Thematic Unit of Excellence on Computational Materials Science
S. N. Bose National Centre for basic Sciences

Transport through narrow channels and tortuous path

Fig. 1: particles confined in a narrow channel

Transport through narrow channels is an important and biologically relevant research area as mass and signal transfer involve such narrow channels . Extra complications arise in cases where the channel dimension becomes comparable to that of the moving entity, hindering “Brownian” motion as solute-surface interaction significantly modifies such movement. The motion becomes “sticky” and new formalism is warranted for describing such sticky motions. Atomistic simulations over a very long period of time can reveal the slow long time dynamics of such systems and assist in accurate development of analytical theories. Also, particle movements in such narrow path are relevant in oil industry as molecular level understanding of this phenomenon can supply useful information regarding hydrocarbon separation and/or regulated use of fuel to some engineering components.