl.
, vol.29
, pp. 1246-1255
-
-
Prausnitz, J.M.1
-
15
-
-
0028483475
-
Computer-aided molecular design of solvents for separation processes
-
Pretel, E. J., Lopez, P. A., Bottini, S. B. and Brignole, E. A. (1994) Computer-aided molecular design of solvents for separation processes. AIChE J. 40, 1349-1360.
-
(1994)
AIChE J.
, vol.40
, pp. 1349-1360
-
-
Pretel, E.J.1
Lopez, P.A.2
Bottini, S.B.3
Brignole, E.A.4
-
16
-
-
0003517855
-
-
McGraw-Hill, New York
-
Reid, R. C., Prausnitz, J. M. and Poling, B. E. (1987) The Properties of Gases and Liquids, 4th Edn. McGraw-Hill, New York.
-
(1987)
The Properties of Gases and Liquids, 4th Edn.
-
-
Reid, R.C.1
Prausnitz, J.M.2
Poling, B.E.3
-
17
-
-
0028500262
-
Computer-aided molecular design using genetic algorithms
-
Venkatasubramanian, V., Chan, K. and Caruthers, J. M. (1994) Computer-aided molecular design using genetic algorithms. Computers Chem. Engng 18, 833-844.
-
(1994)
Computers Chem. Engng
, vol.18
, pp. 833-844
-
-
Venkatasubramanian, V.1
Chan, K.2
Caruthers, J.M.3
-
18
-
-
0030130009
-
Prediction of infinite dilution activity coefficients in binary mixtures with UNIFAC. A critical evaluation
-
Voutsas, E. C. and Tassios, D. P. (1996) Prediction of infinite dilution activity coefficients in binary mixtures with UNIFAC. A critical evaluation. Ind. Eng. Chem. Res. 35, 1438-1445.
-
(1996)
Ind. Eng. Chem. Res.
, vol.35
, pp. 1438-1445
-
-
Voutsas, E.C.1
Tassios, D.P.2
|