A comprehensive framework for surfactant selection and design for emulsion based chemical product design

Fluid Phase Equilibria

Volumn 362, Issue , 2014, Pages 288-299

  Mattei, Michele ^a   Kontogeorgis, Georgios M ^a   Gani, Rafiqul ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

Cloud point; Emulsions; Product design; Property prediction

Indexed keywords

CHEMICAL PRODUCT DESIGN; CLOUD POINTS; HYDROPHILIC LIPOPHILIC BALANCE; HYDROPHILIC-LIPOPHILIC DEVIATIONS; MATHEMATICAL FORMULATION; PHARMACEUTICAL PRODUCTS; PROPERTY PREDICTIONS; PURE-COMPONENT PROPERTIES;

CHEMICAL INDUSTRY; CHEMICAL STABILITY; EMULSIFICATION; EMULSIONS; HYDROPHILICITY; MIXTURES; NONIONIC SURFACTANTS; TOOLS;

PRODUCT DESIGN;

EID: 84890859312     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2013.10.030     Document Type: Article

References (44)

1. Villadsen J. Putting structure into chemical engineering: proceeding of an industry/university conference. Chemical Engineering Science 1997, 52:2857-2864.
2. Cussler E.L., Moggridge G.D. Chemical Product Design 2012, Cambridge University Press, Cambridge, UK. 2nd ed.
3. Gani R. Chemical product design: challenges and opportunities. Computers and Chemical Engineering 2004, 28:2441-2457.
4. Abildskov J., Kontogeorgis G.M. Chemical product design. A new challenge of applied thermodynamics. Chemical Engineering Research and Design 2004, 82:1505-1510.
5. Conte E., Gani R., Ng K.M. Design of formulated products: a systematic methodology. AIChE Journal 2011, 57:2431-2449.
6. Conte E., Gani R., Cheng Y.S., Ng K.M. Design of formulated products: experimental component. AIChE Journal 2012, 58:173-189.
7. Raman V.S., Maranas C.D. Optimization in product design with properties correlated with topological indices. Computers & Chemical Engineering 1998, 22:747-763.
8. Chemmangattuvalappil N.G., Solvason C.C., Bommareddy S., Eden M.R. Combined property clustering and GC(+) techniques for process and product design. Computers & Chemical Engineering 2010, 34:582-591.
9. Teixeira M.A., Rodriguez O., Rodrigues S., Martins I., Rodrigues A.E. A case study of product engineering: performance of microencapsulated parumes on textile applications. AIChE Journal 2012, 58:1939-1950.
10. Charpentier J.C. Perspective on multiscale methodology for product design and engineering. Computers & Chemical Engineering 2009, 33:936-946.
11. Wibowo C., Ng K.M. Product-centered processing: manufacture of chemical-based consumer products. AIChE Journal 2002, 48:1212-1230.
12. Smith B.V., Ierapepritou M. Integrative chemical product design strategies: reflecting industry trends and challenges. Computers & Chemical Engineering 2010, 34:857-865.
13. Bernardo F.P., Saraiva P.M. Integrated process and product design optimization: a cosmetic emulsion application. Computer Aided Chemical Engineering 2012, 20:1507-1512.
14. Bagajewicz M., Hill S., Robben A., Lopez H., Sanders M., Sposato E., Baade C., Manora S., Coradin J.H. Product design in price-competitive markets: a case study of a skin moisturizing lotion. AIChE Journal 2011, 57:160-177.
15. Bagajewicz M. On the role of microeconomics, planning, and finances in product design. AIChE Journal 2007, 53:3155-3170.
16. Mattei M., Kontogeorgis G.M., Gani R. A systematic methodology for design of emulsion based chemical products. Computer Aided Chemical Engineering 2012, 31:220-224.
17. Tiddy G.J. Formulation science and technology - surfactants needed!. Current Opinion in Colloid & Interface Science 2000, 4:379-380.
18. Marrero J., Gani R. Group-contribution-based estimation of pure component properties. Fluid Phase Equilibria 2001, 183:183-208.
19. Constantinou L., Gani R. New group-contribution method for estimating properties of pure compounds. AIChE Journal 1994, 40:1697-1710.
20. Conte E., Martinho A., Matos H.A., Gani R. Combined group-contribution and atom connectivity index-based methods for estimation of surface tension and viscosity. Industrial & Engineering Chemistry Research 2008, 47:7940-7954.
