# Surface reaction boundary condition

 Register Blogs Members List Search Today's Posts Mark Forums Read

 March 11, 2011, 07:08 Surface reaction boundary condition #1 New Member   Raphael Tornay Join Date: Mar 2011 Location: Switzerland Posts: 4 Rep Power: 7 Dear all I am trying to simulate a situation where molecules transported by a liquid flowing in a channel can adsorb on the channel walls. Because the molecules do not affect the liquid transport I can start by simulating this (steady state) flow. This works reasonnably well. In a second stage I would like to add the transport of the molecule and its adsorption on the walls. The idea is to simulate the scalar transport with the adsorption/reaction as boundary condition (this is done e.g. by Squires, Messinger and Manalis,Nature Biotechnology 26, 417 - 426,2008 ). The scalar transport is described by a convection-diffusion equation and I think it's exactly what scalartransportfoam does. The reaction is a standard first order reaction: d b(t)/dt = kon*c*(bmax-b)-koff*b, where b is the surface concentration of the adsorbed molecule (and is what I ultimately want to calculate), c is the bulk concentration of the free molecule and kon/koff are the forward and backward rate constants. This means that I need to define a variable on boundaries only and simulate it. I have been browsing the forum for quite some time (e.g. on equations on boundaries) but I could not, with my very limited knowledge of openfoam, get a feeling of whether this is indeed possible and how much effort it would be to implement it. I would appreciate your feeling on this and maybe some pointer to documentation as a starting point. Cheers r

June 16, 2013, 23:29
#2
Member

Ovie Doro
Join Date: Jul 2009
Posts: 99
Rep Power: 9
Quote:
 Originally Posted by Raph Dear all I am trying to simulate a situation where molecules transported by a liquid flowing in a channel can adsorb on the channel walls. Because the molecules do not affect the liquid transport I can start by simulating this (steady state) flow. This works reasonnably well. In a second stage I would like to add the transport of the molecule and its adsorption on the walls. The idea is to simulate the scalar transport with the adsorption/reaction as boundary condition (this is done e.g. by Squires, Messinger and Manalis,Nature Biotechnology 26, 417 - 426,2008 ). The scalar transport is described by a convection-diffusion equation and I think it's exactly what scalartransportfoam does. The reaction is a standard first order reaction: d b(t)/dt = kon*c*(bmax-b)-koff*b, where b is the surface concentration of the adsorbed molecule (and is what I ultimately want to calculate), c is the bulk concentration of the free molecule and kon/koff are the forward and backward rate constants. This means that I need to define a variable on boundaries only and simulate it. I have been browsing the forum for quite some time (e.g. on equations on boundaries) but I could not, with my very limited knowledge of openfoam, get a feeling of whether this is indeed possible and how much effort it would be to implement it. I would appreciate your feeling on this and maybe some pointer to documentation as a starting point. Cheers r

Hi,

Have you made any progress on this solver? I am working on a similar project but with much less complexities with respect to the wall adsorption process. Can you share some of your insights?

Thanks.

 June 19, 2013, 03:38 #3 New Member   Raphael Tornay Join Date: Mar 2011 Location: Switzerland Posts: 4 Rep Power: 7 Hi I unfortunately cannot help you there: I did not pursue this project forward (pretty much left it at this stage). Cheers r

June 19, 2013, 12:24
#4
Member

Ovie Doro
Join Date: Jul 2009
Posts: 99
Rep Power: 9
Quote:
 Originally Posted by Raph Hi I unfortunately cannot help you there: I did not pursue this project forward (pretty much left it at this stage). Cheers r
OK.

Thanks.

 Thread Tools Display Modes Linear Mode

 Posting Rules You may not post new threads You may not post replies You may not post attachments You may not edit your posts BB code is On Smilies are On [IMG] code is On HTML code is OffTrackbacks are On Pingbacks are On Refbacks are On Forum Rules

 Similar Threads Thread Thread Starter Forum Replies Last Post alongalong2 Main CFD Forum 4 February 10, 2011 00:35 CFD XUE FLUENT 0 July 8, 2010 06:49 vineet FLUENT 2 April 14, 2002 06:13 boing Main CFD Forum 1 January 6, 2002 17:53 qlr Main CFD Forum 4 November 3, 1999 00:09

All times are GMT -4. The time now is 14:54.