Objective
The main goals of the project consist of a comprehensive experimental and theoretical study of homo- and copolymerization of diene, styrene, and acrylic monomers under the action of novel initiators based on individual organometallic compounds of Group I - III metals, their mixtures with each other and other modifiers, such as alkoxides and alkyls of alkali, alkaline earth and main group III metals, and of unsymmetrical compounds of alkaline earth and rare earth metals. The investigation of the nature of active centers by NMR, UV, and quantum-mechanical methods; and the development of general computational methods for the analysis of kinetic schemes and for the calculation of molecular weights and MWD of polymers formed in multicentered systems taking account of the effect of chain transfer, of the metal-metal exchange between growing chains, and the formation of dormant species.
The long-term objectives of the investigations are to develop new ways for synthesis of homo- and copolymers with controlled architecture and with new properties and to develop an approach to the construction of a generalised theory of the reactivity of complex active centers which will be able to predict the catalytic properties of complex metal-containing initiators of various composition.
The following main directions of investigation are planned:
Synthesis and characterisation of new single-metal and complex polymerisation initiators and model compounds containing I-IV Group metals;
Experimental study of polymerisation of nonpolar and polar monomers initiated by them with respect to the kinetics of the process, microstructure and MWD of polymers formed. Particular attention will be paid to the synthesis of polymers of unusual structure such as high-vinyl styrene-butadiene block-copolymers, high trans-1,4-polybutadiene, di- and three-block-copolymers of polar and non-polar monomers, polymers with heteroelement end groups, new thermoplastic elastomers on the basis of ABA block and graft copolymers of polar monomers, functional polymers, polymers with controlled branching, star polymers, etc.;
Theoretical investigation of kinetic and MWD characteristics as well as quantum-mechanical investigations of the structure of complex active centers for polymerisation both of hydrocarbon and polar monomers which will help in understanding the reaction mechanism and facilitate finding improved initiating systems.
Topic(s)
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55099 Mainz
Germany