{"id":382723,"date":"2024-09-16T03:50:45","date_gmt":"2024-09-16T03:50:45","guid":{"rendered":"https:\/\/innovationspace.ansys.com\/forum\/forums\/topic\/heterogeneous-surface-reaction-chemkin-error\/"},"modified":"2024-09-16T03:50:45","modified_gmt":"2024-09-16T03:50:45","slug":"heterogeneous-surface-reaction-chemkin-error","status":"publish","type":"topic","link":"https:\/\/innovationspace.ansys.com\/forum\/forums\/topic\/heterogeneous-surface-reaction-chemkin-error\/","title":{"rendered":"Heterogeneous Surface Reaction: Chemkin Error"},"content":{"rendered":"<p>&lt;div&gt;Hello All,&nbsp;&lt;br&gt;Greetings!&nbsp;&lt;br&gt;&lt;br&gt;I am trying to simulate the Steam methane reforming reaction in Ansys chemkin.&nbsp;&lt;br&gt;&lt;br&gt;I have developed&nbsp;&lt;br&gt;1. gas phase reaction files&lt;br&gt;2. surface reaction files&lt;br&gt;3. Thermodynamic data files&lt;br&gt;4. transport data file.&nbsp;&lt;br&gt;&lt;br&gt;This is a heterogeneous reaction.&nbsp;&lt;br&gt;&lt;br&gt;The above files successfully get imported to chemkin, but while running the simulation, I am getting the following error.&nbsp;&lt;br&gt;&lt;br&gt;&#8221; DASPK&#8211;&nbsp; AT T (=R1) AND STEPSIZE H (=R2) THE&nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;&nbsp;&lt;\/div&gt;&lt;div&gt;&nbsp; &nbsp; &nbsp; In above,&nbsp; R1 =&nbsp; 0.3196622577504D-10&nbsp; &nbsp;R2 =&nbsp; 0.7023828905648D-15&lt;\/div&gt;&lt;div&gt;&nbsp;DASPK&#8211;&nbsp; ITERATION MATRIX IS SINGULAR.&nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;&nbsp;&lt;\/div&gt;&lt;div&gt;&nbsp;&lt;\/div&gt;&lt;div&gt;&nbsp; &nbsp; &nbsp; &nbsp; &nbsp; SITE FRACTIONS AT REACTOR INLET CANNOT BE FOUND&lt;\/div&gt;&lt;div&gt;&nbsp;&lt;\/div&gt;&lt;div&gt;&nbsp; &nbsp; &nbsp; &nbsp; &nbsp; THE MATRIX OF PARTIAL DERIVATIVES MAYBE SINGULAR&lt;\/div&gt;&lt;div&gt;&nbsp;&lt;\/div&gt;&lt;div&gt;&nbsp; &nbsp; &nbsp; &nbsp; &nbsp; SEARCH FOR INLET SITE COVERAGE TERMINATED DUE TO ERROR(S)&lt;\/div&gt;&lt;div&gt;&nbsp;&lt;\/div&gt;&lt;div&gt;&nbsp; &nbsp; &nbsp; &nbsp; &nbsp; Attempting to proceed without solution of initial surface site fractions&#8221;&lt;br&gt;&lt;br&gt;Kindly help me in resolving the issue.&nbsp;&lt;\/div&gt;&lt;p&gt;&nbsp;&lt;\/p&gt;<\/p>\n","protected":false},"template":"","class_list":["post-382723","topic","type-topic","status-publish","hentry","topic-tag-chemkin","topic-tag-chemkin-import-1","topic-tag-chemkin-mechanism","topic-tag-chemkin-mechanisms","topic-tag-chemkin-pro","topic-tag-error","topic-tag-fluent","topic-tag-heterogeneous-reaction","topic-tag-simulation"],"aioseo_notices":[],"aioseo_head":"\n\t\t<!-- All in One SEO 4.9.10 - aioseo.com -->\n\t<meta name=\"description\" content=\"Hello All, Greetings! I am trying to simulate the Steam methane reforming reaction in Ansys chemkin. I have developed 1. gas phase reaction files2. surface reaction files3. Thermodynamic data files4. transport data file. This is a heterogeneous reaction. The above files successfully get imported to chemkin, but while running the simulation, I am getting the following error. &quot; DASPK-- AT T (=R1)\" \/>\n\t<meta name=\"robots\" content=\"max-image-preview:large\" \/>\n\t<link rel=\"canonical\" href=\"https:\/\/innovationspace.ansys.com\/forum\/forums\/topic\/heterogeneous-surface-reaction-chemkin-error\/\" \/>\n\t<meta name=\"generator\" content=\"All in One SEO (AIOSEO) 4.9.10\" \/>\n\t\t<meta property=\"og:locale\" content=\"en_US\" \/>\n\t\t<meta property=\"og:site_name\" content=\"Ansys Learning Forum | Ansys Innovation Space\" \/>\n\t\t<meta property=\"og:type\" content=\"article\" \/>\n\t\t<meta property=\"og:title\" content=\"Heterogeneous Surface Reaction: Chemkin Error | Ansys Learning Forum\" \/>\n\t\t<meta property=\"og:description\" content=\"Hello All, Greetings! I am trying to simulate the Steam methane reforming reaction in Ansys chemkin. I have developed 1. gas phase reaction files2. surface reaction files3. 