Novel scheme to study structural and thermal properties of continuously deformable molecules

In this anicle we present a method for alculating the chemical potential arbitrary chain molecules in a mmpuier simulation. The method is based on a of Siepmann's method tor mlculaling the chemical potential of chain with a finite number of conformations. Next. we show that it is also possible 10 the configurational-bias Monte Carlo scheme developed recenty by Siepmann and to continuously deformable molecules.? he utility of our technique for computing chemical potenlial of chain molecules is demonstrated ty computing the chemical of a fully flexible chain mnsisting of 10-20 segments in a moderately dense fluid. Under these mnditions the conventional particle. inserlion schemes [ail. In addition, we show hat our novel configuralional-bias Monre Carlo scheme favourably vlith conventional Monte Carlo procedures for chain molecules.