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<html xmlns="http://www.w3.org/1999/xhtml"> <head> <meta charset="utf-8"> <meta name="generator" content="pdf2htmlEX"> <meta http-equiv="X-UA-Compatible" content="IE=edge,chrome=1"> <link rel="stylesheet" href="https://static.pudn.com/base/css/base.min.css"> <link rel="stylesheet" href="https://static.pudn.com/base/css/fancy.min.css"> <link rel="stylesheet" href="https://static.pudn.com/prod/directory_preview_static/625d22d6be9ad24cfa7a2e75/raw.css"> <script src="https://static.pudn.com/base/js/compatibility.min.js"></script> <script src="https://static.pudn.com/base/js/pdf2htmlEX.min.js"></script> <script> try{ pdf2htmlEX.defaultViewer = new pdf2htmlEX.Viewer({}); }catch(e){} </script> <title></title> </head> <body> <div id="sidebar" style="display: none"> <div id="outline"> </div> </div> <div id="pf1" class="pf w0 h0" data-page-no="1"><div class="pc pc1 w0 h0"><img class="bi x0 y0 w1 h1" alt="" src="https://static.pudn.com/prod/directory_preview_static/625d22d6be9ad24cfa7a2e75/bg1.jpg"><div class="t m0 x1 h2 y1 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x2 h3 y2 ff2 fs1 fc0 sc0 ls1 ws1"> SEN-036-1 </div><div class="t m0 x2 h3 y3 ff2 fs1 fc0 sc0 ls2 ws0"> C<span class="_ _0"></span><span class="fs0 ls3">HEMKIN<span class="fs1 ls4 ws2"> Collection Release 3.6 </span></span></div><div class="t m0 x2 h3 y4 ff2 fs1 fc0 sc0 ls5 ws3"> September <span class="_ _1"></span>2000<span class="ff1 fs0 ls0 ws0"> </span></div><div class="t m0 x1 h2 y5 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y6 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y7 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y8 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x3 h4 y9 ff2 fs2 fc0 sc0 ls6 ws0">SENKIN </div><div class="t m0 x1 h2 ya ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x4 h5 yb ff2 fs3 fc0 sc0 ls0 ws4">A PROGRAM FOR PREDICTING HOMOGENEOUS </div><div class="t m0 x5 h5 yc ff2 fs3 fc0 sc0 ls7 ws5">GAS-PHASE CHEMICAL KINETICS IN A CLOSED </div><div class="t m0 x6 h5 yd ff2 fs3 fc0 sc0 ls7 ws5">SYSTEM WITH SENSITIVITY ANALYSIS </div><div class="t m0 x7 h5 ye ff2 fs3 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 yf ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y10 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y11 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y12 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y13 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y14 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y15 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y16 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y17 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y18 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y19 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y1a ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y1b ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y1c ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y1d ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y1e ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y1f ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y20 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y21 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y22 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h6 y23 ff2 fs4 fc0 sc0 ls8 ws6"> Reaction <span class="_ _2"></span>Design </div></div><div class="pi" data-data='{"ctm":[1.568627,0.000000,0.000000,1.568627,0.000000,0.000000]}'></div></div> </body> </html>

<div id="pf2" class="pf w0 h0" data-page-no="2"><div class="pc pc2 w0 h0"><img class="bi x0 y0 w1 h1" alt="" src="https://static.pudn.com/prod/directory_preview_static/625d22d6be9ad24cfa7a2e75/bg2.jpg"><div class="t m0 x1 h2 y24 ff1 fs0 fc0 sc0 ls9 ws7"> 2 <span class="_ _3"></span> </div><div class="t m0 x1 h7 y25 ff2 fs5 fc0 sc0 lsa ws0">Licensin<span class="_ _4"></span>g:</div><div class="t m0 x1 h7 y26 ff2 fs5 fc0 sc0 lsa ws0">Licensin<span class="_ _4"></span>g:<span class="_ _5"></span>Licensin<span class="_ _4"></span>g:</div><div class="t m0 x1 h7 y25 ff2 fs5 fc0 sc0 lsb ws0">Licensin<span class="_ _4"></span>g: </div><div class="t m0 x8 h7 y26 ff2 fs5 fc0 sc0 lsc ws0"> </div><div class="t m0 x8 h7 y25 ff2 fs5 fc0 sc0 ls0 ws0"> </div><div class="t m0 x9 h3 y27 ff2 fs1 fc0 sc0 lsd ws8">For licensing information, please contact Reac<span class="_ _4"></span>tion Design. </div><div class="t m0 x9 h3 y28 ff2 fs1 fc0 sc0 lsd