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The above files successfully get imported to chemkin, but while running the simulation, I am getting the following error. &quot; DASPK-- AT T (=R1)\" \/>\n\t\t<script type=\"application\/ld+json\" class=\"aioseo-schema\">\n\t\t\t{\"@context\":\"https:\\\/\\\/schema.org\",\"@graph\":[{\"@type\":\"BreadcrumbList\",\"@id\":\"https:\\\/\\\/innovationspace.ansys.com\\\/forum\\\/forums\\\/topic\\\/heterogeneous-surface-reaction-chemkin-error\\\/#breadcrumblist\",\"itemListElement\":[{\"@type\":\"ListItem\",\"@id\":\"https:\\\/\\\/innovationspace.ansys.com\\\/forum#listItem\",\"position\":1,\"name\":\"Home\",\"item\":\"https:\\\/\\\/innovationspace.ansys.com\\\/forum\",\"nextItem\":{\"@type\":\"ListItem\",\"@id\":\"https:\\\/\\\/innovationspace.ansys.com\\\/forum\\\/topics\\\/#listItem\",\"name\":\"Topics\"}},{\"@type\":\"ListItem\",\"@id\":\"https:\\\/\\\/innovationspace.ansys.com\\\/forum\\\/topics\\\/#listItem\",\"position\":2,\"name\":\"Topics\",\"item\":\"https:\\\/\\\/innovationspace.ansys.com\\\/forum\\\/topics\\\/\",\"nextItem\":{\"@type\":\"ListItem\",\"@id\":\"https:\\\/\\\/innovationspace.ansys.com\\\/forum\\\/forums\\\/topic-tag\\\/fluent\\\/#listItem\",\"name\":\"fluent\"},\"previousItem\":{\"@type\":\"ListItem\",\"@id\":\"https:\\\/\\\/innovationspace.ansys.com\\\/forum#listItem\",\"name\":\"Home\"}},{\"@type\":\"ListItem\",\"@id\":\"https:\\\/\\\/innovationspace.ansys.com\\\/forum\\\/forums\\\/topic-tag\\\/fluent\\\/#listItem\",\"position\":3,\"name\":\"fluent\",\"item\":\"https:\\\/\\\/innovationspace.ansys.com\\\/forum\\\/forums\\\/topic-tag\\\/fluent\\\/\",\"nextItem\":{\"@type\":\"ListItem\",\"@id\":\"https:\\\/\\\/innovationspace.ansys.com\\\/forum\\\/forums\\\/topic\\\/heterogeneous-surface-reaction-chemkin-error\\\/#listItem\",\"name\":\"Heterogeneous Surface Reaction: Chemkin Error\"},\"previousItem\":{\"@type\":\"ListItem\",\"@id\":\"https:\\\/\\\/innovationspace.ansys.com\\\/forum\\\/topics\\\/#listItem\",\"name\":\"Topics\"}},{\"@type\":\"ListItem\",\"@id\":\"https:\\\/\\\/innovationspace.ansys.com\\\/forum\\\/forums\\\/topic\\\/heterogeneous-surface-reaction-chemkin-error\\\/#listItem\",\"position\":4,\"name\":\"Heterogeneous Surface Reaction: Chemkin Error\",\"previousItem\":{\"@type\":\"ListItem\",\"@id\":\"https:\\\/\\\/innovationspace.ansys.com\\\/forum\\\/forums\\\/topic-tag\\\/fluent\\\/#listItem\",\"name\":\"fluent\"}}]},{\"@type\":\"Organization\",\"@id\":\"https:\\\/\\\/innovationspace.ansys.com\\\/forum\\\/#organization\",\"name\":\"Ansys Learning Forum\",\"description\":\"Ansys Innovation Space\",\"url\":\"https:\\\/\\\/innovationspace.ansys.com\\\/forum\\\/\"},{\"@type\":\"WebPage\",\"@id\":\"https:\\\/\\\/innovationspace.ansys.com\\\/forum\\\/forums\\\/topic\\\/heterogeneous-surface-reaction-chemkin-error\\\/#webpage\",\"url\":\"https:\\\/\\\/innovationspace.ansys.com\\\/forum\\\/forums\\\/topic\\\/heterogeneous-surface-reaction-chemkin-error\\\/\",\"name\":\"Heterogeneous Surface Reaction: Chemkin Error | Ansys Learning Forum\",\"description\":\"Hello All, Greetings! 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I am trying to simulate the Steam methane reforming reaction in Ansys chemkin. I have developed 1. gas phase reaction files2. surface reaction files3. Thermodynamic data files4. transport data file. This is a heterogeneous reaction. 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I am trying to simulate the Steam methane reforming reaction in Ansys chemkin. I have developed 1. gas phase reaction files2. surface reaction files3. Thermodynamic data files4. transport data file. This is a heterogeneous reaction. The above files successfully get imported to chemkin, but while running the simulation, I am getting the following error. &quot; DASPK-- AT T (=R1)","og:url":"https:\/\/innovationspace.ansys.com\/forum\/forums\/topic\/heterogeneous-surface-reaction-chemkin-error\/","article:published_time":"2024-09-16T03:50:45+00:00","article:modified_time":"2024-09-16T03:50:45+00:00","twitter:card":"summary_large_image","twitter:title":"Heterogeneous Surface Reaction: Chemkin Error | Ansys Learning Forum","twitter:description":"Hello All, Greetings! I am trying to simulate the Steam methane reforming reaction in Ansys chemkin. I have developed 1. gas phase reaction files2. surface reaction files3. Thermodynamic data files4. transport data file. 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