{"action":"created","issue":{"url":"https://api.github.com/repos/libantioch/antioch/issues/173","labels_url":"https://api.github.com/repos/libantioch/antioch/issues/173/labels{/name}","comments_url":"https://api.github.com/repos/libantioch/antioch/issues/173/comments","events_url":"https://api.github.com/repos/libantioch/antioch/issues/173/events","html_url":"https://github.com/libantioch/antioch/issues/173","id":128944195,"number":173,"title":"Troe Falloff Reactions and LOW reaction","user":{"login":"dsondak","id":8183878,"avatar_url":"https://avatars.githubusercontent.com/u/8183878?v=3","gravatar_id":"","url":"https://api.github.com/users/dsondak","html_url":"https://github.com/dsondak","followers_url":"https://api.github.com/users/dsondak/followers","following_url":"https://api.github.com/users/dsondak/following{/other_user}","gists_url":"https://api.github.com/users/dsondak/gists{/gist_id}","starred_url":"https://api.github.com/users/dsondak/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/dsondak/subscriptions","organizations_url":"https://api.github.com/users/dsondak/orgs","repos_url":"https://api.github.com/users/dsondak/repos","events_url":"https://api.github.com/users/dsondak/events{/privacy}","received_events_url":"https://api.github.com/users/dsondak/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"milestone":null,"comments":1,"created_at":"2016-01-26T21:14:46Z","updated_at":"2016-01-26T21:55:26Z","closed_at":null,"body":"I would like to provide Antioch with an XML input for a hydrogen-air mechanism.  The Chemkin file contains the following reaction (among many others):\r\n\r\n2OH(+M)<=>H2O2(+M)                       7.400E+13    -.370        .00\r\n     LOW  /  2.300E+18    -.900  -1700.00/\r\n     TROE/   .7346   94.00  1756.00  5182.00 /\r\nH2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ \r\n\r\nAfter discussions with @hovr2pi , I understand the first line to actually be two different reactions:\r\n2OH <=> H2O2\r\nand\r\n2OH + M <=> H2O2 + M.\r\n\r\nFrom my understanding, the first reaction is just an elementary reaction with parameters given by the last three numbers on the first line.\r\n\r\nThe second reaction is where I am confused.  It does not appear to be the usual ThreeBody reaction (with efficiencies given in the last line).  From discussions with @hovr2pi (and consultations with the Antioch documentation) I understand that Antioch can handle Troe Falloff reactions (with parameters presumably given by the TROE line).  However, I am not sure what to do about the LOW line.  Is it just the parameters for a usual three-body reaction?  Moreover, I simply do not know which one to implement.\r\n\r\nThanks for any help.  Please let me know if you require any clarification."},"comment":{"url":"https://api.github.com/repos/libantioch/antioch/issues/comments/175249948","html_url":"https://github.com/libantioch/antioch/issues/173#issuecomment-175249948","issue_url":"https://api.github.com/repos/libantioch/antioch/issues/173","id":175249948,"user":{"login":"variscarey","id":6809561,"avatar_url":"https://avatars.githubusercontent.com/u/6809561?v=3","gravatar_id":"","url":"https://api.github.com/users/variscarey","html_url":"https://github.com/variscarey","followers_url":"https://api.github.com/users/variscarey/followers","following_url":"https://api.github.com/users/variscarey/following{/other_user}","gists_url":"https://api.github.com/users/variscarey/gists{/gist_id}","starred_url":"https://api.github.com/users/variscarey/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/variscarey/subscriptions","organizations_url":"https://api.github.com/users/variscarey/orgs","repos_url":"https://api.github.com/users/variscarey/repos","events_url":"https://api.github.com/users/variscarey/events{/privacy}","received_events_url":"https://api.github.com/users/variscarey/received_events","type":"User","site_admin":false},"created_at":"2016-01-26T21:55:26Z","updated_at":"2016-01-26T21:55:26Z","body":"Technically it is one pressure dependent reaction.  At the low pressure\nlimit the 3rd body(+M) is required for the reaction.  At high pressure it\nis the other (no M) reaction.  The falloff model is the TROE type and as\nyou state, specifies the type and parameters for the model between the low\nand high-pressure limits.\n\nFor more details see section 2.4.3.(pressure dependent reactions) in the\nChemkin manual.\n\nBest,\nVaris\n\n\nOn Tue, Jan 26, 2016 at 2:14 PM, dsondak <notifications@github.com> wrote:\n\n> I would like to provide Antioch with an XML input for a hydrogen-air\n> mechanism The Chemkin file contains the following reaction (among many\n> others):\n>\n> 2OH(+M)<=>H2O2(+M) 7400E+13 -370 00\n> LOW / 2300E+18 -900 -170000/\n> TROE/ 7346 9400 175600 518200 /\n> H2/200/ H2O/600/ CH4/200/ CO/150/ CO2/200/ C2H6/300/ AR/ 70/\n>\n> After discussions with @hovr2pi <https://github.com/hovr2pi> , I\n> understand the first line to actually be two different reactions:\n> 2OH <=> H2O2\n> and\n> 2OH + M <=> H2O2 + M\n>\n> From my understanding, the first reaction is just an elementary reaction\n> with parameters given by the last three numbers on the first line\n>\n> The second reaction is where I am confused It does not appear to be the\n> usual ThreeBody reaction (with efficiencies given in the last line) From\n> discussions with @hovr2pi <https://github.com/hovr2pi> (and consultations\n> with the Antioch documentation) I understand that Antioch can handle Troe\n> Falloff reactions (with parameters presumably given by the TROE line)\n> However, I am not sure what to do about the LOW line Is it just the\n> parameters for a usual three-body reaction? Moreover, I simply do not know\n> which one to implement\n>\n> Thanks for any help Please let me know if you require any clarification\n>\n> —\n> Reply to this email directly or view it on GitHub\n> <https://github.com/libantioch/antioch/issues/173>.\n>\n\n\n\n-- \nVaris Carey\nAssistant Professor\nDepartment of Mathematical and Statistical Sciences\nUniversity of Colorado Denver\n"}}