ws8">(858) 550-1920 (USA) or C<span class="fs0 ls3 ws0">HEMKIN<span class="fs1 lse">@ReactionDesign.com </span></span></div><div class="t m0 x1 h7 y29 ff2 fs5 fc0 sc0 lsf ws9">Technical Support:</div><div class="t m0 x1 h7 y2a ff2 fs5 fc0 sc0 lsf ws9">Technical Support:<span class="_ _6"></span>Technical Support:</div><div class="t m0 x1 h7 y29 ff2 fs5 fc0 sc0 lsf ws9">Technical Support:<span class="_ _4"></span> </div><div class="t m0 xa h7 y2a ff2 fs5 fc0 sc0 lsc ws0"> </div><div class="t m0 xa h7 y29 ff2 fs5 fc0 sc0 ls0 ws0"> </div><div class="t m0 x9 h3 y2b ff2 fs1 fc0 sc0 lse wsa">Reaction Design provides an allotment of technical support to its Lic<span class="_ _4"></span>ensees free of charge. To request </div><div class="t m0 x9 h3 y2c ff2 fs1 fc0 sc0 ls5 wsb">technical support, please include your lic<span class="_ _4"></span>ense number along with input or output files, and any error </div><div class="t m0 x9 h3 y2d ff2 fs1 fc0 sc0 lse wsa">messages pertaining to your question or problem. Requests may be directed in the following manner: </div><div class="t m0 x9 h3 y2e ff2 fs1 fc0 sc0 ls10 wsc">E-Mail: Support@ReactionDesign.c<span class="_ _4"></span>om, Fax: (858) 550-1925, Phone:<span class="_ _4"></span> (858) 550-1920. </div><div class="t m0 x9 h3 y2f ff2 fs1 fc0 sc0 lse wsa">Technical support may also be purchased. Please c<span class="_ _4"></span>ontact Reaction Design for the technic<span class="_ _4"></span>al support </div><div class="t m0 x9 h3 y30 ff2 fs1 fc0 sc0 ls5 wsb">hourly rates at Support@ReactionDesign.com or (858) 550-1920 (USA). </div><div class="t m0 x1 h7 y31 ff2 fs5 fc0 sc0 ls11 ws0">Copyright:</div><div class="t m0 x1 h7 y32 ff2 fs5 fc0 sc0 ls11 ws0">Copyright:<span class="_ _7"></span>Copyright:</div><div class="t m0 x1 h7 y31 ff2 fs5 fc0 sc0 ls11 ws0">Copyright: </div><div class="t m0 x8 h7 y32 ff2 fs5 fc0 sc0 lsc ws0"> </div><div class="t m0 x8 h7 y31 ff2 fs5 fc0 sc0 ls0 ws0"> </div><div class="t m0 x9 h3 y33 ff2 fs1 fc0 sc0 ls5 wsb">Copyright© 2000 Reaction Design. All rights reserved. No part of this book may be reproduced in any </div><div class="t m0 x9 h3 y34 ff2 fs1 fc0 sc0 lse wsa">form or by any means without express written permission from Reaction Design. </div><div class="t m0 x1 h7 y35 ff2 fs5 fc0 sc0 ls12 ws0">Trademark:</div><div class="t m0 x1 h7 y36 ff2 fs5 fc0 sc0 ls12 ws0">Trademark:<span class="_ _8"></span>Trademark:</div><div class="t m0 x1 h7 y35 ff2 fs5 fc0 sc0 ls12 ws0">Trademark: </div><div class="t m0 xb h7 y36 ff2 fs5 fc0 sc0 lsc ws0"> </div><div class="t m0 xb h7 y35 ff2 fs5 fc0 sc0 ls0 ws0"> </div><div class="t m0 x9 h3 y37 ff2 fs1 fc0 sc0 ls0 ws0">A<span class="fs0 ls13">URORA</span><span class="ls1">, C<span class="fs0 ls3">HEMKIN</span><span class="lsd ws8">, The C</span><span class="fs0 ls3">HEMKIN</span><span class="ls5 wsb"> Collection, C</span><span class="fs0 ls14">ONP</span>, C<span class="fs0 ls15">RESLAF</span>, E<span class="fs0 ls16">QUIL</span><span class="ls17 wsd">, Equilib, O</span><span class="fs0 ls18">PPDIF</span>, P<span class="fs0 ls19">LUG</span>, P<span class="fs0 ls1a">REMIX</span><span class="lsd ws8">, Reaction </span></span></div><div class="t m0 x9 h3 y38 ff2 fs1 fc0 sc0 lsd ws8">Design, S<span class="fs0 ls1b ws0">ENKIN<span class="fs1 ls1">, S</span><span class="ls1c">HOCK<span class="fs1 ls1">, S</span><span class="ls1d">PIN<span class="fs1 ls1">, S</span><span class="ls1e">URFACE <span class="fs1 ls0">C</span><span class="ls3">HEMKIN<span class="fs1 ls1">, S</span><span class="ls1f">URFTHERM<span class="fs1 ls1">, T</span><span class="ls20">RANSPORT<span class="_ _4"></span><span class="fs1 ls1">, T<span class="fs0 ls21">WOPNT</span><span class="ls22 wse"> are all trademarks of </span></span></span></span></span></span></span></span></span></div><div class="t m0 x9 h3 y39 ff2 fs1 fc0 sc0 lsd ws8">Reaction Design or Sandia National Laboratories. </div><div class="t m0 x1 h7 y3a ff2 fs5 fc0 sc0 ls23 wsf">Limi<span class="_ _9"></span>tation o<span class="_ _9"></span>f Warranty:</div><div class="t m0 x1 h7 y3b ff2 fs5 fc0 sc0 ls23 wsf">Limi<span class="_ _9"></span>tation o<span class="_ _9"></span>f Warranty:<span class="_ _a"></span>Limi<span class="_ _9"></span>tation o<span class="_ _9"></span>f Warranty:</div><div class="t m0 x1 h7 y3a ff2 fs5 fc0 sc0 ls23 wsf">Limi<span class="_ _9"></span>tation o<span class="_ _9"></span>f Warranty: </div><div class="t m0 xc h7 y3b ff2 fs5 fc0 sc0 lsc ws0"> </div><div class="t m0 xc h7 y3a ff2 fs5 