![\"Ravindra](\"http:\/\/catalysisclubphilly.org\/awe9a91v\/uploads\/2016\/10\/Ravindra_Datta_2016.png\")
<\/a>\nPro\u00adfes\u00adsor Ravin\u00addra Dat\u00adta<\/strong>
\nPro\u00adfes\u00adsor in the Depart\u00adment of Chem\u00adi\u00adcal Engi\u00adneer\u00ading,
\nFuel Cell Cen\u00adter,
\nWorch\u00adester Poly\u00adtech\u00adnic Insti\u00adtute
\n<\/em><\/p>\n
Abstract<\/strong> \u2014 Cat\u00adalyt\u00adic reac\u00adtion net\u00adworks, in gen\u00ader\u00adal, com\u00adprise of mul\u00adti\u00adple steps and path\u00adways. While one can now read\u00adi\u00adly pre\u00addict kinet\u00adics of these mol\u00ade\u00adc\u00adu\u00adlar steps from first prin\u00adci\u00adples, there is not yet avail\u00adable a com\u00adpre\u00adhen\u00adsive frame\u00adwork for: 1) visu\u00adal\u00adiz\u00ading and ana\u00adlyz\u00ading these reac\u00adtion net\u00adworks in their full com\u00adplex\u00adi\u00adty; and 2) unequiv\u00ado\u00adcal\u00adly iden\u00adti\u00adfy\u00ading the ger\u00admane steps and path\u00adways.<\/p>\n Thus, we have devel\u00adoped an approach called the \u201cReac\u00adtion Route (RR) Graph\u201d approach, which allows: 1) direct enu\u00admer\u00ada\u00adtion of all the path\u00adways as walks on the RR Graph; 2) ther\u00admo\u00addy\u00adnam\u00adic con\u00adsis\u00adtence of step kinet\u00adics; 3) elu\u00adci\u00adda\u00adtion of dom\u00adi\u00adnant path\u00adways that con\u00adtribute mate\u00adri\u00adal\u00adly to the over\u00adall flux; 4) iden\u00adti\u00adfi\u00adca\u00adtion of bot\u00adtle\u00adneck steps in each of these path\u00adways; and 5) devel\u00adop\u00adment of explic\u00adit rate laws based on the elec\u00adtri\u00adcal anal\u00ado\u00adgy.<\/p>\n The elec\u00adtri\u00adcal net\u00adwork anal\u00ado\u00adgy is based on two aspects of RR Graphs, name\u00adly: 1) qua\u00adsi-steady state (QSS) mass bal\u00adance of inter\u00adme\u00addi\u00adate species, the equiv\u00ada\u00adlent of the Kirchhoff\u2019s Cur\u00adrent Law (KCL) of elec\u00adtri\u00adcal cir\u00adcuits; and 2) Hess\u2019s law, or ther\u00admo\u00addy\u00adnam\u00adic con\u00adsis\u00adtence, the equiv\u00ada\u00adlent of the Kirchhoff\u2019s Poten\u00adtial Law (KPL), which makes RR Graphs pre\u00adcise\u00adly equiv\u00ada\u00adlent to elec\u00adtri\u00adcal net\u00adworks. Fur\u00adther, we define the step resis\u00adtance in terms of step kinet\u00adics to make the anal\u00ado\u00adgy com\u00adplete. The approach is described with the help of the water-gas shift exam\u00adple.<\/p>\n Biog\u00adra\u00adphy<\/strong> \u2014 Ravi Dat\u00adta is Pro\u00adfes\u00adsor of Chem\u00adi\u00adcal Engi\u00adneer\u00ading and Direc\u00adtor of WPI Fuel Cell Cen\u00adter. He obtained his Ph.D. degree from the Uni\u00adver\u00adsi\u00adty of Cal\u00adi\u00adfor\u00adnia, San\u00adta Bar\u00adbara, in 1981. From then until 1998, he was a Pro\u00adfes\u00adsor of Chem\u00adi\u00adcal Engi\u00adneer\u00ading at the Uni\u00adver\u00adsi\u00adty of Iowa, when he moved to WPI, and served as Chem\u00adi\u00adcal Engi\u00adneer\u00ading Depart\u00adment Head until 2005. Ravi\u2019s research is focused on cat\u00adalyt\u00adic and elec\u00adtro\u00adcat\u00adalyt\u00adic reac\u00adtion engi\u00adneer\u00ading of Clean Ener\u00adgy, includ\u00ading, fuel cells, hydro\u00adgen, renew\u00adable fuels, nov\u00adel cat\u00ada\u00adlysts, and cat\u00adalyt\u00adic reac\u00adtion net\u00adworks. He is a coau\u00adthor of 150 papers and 8 patents, and has been a men\u00adtor to 25 doc\u00adtor\u00adal stu\u00addents.<\/p>\n","protected":false},"excerpt":{"rendered":" Meet\u00ading Pro\u00adgram \u2014 Novem\u00adber 2016 Pro\u00adfes\u00adsor Ravin\u00addra Dat\u00adta Pro\u00adfes\u00adsor in the Depart\u00adment of Chem\u00adi\u00adcal Engi\u00adneer\u00ading, Fuel Cell Cen\u00adter, Worch\u00adester Poly\u00adtech\u00adnic Insti\u00adtute Abstract \u2014 Cat\u00adalyt\u00adic reac\u00adtion net\u00adworks, in gen\u00ader\u00adal, com\u00adprise of mul\u00adti\u00adple steps and path\u00adways. While one can now read\u00adi\u00adly pre\u00addict kinet\u00adics of these mol\u00ade\u00adc\u00adu\u00adlar steps from first prin\u00adci\u00adples, there is not yet avail\u00adable a [\u2026]<\/p>\n","protected":false},"author":5,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"ngg_post_thumbnail":0,"footnotes":""},"categories":[15,8],"tags":[],"class_list":["post-4651","post","type-post","status-publish","format-standard","hentry","category-abstracts","category-news"],"_links":{"self":[{"href":"http:\/\/catalysisclubphilly.org\/awe9a91v\/wp-json\/wp\/v2\/posts\/4651","targetHints":{"allow":["GET"]}}],"collection":[{"href":"http:\/\/catalysisclubphilly.org\/awe9a91v\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/catalysisclubphilly.org\/awe9a91v\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/catalysisclubphilly.org\/awe9a91v\/wp-json\/wp\/v2\/users\/5"}],"replies":[{"embeddable":true,"href":"http:\/\/catalysisclubphilly.org\/awe9a91v\/wp-json\/wp\/v2\/comments?post=4651"}],"version-history":[{"count":2,"href":"http:\/\/catalysisclubphilly.org\/awe9a91v\/wp-json\/wp\/v2\/posts\/4651\/revisions"}],"predecessor-version":[{"id":4654,"href":"http:\/\/catalysisclubphilly.org\/awe9a91v\/wp-json\/wp\/v2\/posts\/4651\/revisions\/4654"}],"wp:attachment":[{"href":"http:\/\/catalysisclubphilly.org\/awe9a91v\/wp-json\/wp\/v2\/media?parent=4651"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/catalysisclubphilly.org\/awe9a91v\/wp-json\/wp\/v2\/categories?post=4651"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/catalysisclubphilly.org\/awe9a91v\/wp-json\/wp\/v2\/tags?post=4651"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}