The behavior of polymer-layered silicate nanocomposites is modeled through various factorial and mixtures design methodologies in order to optimize the composite performance and to accurately predict the properties especially for the nonpolar polymer systems. The various factors studied for the factorial design are volume fraction of inorganic clay, cation exchange capacity of the montmorillonite (MMT) substrate, and number of octadecyl chains in the ammonium modification ion exchanged on the clay surface. The constrained mixtures design includes the components as weight percent of polymer matrix, organic modification, and inorganic filler as compared to the total weight of the mixture. The mixtures design for compatibilized nanocomposites is also studied by using the components weight percent of polymer, organically modified clay, and the compatibilizer. The predicted properties from these models narrowly match the experimental results indicating the efficiency of the models to correctly represent the polymer nanocomposites system. The model equations are also used to generate response surfaces to help to achieve the required combinations of the factors or components of the system to obtain optimum composite properties. Unlike conventional models which depend on oversimplified assumptions, which are not applicable in reality, these models do not suffer from these limitations and can still predict the composite properties using a set of simple equations.
Usuki, A., Kojima, Y., Kawasumi, M., Okada, A., Fukushima, Y., Kurauchi, T. and Kamigaito, O. (1993). Synthesis of Nylon 6-clay Hybrid, Journal of Materials Research, 8(5): 1179—1184.
2.
Usuki, A., Kawasumi, M., Kojima, Y., Okada, A., Kurauchi, T. and Kamigaito, O. (1993). Swelling Behavior of Montmorillonite Cation Exchanged for ω-amino acids by ε-caprolactam, Journal of Materials Research, 8(5): 1174—1178.
3.
Kojima, Y., Usuki, A., Kawasumi, M., Okada, A., Kurauchi, T. and Kamigaito, O. (1993). Synthesis of Nylon-6 Clay Hybrid by Montmorillonite Intercalated with ε-caprolactam, Journal of Polymer Science, Part A: Polymer Chemistry, 31(4): 983—986.
4.
Bailey, S.W. (1984). Reviews in Mineralogy, Virginia Polytechnic Institute and State University, Blacksburg, VA.
5.
Bailey, S.W. (1980). Crystal Structure of Clay Minerals and their X-ray Identification, Mineralogical Society, London.
6.
Theng, B.K.G. (1974). The Chemistry of Clay-organic Reactions, Adam Hilger, London.
7.
Lagaly, G. and Beneke, K. (1991). Intercalation and Exchange Reactions of Clay Minerals and Non-clay Layer Compounds, Colloid and Polymer Science , 269(12): 1198—1211.
Gilman, J.W. , Jackson, C.L., Morgan, A.B., Harris, R., Manias, E., Giannelis, E.P., Wuthenow, M., Hilton, D. and Phillips, S.H. (2000). Flammability Properties of Polymer-layered Silicate Nanocomposites. Polypropylene and Polystyrene Nanocomposites, Chemistry of Materials,12(7): 1866—1873.
10.
LeBaron, P.C. , Wang, Z. and Pinavaia, T.J. (1999). Polymer-layered Silicate Nanocomposites: An Overview, AppliedClay Science, 15(1—2): 11—29.
11.
Alexandre, M. and Ph. Dubois. (2000). Polymer-layered Silicate Nanocomposites: Preparation, Properties and Uses of a New Class of Materials , Materials Science and Engineering Reports,28(1—2): 1—63.
12.
Osman, M.A. , Mittal, V., Morbidelli, M. and Suter, U.W. (2003). Polyurethane Adhesive Nanocomposites as Gas Permeation Barrier, Macromolecules,36(26): 9851—9858.
13.
Pukanszky, B. (1995). Polypropylene Structure, Blends and Composites, Vol. 3, Chapman and Hall, London.
14.
Sun, T. and Garces, J.M. (2002). High Performance Polypropylene-Clay Nanocomposites by In-Situ Polymerization With Metallocene/Clay Catalysts, Advanced Materials,14(2): 128—130.
15.
Kawasumi, M., Hasegawa, N., Kato, M., Usuki, A. and Okada, A. (1997). Preparation and Mechanical Properties of Polypropylene-Clay Hybrids, Macromolecules,30(20): 6333—6338.
16.
Oya, A., Kurokawa, Y. and Yasuda, H. (2000). Factors Controlling Mechanical Properties of Clay Mineral/Polypropylene Nanocomposites, Journal of MaterialsScience, 35(5): 1045—1050.
