Simultaneous polymer property modeling using Grid technology for structured products

Polymer property modeling requires the handling of linear and non-linear parameters; solving those needs high computational resources and time. When modeling several properties, time taken for parameter estimation and computational power demands in general, increases proportionately with the number of properties modeled. Grid technology greatly facilitates this work different property models (based on either group contributions, connectivity indices or other methods) can be generated in parallel. Here we present a suite of new polymer property models based on groups and atomic contributions. These models are more suitable for computer-aided polymer design algorithms than their predecessors. A comparison of the times required for generating the models in series and in parallel, using grid technology, is also presented.