fc0 sc0 ls0 ws0"> </div><div class="t m0 x9 h3 y3c ff2 fs1 fc0 sc0 lse wsa">The software is provided “as is” by Reaction Design, without warranty of any kind including without </div><div class="t m0 x9 h3 y3d ff2 fs1 fc0 sc0 ls5 wsb">limitation, any warranty against infringement of third party property rights, fitness or merchantability, or </div><div class="t m0 x9 h3 y3e ff2 fs1 fc0 sc0 lse wsa">fitness for a particular purpose, even if Reaction Design has been informed of such purpose. </div><div class="t m0 x9 h3 y3f ff2 fs1 fc0 sc0 lsd wsa">Furthermore, Reaction Design does not warrant, guarantee, or make any representations regarding the </div><div class="t m0 x9 h3 y40 ff2 fs1 fc0 sc0 lsd wsa">use or the results of the use, of the software or documentation in terms of correctness, ac<span class="_ _4"></span>curacy, </div><div class="t m0 x9 h3 y41 ff2 fs1 fc0 sc0 ls10 wsc">reliability or otherwise. No agent of Reaction Design is authorized to alter or exceed the warranty </div><div class="t m0 x9 h3 y42 ff2 fs1 fc0 sc0 lsd ws8">obligations of Reaction Design as set forth herein. </div><div class="t m0 x9 h3 y43 ff2 fs1 fc0 sc0 ls0 ws0"> </div><div class="t m0 x9 h3 y44 ff2 fs1 fc0 sc0 lsd ws8">Any liability of Reaction Design, its officers, agents or employees with respect to the software or the </div><div class="t m0 x9 h3 y45 ff2 fs1 fc0 sc0 ls24 ws10">performance thereof under any warranty, contract, negligenc<span class="_ _4"></span>e, strict liability, vicarious liability or other </div><div class="t m0 x9 h3 y46 ff2 fs1 fc0 sc0 lse wsa">theory will be limited exclusively to product<span class="_ _4"></span> replacement or, if replacement is inadequate as a remedy or </div><div class="t m0 x9 h3 y47 ff2 fs1 fc0 sc0 lsd wsa">in Reaction Design’s opinion impractical, to a c<span class="_ _4"></span>redit of amounts paid to Reaction Design for the license of </div><div class="t m0 x9 h3 y48 ff2 fs1 fc0 sc0 ls10 wsc">the software. </div><div class="t m0 x1 h7 y49 ff2 fs5 fc0 sc0 ls23 wsf">Literature C<span class="_ _9"></span>itati<span class="_ _9"></span>on for </div><div class="t m0 x1 h7 y4a ff2 fs5 fc0 sc0 ls23 wsf">Literature C<span class="_ _9"></span>itati<span class="_ _9"></span>on for <span class="_ _b"></span>Literature C<span class="_ _9"></span>itati<span class="_ _9"></span>on for </div><div class="t m0 x1 h7 y49 ff2 fs5 fc0 sc0 ls23 wsf">Literature C<span class="_ _9"></span>itati<span class="_ _9"></span>on for <span class="_ _9"></span>S</div><div class="t m0 xd h7 y4a ff2 fs5 fc0 sc0 ls0 ws0">S<span class="_ _c"></span>S</div><div class="t m0 xd h7 y49 ff2 fs5 fc0 sc0 ls0 ws0">S<span class="_ _9"></span><span class="fs1 ls25">ENKIN</span></div><div class="t m0 xe h3 y4b ff2 fs1 fc0 sc0 ls25 ws0">ENKIN<span class="_ _d"></span>ENKIN</div><div class="t m0 xe h7 y49 ff2 fs1 fc0 sc0 ls25 ws0">ENKIN<span class="fs5 ls0">:</span></div><div class="t m0 xf h7 y4a ff2 fs5 fc0 sc0 lsc ws0">::</div><div class="t m0 xf h7 y49 ff2 fs5 fc0 sc0 ls26 ws0">: </div><div class="t m0 x10 h7 y4a ff2 fs5 fc0 sc0 lsc ws0"> </div><div class="t m0 x10 h7 y49 ff2 fs5 fc0 sc0 ls0 ws0"> </div><div class="t m0 x9 h3 y4c ff2 fs1 fc0 sc0 ls27 ws11">The S<span class="fs0 ls1b ws0">ENKIN</span><span class="ls28 ws12"> program is part of the </span></div><div class="t m1 x11 h8 y4c ff2 fs6 fc0 sc0 ls0 ws0">C<span class="fs7 ls29">HEMKIN</span><span class="ls2a ws13"> Collection</span></div><div class="t m0 x12 h3 y4c ff2 fs1 fc0 sc0 ls1 ws0">. </div><div class="t m0 x9 h3 y4d ff2 fs1 fc0 sc0 ls0 ws0"> </div><div class="t m0 x9 h3 y4e ff2 fs1 fc0 sc0 ls2b ws14">R. J. Kee, F. M. Rupley, J. A. Miller, M. E. Coltrin, J. F. Grc<span class="_ _4"></span>ar, E. Meeks, H. K. Moffat, A. E. Lutz, G. Dixon-</div><div class="t m0 x9 h3 y4f ff2 fs1 fc0 sc0 ls24 ws10">Lewis, M. D. Smooke, J. Warnatz, G. H. Evans, R. S. Larson, R. E. Mitchell, L. R. Petzold, W. C. Reynolds, </div><div class="t m0 x9 h3 y50 ff2 fs1 fc0 sc0 ls24 ws10">M. Caracotsios, W. E. Stewart, P. Glarborg, C. Wang, and O. Adigun, </div><div class="t m1 x13 h8 y51 ff2 fs6 fc0 sc0 ls0 ws0">C<span class="fs7 ls29">HEMKIN</span><span class="ls2a ws13"> Collection</span></div><div class="t m0 x14 h3 y51 ff2 fs1 fc0 sc0 lse wsa">, Release 3.6, </div><div class="t m0 x9 h3 y52 ff2 fs1 fc0 sc0 lse wsa">Reaction Design, Inc., San Diego, CA (2000). </div><div class="t m0 x15 h3 y53 ff2 fs1 fc0 sc0 ls2c ws0"> </div><div class="t m0 x15 h3 y52 ff2 fs1 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h7 