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Projects / Programmes source: ARIS

Modeling of fluid transport in nanotubes

Research activity

Code Science Field Subfield
2.13.00  Engineering sciences and technologies  Process engineering   

Code Science Field
T130  Technological sciences  Production technology 
Keywords
nanotechnology, nanotubes, nanofluidics, molecular dynamics, separation membranes
Evaluation (rules)
source: COBISS
Researchers (6)
no. Code Name and surname Research area Role Period No. of publicationsNo. of publications
1.  32442  PhD Oriol Costa Garrido  Energy engineering  Researcher  2010  91 
2.  05570  PhD Ivo Kljenak  Energy engineering  Head  2007 - 2010  466 
3.  16435  PhD Boštjan Končar  Energy engineering  Researcher  2007 - 2010  367 
4.  32443  Armando F. Quiles Agustin    Technical associate  2010 
5.  12057  PhD Iztok Tiselj  Energy engineering  Researcher  2007 - 2010  467 
6.  29182  PhD Mitja Uršič  Process engineering  Researcher  2007 - 2010  265 
Organisations (1)
no. Code Research organisation City Registration number No. of publicationsNo. of publications
1.  0106  Jožef Stefan Institute  Ljubljana  5051606000  90,600 
Abstract
The proposed research deals with the theoretical investigation of fluid (liquid and gas) transport in narrow carbon nanotubes. A model based on simulation using molecular dynamics methodology will be developed. The model will be able to simulate transport (pressure-driven flow and diffusion) of single and multicomponent gases and liquids. The model will first be validated by comparing simulation results to results of other simulations from the literature. The model will then be used to study the properties of fluid transport in narrow carbon nanotubes, especially the selective partitioning of gases from gas mixtures and solutes from mixtures or solutions. The main purpose is to investigate the possibilities of using carbon nanotubes in the development of separation membranes in process engineering.
Significance for science
The research belongs to the general field of research of phenomena on the nanoscale. The research generates new knowledge on the properties and behaviour on fluids, confined at the nanoscale: — adsorption selectivity of carbon nanotubes, — properties of gas diffusion in nanotubes, — properties of diffusion of particular components in multicomponent gas mixtures in nanotubes, — convective flowrate of gases through nanotubes.
Significance for the country
So far, nanotubes have been applied in technical applications mostly in electronics (because of their electrical conductivity properties) and materials (because of their structural properties), whereas their use in process engineeering was less emphasized. Nanotubes could be used in process engineering due to specific properties of fluid (liquid and gas) transport (pressure-driven flow and diffusion) on the nanoscale. In the initial phase, the results of the proposed research could be applied to the use of nanotubes in the development of separation membranes for industrial processes in unit operations or other fields in process engineering. Namely, theoretical investigations show that nanotube-based membranes could have both high selectivity and fluxes, which is a long standing goal of membrane technology. Simulations of fluid flow could later be used in the design of other systems, where fluid is being transported through nanotubes.
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