Monte Carlo Simulation Studies of the Size and Shape of Regular Three Generation Dendrimers

By the use of a dynamic Monte Carlo method, three‐generation dendrimers of type F 1 F 2 F 2 with functionalities F 1  = 3 to 6 and F 2  = 2 to F 1 –1 are simulated and investigated as functions of spacer lengths, with a total chain length up to 200 000 segments. Highly diluted athermal and theta solutions are studied as well as properties of non‐reversal random walk dendrimers for comparison. For athermal conditions mean square dimensions obey the same scaling law regarding the total number of bonds as linear chains, irrespective of functionality and complexity. Likewise the theta parameter is the same for all systems investigated. Dimensions of theta systems are slightly expanded as compared to non‐reversal random walk data, the effect increasing with increasing F 1 and F 2 while shape data near to theta conditions fairly well coincide with those of non‐reversal random walks.