y54 ff2 fs5 fc0 sc0 ls2d ws0">Acknowledgemen<span class="_ _4"></span>ts:</div><div class="t m0 x1 h7 y55 ff2 fs5 fc0 sc0 ls2d ws0">Acknowledgemen<span class="_ _4"></span>ts:<span class="_ _e"></span>Acknowledgemen<span class="_ _4"></span>ts:</div><div class="t m0 x1 h7 y54 ff2 fs5 fc0 sc0 ls2d ws0">Acknowledgemen<span class="_ _4"></span>ts: </div><div class="t m0 x16 h7 y55 ff2 fs5 fc0 sc0 lsc ws0"> </div><div class="t m0 x16 h7 y54 ff2 fs5 fc0 sc0 ls0 ws0"> </div><div class="t m0 x9 h3 y56 ff2 fs1 fc0 sc0 lsd ws8">This document is based on the Sandia National Laboratories Report SAND87-8248, authored by </div><div class="t m0 x9 h3 y57 ff2 fs1 fc0 sc0 ls10 wsc">Andrew E. Lutz, Robert J. Kee, and James A. Miller.</div><div class="t m0 x17 h9 y58 ff2 fs8 fc0 sc0 ls0 ws0">1</div><div class="t m0 x18 h3 y57 ff2 fs1 fc0 sc0 ls0 ws0"> </div><div class="t m0 x9 h3 y59 ff2 fs1 fc0 sc0 ls0 ws0"> </div><div class="t m1 x1 h8 y5a ff2 fs6 fc0 sc0 ls2e ws15">Reaction Design cautions that some of the material in this manual may be out of date. Updates will be </div><div class="t m1 x1 h8 y5b ff2 fs6 fc0 sc0 ls2e ws13">available periodically on Reaction Design's web site. In addition, on-line help is available on the program </div><div class="t m1 x1 h8 y5c ff2 fs6 fc0 sc0 ls2f ws16">CD. Sample problem files can also be found on the CD and on our web site at www.ReactionDesign.com. </div></div><div class="pi" data-data='{"ctm":[1.568627,0.000000,0.000000,1.568627,0.000000,0.000000]}'></div></div>

<div id="pf3" class="pf w0 h0" data-page-no="3"><div class="pc pc3 w0 h0"><img class="bi x0 y0 w1 h1" alt="" src="https://static.pudn.com/prod/directory_preview_static/625d22d6be9ad24cfa7a2e75/bg3.jpg"><div class="t m0 x1 h2 y24 ff1 fs0 fc0 sc0 ls9 ws7"> 3 <span class="_ _3"></span> </div><div class="t m0 x1 h2 y5d ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x2 h3 y2 ff2 fs1 fc0 sc0 ls1 ws1"> SEN-036-1 </div><div class="t m0 x1 h2 y5e ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y5f ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y60 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y61 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y62 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y63 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y64 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 xc ha y65 ff2 fs9 fc0 sc0 ls30 ws0">SENKIN</div><div class="t m0 xc ha y66 ff2 fs9 fc0 sc0 ls30 ws0">SENKIN<span class="_ _f"></span>SENKIN</div><div class="t m0 xc ha y65 ff2 fs9 fc0 sc0 ls30 ws0">SENKIN<span class="_ _9"></span>: </div><div class="t m0 x19 ha y66 ff2 fs9 fc0 sc0 ls31 ws0">: <span class="_ _10"></span>: </div><div class="t m0 x19 ha y65 ff2 fs9 fc0 sc0 ls32 ws17">: A PROGRAM FOR PREDICTING HOMOGENEOUS</div><div class="t m0 x1a ha y66 ff2 fs9 fc0 sc0 ls33 ws18">A PROGRAM FOR PREDICTING HOMOGENEOUS<span class="_ _11"></span>A PROGRAM FOR PREDICTING HOMOGENEOUS</div><div class="t m0 x1a ha y65 ff2 fs9 fc0 sc0 ls33 ws18">A PROGRAM FOR PREDICTING HOMOGENEOUS<span class="_ _9"></span> </div><div class="t m0 x7 ha y66 ff2 fs9 fc0 sc0 ls34 ws0"> </div><div class="t m0 x7 ha y65 ff2 fs9 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1b ha y67 ff2 fs9 fc0 sc0 ls35 ws0">GAS</div><div class="t m0 x1b ha y68 ff2 fs9 fc0 sc0 ls35 ws0">GAS<span class="_ _12"></span>GAS</div><div class="t m0 x1b ha y67 ff2 fs9 fc0 sc0 ls35 ws0">GAS<span class="_ _9"></span>-</div><div class="t m0 x1c ha y68 ff2 fs9 fc0 sc0 ls0 ws0">-<span class="_ _13"></span>-</div><div class="t m0 x1c ha y67 ff2 fs9 fc0 sc0 ls36 ws19">-PHASE CHEMICAL KINETICS IN A CLOSED</div><div class="t m0 x1d ha y68 ff2 fs9 fc0 sc0 ls36 ws19">PHASE CHEMICAL KINETICS IN A CLOSED<span class="_ _14"></span>PHASE CHEMICAL KINETICS IN A CLOSED</div><div class="t m0 x1d ha y67 ff2 fs9 fc0 sc0 ls36 ws19">PHASE CHEMICAL KINETICS IN A CLOSED </div><div class="t m0 x7 ha y68 ff2 fs9 fc0 sc0 ls34 ws0"> </div><div class="t m0 x7 ha y67 ff2 fs9 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1e ha y69 ff2 fs9 fc0 sc0 ls37 ws12">SYSTEM WITH SENSITIVITY ANALYSIS</div><div class="t m0 x1e ha y6a ff2 fs9 fc0 sc0 ls37 ws12">SYSTEM WITH SENSITIVITY ANALYSIS<span class="_ _15"></span>SYSTEM WITH SENSITIVITY ANALYSIS</div><div class="t m0 x1e ha y69 ff2 fs9 fc0 sc0 ls37 ws12">SYSTEM WITH SENSITIVITY ANALYSIS<span class="_ _9"></span> </div><div class="t m0 x7 ha y6a ff2 fs9 fc0 sc0 ls34 ws0"> </div><div class="t m0 x7 ha y69 ff2 fs9 fc0 sc0 ls0 ws0"> </div><div class="t