17.
Xu, W., Liang, G., Wang, W., Tang, S., He, P. and Pan, W.P. (2003). PP-PP-g-MAH-Org-MMT Nanocomposites. I. Intercalation Behavior and Microstructure, Journal of AppliedPolymer Science , 88(14): 3225—3231.
18.
Ellis, T.S. and D'Angelo, J.S. (2003). Thermal and Mechanical Properties of a Polypropylene Nanocomposite, Journal of AppliedPolymer Science, 90(6): 1639—1647.
19.
Su, S., Jiang, D.D. and Wilkie, C.A. (2004). Poly(methyl methacrylate), Polypropylene and Polyethylene Nanocomposite Formation by Melt Blending Using Novel Polymerically-Modified Clays, Polymer Degradation and Stability,83(2): 321—331.
20.
Reichert, P., Nitz, H., Klinke, S., Brandsch, R., Thomann, R. and Mülhaupt, R. (2000). Poly(propylene)/Organoclay Nanocomposite Formation: Influence of Compatibilizer Functionality and Organoclay Modification, Macromolecular Materials and Engineering,275(1): 8—17.
21.
Lertwimolnun, W. and Vergnes, B. (2005). Influence of Compatibilizer and Processing Conditions on the Dispersion of Nanoclay in a Polypropylene Matrix, Polymer, 46(10): 3462—3471.
22.
Wang, Y., Chen, F.-B., Li, Y.-C. and Wu, K.-C. (2004). Melt Processing of Polypropylene/ Clay Nanocomposites Modified with Maleated Polypropylene Compatibilizers, Composites Part B: Engineering,34(2): 111—124.
23.
Kerner, E.H. (1956). The Elastic and Thermo-Elastic Properties of Composite Media, Proceedings of the Physical Society, B69(8): 808—813.
24.
Hashin, Z. and Shtrikman, S. (1963). A Variational Approach to the Theory of the Elastic Behavior of Multiphase Materials, Journal of the Mechanics andPhysics of Solids, 11(2): 127—140.
25.
Halpin, J.C. (1969). Stiffness and Expansion Estimates for Oriented Short Fiber Composites, Journal ofComposite Materials, 3(4): 732—734.
26.
Halpin, J.C. (1992). Primer on Composite Materials Analysis, Technomic, Lancaster.
27.
van Es, M., Xiqiao, F., van Turnhout, J. and van der Giessen, E. (2001). In: Al-Malaika, S., Golovoy, A.W. and Wilkie, C.A. (eds), Specialty Polymer Additives: Principles and Application, Blackwell Science, CAMelden, MA.
28.
Fornes, T.D. and Paul, D.R. (2003). Modeling Properties of Nylon 6/Clay Nanocomposites Using Composite Theories, Polymer, 44(17): 4993—5013.
29.
Brune, D.A. and Bicerano, J. (2002). Micromechanics of Nanocomposites: Comparison of Tensile and Compressive Elastic Moduli, and Prediction of Effects of Incomplete Exfoliation and Imperfect Alignment on Modulus, Polymer, 43(2): 369—387.
30.
Luo, J.J. and Daniel, I.M. (2003). Characterization and Modeling of Mechanical Behavior of Polymer/Clay Nanocomposites, CompositesScience and Technology, 63(11): 1607—1616.
31.
Wu, Y.P. , Jia, Q.X., Yu, D.S. and Zhang, L.Q. (2004). Modeling Young's Modulus of Rubber-Clay Nanocomposites Using Composite Theories, Polymer Testing,23(8): 903—909.
32.
Ishida, H., Campbell, S. and Blackwell, J. (2000). General Approach to Nanocomposite Preparation , Chemistry of Materials,12(5): 1260—1267.
33.
Jang, B.Z., Hwang, L.R., Fergus, J.W. and Chen, H.P. (1996). Interface Compatibility in Ceramic-Matric Composites, CompositesScience and Technology, 56(12): 1341—1348.
34.
Osman, M.A., Mittal, V. and Suter, U.W. (2007). Poly(propylene)-Layered Silicate Nanocomposites: Gas Permeation Properties and Clay Exfoliation, Macromolecular Chemistry andPhysics, 208(1): 68—75.
35.
Mittal, V. (2007). Poly(propylene)-Layered Silicate Nanocomposites: Filler Matrix Interactions and Mechanical Properties, Journal of Thermoplastic Composite Materials, 20(6): 575—599.
