{"id":36997,"date":"2019-08-06T14:20:55","date_gmt":"2019-08-06T14:20:55","guid":{"rendered":"\/forum\/forums\/topic\/temperature-divergence-in-modelling-catalytic-surface-reaction-using-imported-chemkin-mechanism\/"},"modified":"2019-08-06T14:20:55","modified_gmt":"2019-08-06T14:20:55","slug":"temperature-divergence-in-modelling-catalytic-surface-reaction-using-imported-chemkin-mechanism","status":"closed","type":"topic","link":"https:\/\/innovationspace.ansys.com\/forum\/forums\/topic\/temperature-divergence-in-modelling-catalytic-surface-reaction-using-imported-chemkin-mechanism\/","title":{"rendered":"Temperature divergence in modelling catalytic surface reaction using imported CHEMKIN mechanism"},"content":{"rendered":"<p>Hi,<\/p>\n<p><\/p>\n<p>I am modelling catalytic surface reaction using imported CHEMKIN mechanism in a single-channel model via ANSYS Fluent. However, the model doesn&#8217;t converge at all and shows error message as below. I don&#8217;t quite understand what cause the &#8216;Invalid cp (000000e+00 J\/kgK) for chemkin-import at temperature 1.#QNAN0 K&#8217; in the error message, because I have checked the thermodynamic data file and it looks alright. Can anyone tell me what causes this issue please?&nbsp;<\/p>\n<p><\/p>\n<p><img decoding=\"async\" src=\"https:\/\/us.v-cdn.net\/6032193\/uploads\/attachments\/577ada57-35f5-4386-97bc-aa7e00cfb07d\/83ba6b31-92db-41de-83bb-aaa100e91e13_2.jpg?width=690&amp;upscale=false\" alt=\"\"><\/p>\n<p><\/p>\n<p><img decoding=\"async\" src=\"https:\/\/us.v-cdn.net\/6032193\/uploads\/attachments\/577ada57-35f5-4386-97bc-aa7e00cfb07d\/081ff4e7-3e3a-4a6f-8dba-aaa100e9496c_3.jpg?width=690&amp;upscale=false\" alt=\"\"><\/p>\n<p><\/p>\n<p>The CHEMKIN mechanism describes elementary reactions of C3H6, CO oxidation and NO reduction over a Pt\/Rh catalyst, and the mechanism was obtained from following website:&nbsp;<a href=\"https:\/\/www.detchem.com\/mechanisms\">https:\/\/www.detchem.com\/mechanisms<\/a>.&nbsp;I imported the mechanism and related thermodynamic data file into Fluent according to the steps listed in User&#8217;s Manual and the mechanism was successfully imported as shown below.&nbsp;<\/p>\n<p><\/p>\n<p><img decoding=\"async\" src=\"https:\/\/us.v-cdn.net\/6032193\/uploads\/attachments\/577ada57-35f5-4386-97bc-aa7e00cfb07d\/77a23233-c2f6-4a18-9f35-aaa100e80f2d_1.jpg?width=690&amp;upscale=false\" alt=\"\"><\/p>\n<p><\/p>\n<p>For the reference, I chose pressure-based solver and transient simulation. The energy model and species transport model was switched on, and the flow was assumed to be laminar.&nbsp;<\/p>\n<p><\/p>\n<p>Many thanks,<\/p>\n<p><\/p>\n<p>Zoe<\/p>\n","protected":false},"template":"","class_list":["post-36997","topic","type-topic","status-closed","hentry"],"aioseo_notices":[],"acf":[],"custom_fields":[{"0":{"_bbp_old_topic_id":["9172"],"_bbp_old_topic_author_name_id":["Anonymous"],"_bbp_old_is_topic_anonymous_id":["false"],"_bbp_old_closed_status_id":["publish"],"_bbp_author_ip":[null],"_bbp_old_sticky_status_id":["normal"],"_bbp_likes_count":["0","0"],"_btv_view_count":["434"],"_bbp_subscription":["241137"],"_bbp_topic_status":["unanswered"],"_bbp_status":["publish"],"_bbp_topic_id":["36997"],"_bbp_forum_id":["27792"],"_bbp_engagement":["166475","188058"],"_bbp_voice_count":["2"],"_bbp_reply_count":["1"],"_bbp_last_reply_id":["148540"],"_bbp_last_active_id":["148540"],"_bbp_last_active_time":["2021-03-29 09:28:25"]},"test":"zoeyuan"}],"_links":{"self":[{"href":"https:\/\/innovationspace.ansys.com\/forum\/wp-json\/wp\/v2\/topics\/36997","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/innovationspace.ansys.com\/forum\/wp-json\/wp\/v2\/topics"}],"about":[{"href":"https:\/\/innovationspace.ansys.com\/forum\/wp-json\/wp\/v2\/types\/topic"}],"version-history":[{"count":0,"href":"https:\/\/innovationspace.ansys.com\/forum\/wp-json\/wp\/v2\/topics\/36997\/revisions"}],"wp:attachment":[{"href":"https:\/\/innovationspace.ansys.com\/forum\/wp-json\/wp\/v2\/media?parent=36997"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}