m0 x7 ha y6b ff2 fs9 fc0 sc0 ls0 ws0"> </div><div class="t m0 x7 ha y6c ff2 fs9 fc0 sc0 ls34 ws0"> </div><div class="t m0 x7 ha y6b ff2 fs9 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y6d ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y6e ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y6f ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y70 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1f hb y71 ff2 fsa fc0 sc0 ls38 ws0">ABSTRA</div><div class="t m0 x1f hb y72 ff2 fsa fc0 sc0 ls38 ws0">ABSTRA<span class="_ _16"></span>ABSTRA</div><div class="t m0 x1f hb y71 ff2 fsa fc0 sc0 ls38 ws0">ABSTRA<span class="_ _9"></span>CT</div><div class="t m0 x20 hb y72 ff2 fsa fc0 sc0 ls39 ws0">CT<span class="_ _17"></span>CT</div><div class="t m0 x20 hb y71 ff2 fsa fc0 sc0 ls39 ws0">CT<span class="_ _9"></span> </div><div class="t m0 xb hb y72 ff2 fsa fc0 sc0 ls3a ws0"> </div><div class="t m0 xb hb y71 ff2 fsa fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y73 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y74 ff1 fs0 fc0 sc0 ls0 ws0">S</div><div class="t m0 x21 h2 y75 ff1 fs8 fc0 sc0 ls3b ws0">ENKIN<span class="_ _4"></span><span class="fs0 ls3c ws1a"> computes the time evolution<span class="_ _4"></span> of a homogeneo<span class="_ _4"></span>us reacting gas mixture <span class="_ _4"></span>in a <span class="_ _4"></span>closed system. <span class="_ _4"></span> The </span></div><div class="t m0 x1 h2 y76 ff1 fs0 fc0 sc0 ls3d ws1b">model a<span class="_ _9"></span>ccounts for f<span class="_ _9"></span>inite-rate elementary gas-<span class="_ _9"></span>phase chemical reactions, a<span class="_ _9"></span>nd performs kinetic sensitivity </div><div class="t m0 x1 h2 y77 ff1 fs0 fc0 sc0 ls3e ws1c">analysis with respect to the reaction rates. The progra<span class="_ _9"></span>m considers six problem types: </div><div class="t m0 x1 h2 y78 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x22 h2 y79 ff1 fs0 fc0 sc0 ls3f ws1d">A. <span class="_ _18"> </span>An adiaba<span class="_ _9"></span>tic system with constant pressure, </div><div class="t m0 x22 h2 y7a ff1 fs0 fc0 sc0 ls40 ws1e">B. <span class="_ _19"> </span>An adiabatic system with consta<span class="_ _9"></span>nt volume, </div><div class="t m0 x22 h2 y7b ff1 fs0 fc0 sc0 ls40 ws1e">C. <span class="_ _1a"> </span>An adiabatic system with the volume a<span class="_ _9"></span> specified function of time. This ca<span class="_ _9"></span>se includes the ability </div><div class="t m0 x23 h2 y7c ff1 fs0 fc0 sc0 ls40 ws1f">to model an internal combustion engine with the volume vs. time determined<span class="_ _9"></span> from specified </div><div class="t m0 x23 h2 y7d ff1 fs0 fc0 sc0 ls41 ws20">engine parameters. </div><div class="t m0 x22 h2 y7e ff1 fs0 fc0 sc0 ls1f ws21">D. <span class="_ _18"> </span>A system where the pressure an<span class="_ _4"></span>d temperature are constan<span class="_ _4"></span>t, and </div><div class="t m0 x22 h2 y7f ff1 fs0 fc0 sc0 ls42 ws21">E. <span class="_ _19"> </span>A system where the vo<span class="_ _4"></span>lume and temperature are cons<span class="_ _4"></span>tant, and </div><div class="t m0 x22 h2 y80 ff1 fs0 fc0 sc0 ls41 ws20">F. <span class="_ _1b"> </span>A system where the pressure an<span class="_ _4"></span>d temperature are specified functions of tim<span class="_ _4"></span>e. </div><div class="t m0 x22 h2 y81 ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y82 ff1 fs0 fc0 sc0 ls43 ws22">The program uses the D</div><div class="t m0 x24 h2 y83 ff1 fs8 fc0 sc0 ls44 ws0">AS<span class="fs0 ls0">A<span class="fs8">C</span></span></div><div class="t m0 x25 h9 y84 ff1 fs8 fc0 sc0 ls0 ws0">2</div><div class="t m0 x26 h2 y83 ff1 fs0 fc0 sc0 ls45 ws23"> softwa<span class="_ _9"></span>re to <span class="_ _9"></span>solve the nonlinea<span class="_ _9"></span>r ordina<span class="_ _9"></span>ry diffe<span class="_ _9"></span>rential equa<span class="_ _9"></span>tions that </div><div class="t m0 x1 h2 y85 ff1 fs0 fc0 sc0 ls3d ws24">describe the temperature and species ma<span class="_ _9"></span>ss fractions. In addition, D</div><div class="t m0 x27 h2 y86 ff1 fs8 fc0 sc0 ls44 ws0">AS<span class="fs0 ls0">A<span class="fs8">C</span><span class="ls46 ws25"> solves the set of linear </span></span></div><div class="t m0 x1 h2 y87 ff1 fs0 fc0 sc0 ls1d ws26">differential equa<span class="_ _9"></span>tions that describe the first-orde<span class="_ _9"></span>r sensitivity coefficients of temperature