{"id":396292,"date":"2024-12-04T16:17:56","date_gmt":"2024-12-04T16:17:56","guid":{"rendered":"https:\/\/innovationspace.ansys.com\/forum\/forums\/reply\/396292\/"},"modified":"2024-12-04T16:17:56","modified_gmt":"2024-12-04T16:17:56","slug":"396292","status":"publish","type":"reply","link":"https:\/\/innovationspace.ansys.com\/forum\/forums\/reply\/396292\/","title":{"rendered":"Reply To: Problem of surface kinetic input file for BSS ethylene flames (Flame C3) (SOOT)"},"content":{"rendered":"<p>&lt;p&gt;Hi:&lt;\/p&gt;&lt;p&gt;I am not sure what the site specie is in your example, but let&#8217;s assume it is carbon ( C(S) ) on a soot particle.&lt;\/p&gt;&lt;p&gt;For site species you need a declaration of site species in the reaction mechanism, like this:&lt;\/p&gt;&lt;p&gt;SITE\/SOOT\/ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;SDEN\/2.2524E-09\/&lt;br&gt;C(S)&lt;\/p&gt;&lt;p&gt;OPEN(S)&lt;\/p&gt;&lt;p&gt;END&lt;\/p&gt;&lt;p&gt;You can then use the site species in a reaction as below:&lt;\/p&gt;&lt;p&gt;C(S) + O2 &#8211;&gt; CO2(g) + OPEN(s)&lt;\/p&gt;&lt;p&gt;There must be a site balance for the reaction, so we introduce the dummy specie OPEN(S)&lt;\/p&gt;&lt;p&gt;&nbsp;OPEN(S) will have the same thermo entry as the specie that left it ( C(s) ), so that the properites balance, but OPEN(S) has no elements. (Note below in the THERMO entries that there is no H next to the 0 as there is for H(SE))&lt;\/p&gt;&lt;p&gt;<img decoding=\"async\" src=\"https:\/\/innovationspace.ansys.com\/forum\/wp-content\/uploads\/sites\/2\/2024\/12\/04-12-2024-1733328400-mceclip0.png\" \/>&lt;\/p&gt;&lt;p&gt;Site species usually exist on a MATERIAL, which I did not include in my example. The above example in grey is more complete and describes how to setup surface reactions on a dispersed solid&nbsp;&lt;\/p&gt;&lt;p&gt;You can find this described in the ChemkinTheory manual here:&lt;\/p&gt;&lt;p&gt;https:\/\/ansyshelp.ansys.com\/public\/\/\/\/Views\/Secured\/corp\/v242\/en\/chemkin_th\/pgfId-1316318.html&lt;\/p&gt;&lt;p&gt;&nbsp;&lt;\/p&gt;<\/p>\n","protected":false},"template":"","class_list":["post-396292","reply","type-reply","status-publish","hentry"],"aioseo_notices":[],"acf":[],"_links":{"self":[{"href":"https:\/\/innovationspace.ansys.com\/forum\/wp-json\/wp\/v2\/replies\/396292","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/innovationspace.ansys.com\/forum\/wp-json\/wp\/v2\/replies"}],"about":[{"href":"https:\/\/innovationspace.ansys.com\/forum\/wp-json\/wp\/v2\/types\/reply"}],"version-history":[{"count":0,"href":"https:\/\/innovationspace.ansys.com\/forum\/wp-json\/wp\/v2\/replies\/396292\/revisions"}],"wp:attachment":[{"href":"https:\/\/innovationspace.ansys.com\/forum\/wp-json\/wp\/v2\/media?parent=396292"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}