21. Modarresi H., Conte E., Abildskov J., Gani R., Crafts P. Model-based calculation of solid solubility for solvent selection - a review. Industrial & Engineering Chemistry Research 2008, 47:5234-5242.
22. Hukkerikar A.S., Kalakul S., Sarup B., Young D.M., Sin G., Gani R. Estimation of environment-related properties of chemicals for design of sustainable processes: development of group-contribution (+) (GC(+)) property models and uncertainty analysis. Journal of Chemical Information and Modeling 2012, 52:2823-2839.
23. Ceriani R., Gani R., Meirelles A.J.A. Prediction of heat capacities and heats of vaporization of organic liquids by group contribution methods. Fluid Phase Equilibria 2009, 283:49-55.
24. Mattei M., Kontogeorgis G.M., Gani R. Modeling of the critical micelle concentration (CMC) of nonionic surfactants with an extended group-contribution method. Industrial and Engineering Chemistry Research 2013, 52:12236-12246.
25. Griffin W.C. Classification of surface-active agents by "HLB". Journal of the Society of the Cosmetic Chemists 1949, 1:311-326.
26. Li Y., Xu G., Luan Y., Yuan S., Xin X. Property prediction of surfactant by quantitative structure-property relationship: krafft point and cloud point. Journal of Dispersion Science and Technology 2007, 26:799-808.
27. Spencer C.F., Danner R.P. Improved equation for prediction of saturated liquid density. Journal of Chemical and Engineering Data 1972, 17:236-241.
28. Horvath A.L. Molecular Design 1992, Elsevier, Amsterdam.
29. Liaw H.J., Lee Y.H., Tang C.L., Hsu H.H., Liu J.H. A mathematical model for predicting the flash point of binary solutions. Journal of Loss Prevention in the Process Industries 2002, 15:429-438.
30. Pal R. Rheology of simple and multiple emulsions. Current Opinion in Colloid & Interface Science 2011, 16:41-60.
31. Hansen C.M. Hansen Solubility Parameters: A User's Handbook 2007, CRC Press, Boca Raton, FL. 2nd ed.
32. Salager J.L. Quantifying the concept of physico-chemical formulation in surfactant-oil-water systems - state of the art. Progress in Colloid and Polymer Science 1996, 100:137-142.
33. Hu J., Zhang X., Wang Z. A review on progress in QSPR studies for surfactants. International Journal of Molecular Science 2010, 11:1020-1047.
34. Mitchell D.J., Tiddy G.J.T., Wairing L., Bostock T., McDonald M. Phase behaviour of polyethylene surfactants with water. Journal of Chemical Society-Faraday Transactions I 1983, 79:975-1000.
35. Guo C., Ren Y., Zhou P., Shao J., Yang X., Shang Z. Toward a quantitative model and prediction of the cloud point of normal nonionic surfactants and noverl Gemini surfactants with heuristic method and gaussian process. Journal of Dispersion Science and Technology 2012, 33:1401-1410.
36. Ghasemi J., Ahmadi S. Combination of genetic algorithm and partial lease squares for cloud point prediction on nonionic surfactants from molecular structures. Annali di Chimica 2007, 97:69-83.
37. Ren Y., Zhao B., Chang Q., Yao X. QSPR modeling of nonionic surfactant cloud points: an update. Journal of Colloid and Interface Science 2011, 358:202-207.
38. Rosen M.J. Structure/Performance Relationships in Surfactants 1984, American Chemical Society, Washington, DC.
39. Hukkerikar A.S., Meier R.J., Sin G., Gani R. A method to estimate the enthalpy of formation of organic compounds with chemical accuracy. Fluid Phase Equilibria 2013, 348:23-32.
40. Pandey S., Bagwe R.P., Shah D.O. Effect of counterions on surface and foaming properties of dodecyl sulfate. Journal of Colloid and Interface Science 2003, 267:160-166.
41. Sjöblom J., Stenius P., Danielsson I. Phase equilibria of nonionic surfactants and the formation of microemulsions. Surfactant Science Series 1987, vol. 23. Marcel Dekker, New York. M.J. Schick (Ed.).
42. 2O-oil-nonionic amphiphile (microemulsions). Angewandte Chemie International Edition English 1985, 24:654-668.
43. Ray A. Solvophobic interactions and micelle formation in structure forming nonaqueous solvents. Nature 1971, 231:313-315.
44. Lin B.J., Chen L.J. Liquid-liquid equilibria for the ternary system water+tetradecane+2-butoxyethanol. Fluid Phase Equilibria 2004, 216:13-20.