and species </div><div class="t m0 x1 h2 y88 ff1 fs0 fc0 sc0 ls1c ws27">composition with respect to the<span class="_ _9"></span> individual re<span class="_ _9"></span>action rate<span class="_ _9"></span>s. The progra<span class="_ _9"></span>m runs in <span class="_ _4"></span>employs the C</div><div class="t m0 x28 h2 y89 ff1 fs8 fc0 sc0 ls44 ws0">HEMKIN<span class="fs0 ls0"> </span></div><div class="t m0 x1 h2 y8a ff1 fs0 fc0 sc0 ls47 ws28">Utility software pa<span class="_ _9"></span>ckage, which handles the chemical rea<span class="_ _9"></span>ction mechanism and species thermodynamic </div><div class="t m0 x1 h2 y8b ff1 fs0 fc0 sc0 ls1e ws0">data. </div></div><div class="pi" data-data='{"ctm":[1.568627,0.000000,0.000000,1.568627,0.000000,0.000000]}'></div></div>

<div id="pf5" class="pf w0 h0" data-page-no="5"><div class="pc pc5 w0 h0"><img class="bi x0 y0 w1 h1" alt="" src="https://static.pudn.com/prod/directory_preview_static/625d22d6be9ad24cfa7a2e75/bg5.jpg"><div class="t m0 x1 h2 y24 ff1 fs0 fc0 sc0 ls9 ws7"> 5 <span class="_ _3"></span> </div><div class="t m0 x1f hb y8d ff2 fsa fc0 sc0 ls48 ws0">CONTENTS</div><div class="t m0 x1f hb y8e ff2 fsa fc0 sc0 ls48 ws0">CONTENTS<span class="_ _1c"></span>CONTENTS</div><div class="t m0 x1f hb y8d ff2 fsa fc0 sc0 ls48 ws0">CONTENTS </div><div class="t m0 x29 hb y8e ff2 fsa fc0 sc0 ls3a ws0"> </div><div class="t m0 x29 hb y8d ff2 fsa fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y8f ff1 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 hc y90 ff3 fs0 fc0 sc0 ls0 ws0"> <span class="_ _1d"> </span><span class="ls49 ws29"> Page</span></div><div class="t m0 x7 hc y91 ff3 fs0 fc0 sc0 ls0 ws0"> </div><div class="t m0 x1 h2 y92 ff1 fs0 fc0 sc0 ls4a ws2a">LIST OF FIGURES<span class="_ _1e"></span>................................................................................................................<span class="ls4b ws0">......................................<span class="_"> </span>6<span class="ff4 fs1 ls0"> </span></span></div><div class="t m0 x1 h2 y93 ff1 fs0 fc0 sc0 ls9 ws0">1.<span class="ff4 fs1 ls0"> <span class="_ _1b"> </span></span><span class="ls4a">INTRODUCTIO<span class="_ _4"></span>N<span class="_ _1f"></span>...................................................................................................................<span class="ls4b">............................<span class="_"> </span>7<span class="ff4 fs1 ls0"> </span></span></span></div><div class="t m0 x1 h2 y94 ff1 fs0 fc0 sc0 ls9 ws0">2.<span class="ff4 fs1 ls0"> <span class="_ _1b"> </span></span><span class="ls4a ws2a">GOVERN<span class="_ _4"></span>ING EQUATIONS<span class="_ _1f"></span>............................................................................................................<span class="ls4c ws0">...............<span class="_ _1f"> </span>10<span class="ff4 fs1 ls0"> </span></span></span></div><div class="t m0 x2a h2 y95 ff1 fs0 fc0 sc0 ls4d ws0">2.1<span class="ff4 fs1 ls0"> <span class="_ _20"> </span></span><span class="ls4e ws2b">Internal Com<span class="_ _4"></span>bustion Engine Mo<span class="_ _4"></span>del...............................................................................................<span class="ls4f ws0">......<span class="_"> </span>13<span class="ff4 fs1 ls0"> </span></span></span></div><div class="t m0 x1 h2 y96 ff1 fs0 fc0 sc0 ls9 ws0">3.<span class="ff4 fs1 ls0"> <span class="_ _1b"> </span></span><span class="ls50 ws2c">NUMERICAL SOLUTIO<span class="_ _4"></span>N METHOD<span class="_ _1f"> </span>......................................................................................................<span class="ls51 ws0">.....<span class="_"> </span>16<span class="ff4 fs1 ls0"> </span></span></span></div><div class="t m0 x2a h2 y30 ff1 fs0 fc0 sc0 ls4d ws0">3.1<span class="ff4 fs1 ls0"> <span class="_ _20"> </span></span><span class="ls52 ws2d">Sensitivity Analysis<span class="_ _21"></span>...........................................................................................................</span><span class="ls53">.....................<span class="_"> </span>16<span class="ff4 fs1 ls0"> </span></span></div><div class="t m0 x1 h2 y97 ff1 fs0 fc0 sc0 ls9 ws0">4.<span class="ff4 fs1 ls0"> <span class="_ _1b"> </span></span><span class="ls4b">PROGR<span class="_ _4"></span>AM STRUCTURE<span class="_ _1e"></span>..............................................................................................................