cancel
Showing results for 
Search instead for 
Did you mean: 
cancel
Showing results for 
Search instead for 
Did you mean: 

Chemical Kinetics: Introduction with Mathcad...

SOLVED
Highlighted
Emerald III

Chemical Kinetics: Introduction with Mathcad...

One Russian Publishing House "Hotline Telecom" (Moscow) issued in 2009 the book:

Korobov V.I., Ochkov V.F. "Chemical Kinetics: Introduction with Mathcad/Maple/MCS (see http://twt.mpei.ac.ru/TTHB/ChemKin.html and the abstract below).

 

The Publishing House Springer interested in this book and we are preparing the English version. Springer offers us as the authors propose a list of potential reviewers for a future english edition.

We are searching peoples in this list!

 

 

Abstract

The main issues of the formal kinetics as a part of the teachings of the speed of chemical reactions. Unlike the traditional approach, the material is considered from the standpoint of implementing the calculations with the help of modern computer systems mathematic - Mathcad and Maple. There are ways of computing solutions of direct and inverse kinetic problems. The problems of efficient use of the interface package Mathcad, as well as the organization of the network calculations Mathcad Calculation Server. The book can be recommended as a textbook for university students. It may be useful to postgraduate students, teachers and researchers who use math in their work packages.

 

One chapter of the book (in English) is in attach (pdf andWord)!

 

Thank You!

1 ACCEPTED SOLUTION

Accepted Solutions

Re: Chemical Kinetics: Introduction with Mathcad...

Valery and Viktor,

You are welcome to nominate me to Springer as a reviewer of your text on chemical kinetics.

I do not know any Russian and I do not have access to Maple. However, I do have an ongoing interest in Mathcad's numerical integrators and their application to stiff systems of ODEs as encountered in the Newtonian N-body problem, chemical kinetics, and other areas of nonlinear dynamics.

As we have already seen with your (Valery's) Mathcad video and worksheet, "Dark Star" Steals Planet, different numerical results can result using different numerical integrators of the same ODE system. In other words, the numerics don't always follow the physics.

Do we see similar situations in chemical kinetics? I am thinking that perhaps chemical reactions modeled by stiff systems of ODEs may need special attention, but definitely extra scrutiny.

13 REPLIES 13

Re: Chemical Kinetics: Introduction with Mathcad...

for the pdf version, most of the equations cannot be displayed properly on my computer. the word version is good

there are some Russian words in fig.3.1

Re: Chemical Kinetics: Introduction with Mathcad...

As with the other poster, Word appears to display correctly, while the PDF has a mix of correct display and bad display. For whatever reason, every usage of "C" in an equation results in something that vague resembles a "C"

chapter3.gif

TTFN

Re: Chemical Kinetics: Introduction with Mathcad...

Interesting chapter. I'd be happy to help review - though I've no idea what MCS is (this chapter only seems to mention Mathcad and Maple - though I haven't read it thoroughly, so I might be wrong).

Fig 3.10. Numerical solution of the direct kinetic problem using Mathcad tools

This figure is labelled incorrectly - although Mathcad is stated in the figure label above, the figure clearly shows a Maple solution.

On page 20 crytical should be critical.

Are you planning to use British English or American English? Spelling of some words (e.g. center - American, centre - British) is different.

Alan

Re: Chemical Kinetics: Introduction with Mathcad...

Hi Alan!

Thanks for the the "Interesting chapter".

>I'd be happy to help review

Thanks - we shell include You in the Springer list. OK?

>I've no idea what MCS is

See please http://twt.mpei.ac.ru/ochkov/work2_eng.htm

Re: Chemical Kinetics: Introduction with Mathcad...

Good evening, Valery:

I browsed Chapter three of your book and tried to replicate the example shown on Fig 3.2. I have MathCAD 13 and cound not get it to work. I get an error " Can't converge to a solution. Encountered too many integrator steps." using the adaptive or stiff techniques in Odesolve. If I use Fixed, the error staement returns "This function can not be used here". This is in the Odesolve statement highlighting t.end. Which version of MathCAD are your example developed? This book seems to be a valuable tool for solving kinetics based equations without the trouble of setting them up manually with paper and pencil.

Regards,

Tony.

Re: Chemical Kinetics: Introduction with Mathcad...

Anthony Pengidore wrote:

Good evening, Valery:

I browsed Chapter three of your book and tried to replicate the example shown on Fig 3.2. I have MathCAD 13 and cound not get it to work. I get an error " Can't converge to a solution.

You can download worksheets of the book (MC11, MC12, MC13 and MC14-15) here - http://twt.mpei.ac.ru/TTHB/ChemKin/Chapter3rus.html

I have opened the file 3-02-MC13.xmcdz in Mathcad 15 (I have not Mathcad 13) - no problem, all is OK!

You can calculate with this task without Mathcad too - change coefficients and initial concentrations and see new kinetic curves - try please http://twt.mpei.ac.ru/MCS/Worksheets/Chem/ChemKin-3-02.xmcd

This book seems to be a valuable tool for solving kinetics based equations without the trouble of setting them up manually with paper and pencil.

Regards,

Tony.

Thanks, Tony!

Authors hope that the book will be "a valuable tool for solving kinetics based equations without the trouble of setting them up manually with paper and pencil" too. We are going to develop the site of the book. Help us please!

PS

Yesterday I have send the manuscript and pictures to the Publishing House - see http://www.springer.com/chemistry/physical+chemistry/book/978-3-7091-0530-6

Re: Chemical Kinetics: Introduction with Mathcad...

Tony,

Find in attach a file for 13 version. All work without problem.

Viktor

Viktor

Re: Chemical Kinetics: Introduction with Mathcad...

Valery and Viktor,

You are welcome to nominate me to Springer as a reviewer of your text on chemical kinetics.

I do not know any Russian and I do not have access to Maple. However, I do have an ongoing interest in Mathcad's numerical integrators and their application to stiff systems of ODEs as encountered in the Newtonian N-body problem, chemical kinetics, and other areas of nonlinear dynamics.

As we have already seen with your (Valery's) Mathcad video and worksheet, "Dark Star" Steals Planet, different numerical results can result using different numerical integrators of the same ODE system. In other words, the numerics don't always follow the physics.

Do we see similar situations in chemical kinetics? I am thinking that perhaps chemical reactions modeled by stiff systems of ODEs may need special attention, but definitely extra scrutiny.

Re: Chemical Kinetics: Introduction with Mathcad...

Thanks, Roger, for the ready to help us.

I will send your name to Springer as a possible reviewer of the book.

But now You can review WorkSheets and WebSheets of the book on its site:

http://twt.mpei.ac.ru/TTHB/ChemKin.html

Download please WorkSheets, edit English remarks and send us back!

We have a dream to create a useful site with live calculation on Chemical Kinetics. Help us please.

And on Chemical thermodynamic too - see http://twt.mpei.ac.ru/TTHB/1/cewhbeng.html

WebSheets of thes sites must be multilanguage - see one example http://twtmas.mpei.ac.ru/mas/Worksheets/Chem/Surface_Tension/isotherm_surf_ten_ERU_new.mcd

Sorry, the Mathcad Server is unstable - we try use others tools.