Polarity formation by a higher order interaction Markov-like chain

Rech, Mathias ; Batagiannis, Athanasios ; Hulliger, Jürg

In: Journal of Mathematical Chemistry, 2009, vol. 46, no. 4, p. 1181-1187

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    Summary
    Vector property generation is discussed for chain growth by higher order interactions. Because of a deterministic property evolution a state space approach was used. Although not strictly Markovian, the system shows ergodic properties and convergence for a large number of attachment steps. For reasonable interaction energies attributed to increasing order, the main extra contribution to polarity formation results from interactions up to next nearest neighbours. Nonlinear equations up to third order were solved by an iterative procedure