<span class="ls53">..................<span class="_"> </span>19<span class="ff4 fs1 ls0"> </span></span></span></div><div class="t m0 x2a h2 y98 ff1 fs0 fc0 sc0 ls4d ws0">4.1<span class="ff4 fs1 ls0"> <span class="_ _20"> </span></span><span class="ls4a ws2a">Optional User Pro<span class="_ _4"></span>gramming<span class="_ _22"></span>......................................................................................................<span class="ls1e ws0">..........<span class="_ _1f"> </span>20<span class="ff4 fs1 ls0"> </span></span></span></div><div class="t m0 x2a h2 y99 ff1 fs0 fc0 sc0 ls4d ws0">4.2<span class="ff4 fs1 ls0"> <span class="_ _20"> </span></span><span class="ls4e ws2b">The Save (Restart) File<span class="_ _22"></span>........................................................................................................</span><span class="ls53">...................<span class="_"> </span>22<span class="ff4 fs1 ls0"> </span></span></div><div class="t m0 x1 h2 y9a ff1 fs0 fc0 sc0 ls9 ws0">5.<span class="ff4 fs1 ls0"> <span class="_ _1b"> </span></span><span class="ls4a ws2a">PROGR<span class="_ _4"></span>AM INPUT<span class="_ _23"></span>..................................................................................................................<span class="ls54 ws0">.........................<span class="_"> </span>23<span class="ff4 fs1 ls0"> </span></span></span></div><div class="t m0 x2a h2 y9b ff1 fs0 fc0 sc0 ls4d ws0">5.1<span class="ff4 fs1 ls0"> <span class="_ _20"> </span></span><span class="ls4a ws2a">Keyword Syn<span class="_ _4"></span>tax and Rules<span class="_ _9"></span>.......................................................................................................<span class="ls4c ws0">............<span class="_"> </span>23<span class="ff4 fs1 ls0"> </span></span></span></div><div class="t m0 x2a h2 y9c ff1 fs0 fc0 sc0 ls4d ws0">5.2<span class="ff4 fs1 ls0"> <span class="_ _20"> </span></span><span class="ls4e ws2b">Sensitivity Option<span class="_ _9"></span>.............................................................................................................</span><span class="ls53">......................<span class="_"> </span>24<span class="ff4 fs1 ls0"> </span></span></div><div class="t m0 x2a h2 y9d ff1 fs0 fc0 sc0 ls4d ws0">5.3<span class="ff4 fs1 ls0"> <span class="_ _20"> </span></span><span class="ls55 ws2e">Problem Selection<span class="_ _21"></span>..............................................................................................................<span class="_ _9"></span></span><span class="ls53">.....................<span class="_ _1f"> </span>24<span class="ff4 fs1 ls0"> </span></span></div><div class="t m0 x2a h2 y39 ff1 fs0 fc0 sc0 ls4d ws0">5.4<span class="ff4 fs1 ls0"> <span class="_ _20"> </span></span><span class="ls4e ws2b">Initial Condition<span class="_ _4"></span>s<span class="_ _21"></span>.............................................................................................................<span class="ls54 ws0">.......................<span class="_"> </span>25<span class="ff4 fs1 ls0"> </span></span></span></div><div class="t m0 x2a h2 y9e ff1 fs0 fc0 sc0 ls4d ws0">5.5<span class="ff4 fs1 ls0"> <span class="_ _20"> </span></span><span class="ls52 ws2d">Time-varying Profiles<span class="_ _23"></span>..........................................................................................................<span class="_ _9"></span></span><span class="ls53">..................<span class="_"> </span>26<span class="ff4 fs1 ls0"> </span></span></div><div class="t m0 x2a h2 y9f ff1 fs0 fc0 sc0 ls4d ws0">5.6<span class="ff4 fs1 ls0"> <span class="_ _20"> </span></span><span class="ls4e ws2b">Internal Com<span class="_ _4"></span>bustion Model Parameters<span class="_ _21"></span>...........................................................................................<span class="_ _9"></span><span class="ls4d ws0">..<span class="_"> </span>26<span class="ff4 fs1 ls0"> </span></span></span></div><div class="t m0 x2a h2 ya0 ff1 fs0 fc0 sc0 ls4d ws0">5.7<span class="ff4 fs1 ls0"> <span class="_ _20"> </span></span><span class="ls55 ws2e">Integration Co<span class="_ _4"></span>ntrol............................................................................................................<span class="_ _9"></span><span class="ls53 ws0">.....................