A Computational Fluid Dynamics Approach to Nucleation in the Water−Sulfuric Acid System

0346366 - ÚCHP 2011 RIV US eng J - Journal Article
Herrmann, E. - Brus, David - Hyvärinen, A.-P. - Stratmann, F. - Wilck, M. - Lihavainen, H. - Kulmala, M.
A Computational Fluid Dynamics Approach to Nucleation in the Water−Sulfuric Acid System.
Journal of Physical Chemistry A. Roč. 114, č. 31 (2010), s. 8033-8042. ISSN 1089-5639. E-ISSN 1520-5215
Grant - others:AFCE(FI) 1118615
Institutional research plan: CEZ:AV0Z40720504
Keywords : fluid dynamics modeling * kinetic nucleation theory * relative humidity
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.732, year: 2010

This study presents a computational fluid dynamics modeling approach to investigate the nucleation in the water−sulfuric acid system in a flow tube. On the basis of an existing experimental setup we first establish the effect of convection on the flow profile. We describe the nucleation zone in detail and determine how flow rate and relative humidity affect its characteristics. Experimental nucleation rates are compared to rates gained from classical binary and kinetic nucleation theory as well as cluster activation theory. For low RH values, kinetic theory yields the best agreement with experimental results while binary nucleation best reproduces the experimental nucleation behavior at 50% relative humidity. Particle growth is modeled for an example case at 50% relative humidity. The final simulated diameter is very close to the experimental result.
Permanent Link: http://hdl.handle.net/11104/0005974