<span class="_"> </span>27<span class="ff4 fs1 ls0"> </span></span></span></div><div class="t m0 x2a h2 ya1 ff1 fs0 fc0 sc0 ls4d ws0">5.8<span class="ff4 fs1 ls0"> <span class="_ _20"> </span></span><span class="ls4a ws2a">Other Con<span class="_ _4"></span>trols<span class="_ _22"></span>.................................................................................................................<span class="ls54 ws0">.......................<span class="_"> </span>28<span class="ff4 fs1 ls0"> </span></span></span></div><div class="t m0 x1 h2 ya2 ff1 fs0 fc0 sc0 ls9 ws0">6.<span class="ff4 fs1 ls0"> <span class="_ _1b"> </span></span><span class="ls4a">POST-PROCESSING................................................................................................................<span class="ls54">.........................<span class="_"> </span>29<span class="ff4 fs1 ls0"> </span></span></span></div><div class="t m0 x2a h2 ya3 ff1 fs0 fc0 sc0 ls4d ws0">6.1<span class="ff4 fs1 ls0"> <span class="_ _20"> </span></span><span class="ls0">C<span class="fs8 ls44">HEMKIN</span><span class="ls4a ws2a"> Graphical Post-pro<span class="_ _4"></span>cessor....................................................................................................<span class="_ _1f"> </span>29<span class="ff4 fs1 ls0 ws0"> </span></span></span></div><div class="t m0 x2a h2 ya4 ff1 fs0 fc0 sc0 ls4d ws0">6.2<span class="ff4 fs1 ls0"> <span class="_ _20"> </span></span><span class="ls52 ws2d">Configurable Comm<span class="_ _4"></span>and-line Post-proces<span class="_ _4"></span>sor<span class="_ _22"></span>.....................................................................................<span class="_"> </span>29<span class="ff4 fs1 ls0 ws0"> </span></span></div><div class="t m0 x2a h2 ya5 ff1 fs0 fc0 sc0 ls4d ws0">6.3<span class="ff4 fs1 ls0"> <span class="_ _20"> </span></span><span class="ls4e ws2b">Normalized Sensitivities<span class="_ _1f"> </span>.......................................................................................................</span><span class="ls53">................<span class="_"> </span>31<span class="ff4 fs1 ls0"> </span></span></div><div class="t m0 x1 h2 ya6 ff1 fs0 fc0 sc0 ls9 ws0">7.<span class="ff4 fs1 ls0"> <span class="_ _1b"> </span></span><span class="ls4b">SAMPLE PROBLEM<span class="_ _21"></span>.................................................................................................................<span class="ls54">........................<span class="_"> </span>32<span class="ff4 fs1 ls0"> </span></span></span></div><div class="t m0 x2a h2 ya7 ff1 fs0 fc0 sc0 ls4d ws0">7.1<span class="ff4 fs1 ls0"> <span class="_ _20"> </span></span><span class="ls0">C<span class="fs8 ls44">HEMKIN</span><span class="ls4e ws2b"> Input File<span class="_"> </span>....................................................................................................................</span><span class="ls1e">..........<span class="_ _1f"></span>33</span><span class="ff4 fs1"> </span></span></div><div class="t m0 x2a h2 ya8 ff1 fs0 fc0 sc0 ls4d ws0">7.2<span class="ff4 fs1 ls0"> <span class="_ _20"> </span></span><span class="ls56 ws2f">Keyword Input for S<span class="_ _9"></span></span><span class="fs8 ls3b">ENKIN<span class="_"> </span></span><span class="ls50">..................................................................................................................<span class="_ _1f"></span>33<span class="ff4 fs1 ls0"> </span></span></div><div class="t m0 x2a h2 ya9 ff1 fs0 fc0 sc0 ls4d ws0">7.3<span class="ff4 fs1 ls0"> <span class="_ _20"> </span></span><span class="ls4e ws2b">Text Output for Sample Co<span class="_ _4"></span>mputation.............................................................................................<span class="ls57 ws0">....<span class="_"> </span>34<span class="ff4 fs1 ls0"> </span></span></span></div><div class="t m0 x1 h2 yaa ff1 fs0 fc0 sc0 ls9 ws0">8.<span class="ff4 fs1 ls0"> <span class="_ _1b"> </span></span><span class="ls4a">REFERENCES<span class="_ _21"></span>.....................................................................................................................<span class="ls54">...............................<span class="_"> </span>37<span class="ff4 fs1 ls0"> </span></span></span></div><div class="t m0 x1 h2 yab ff1 fs0 fc0 sc0 ls0 ws0"> </div><a class="l" rel='nofollow' onclick='return false;'><div class="d m2"></div></a><a class="l" rel='nofollow' onclick='return false;'><div class="d m2"></div></a><a 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