- [id] => 28
- [recorddate] => 2007:01:13:10:52:04
- [lastupdate] => 2007:01:13:10:52:04
- [type] => article
- [place] => Timisoara, Romania
- [subject] => chemistry - physical; mathematics - analysis; mathematics - modeling
- [relatedworks] =>
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- 2 (average):
- [file] => ?f=28
- [mime] => application/pdf
- [size] => 167599
- [pubname] => Annals of West University of Timişoara, Series Chemistry
- [pubinfo] => West University of Timişoara
- [pubkey] => ISSN 1224-9513
- [workinfo] => 12(3): 1107-1112, CAN 142:266989
- [year] => 2003
- [title] => Numerical simulation of concurent diffusion and reaction
- [authors] => Lorentz JÄNTSCHI, Elena M. PICĂ
- [abstract] =>

Mathematics and computer programming have a major contribution to chemistry.

Two directions can be identified: one that searches and tries (rich) to explain the structural binding and shape of the chemical compounds [1] with major applications in QSPR/QSAR studies [2], and applied sciences such as engineering of materials and agriculture [3]; the second direction is to models the kinetic processes that are involved in chemical reactions [4]. Many such models are available here. The present paper describes the diffusion process in competition with a reaction the mathematical equations associated with them.

The differential equations are numerically solves and 3D plots with MathCad program.

References

1. Diudea M., Gutman I., Jäntschi L., Molecular Topology, Nova Science, Huntington, New York, 2001.

2. Diudea M. V., Ed., QSPR / QSAR Studies by Molecular Descriptors, Nova Science, Huntington, N. Y., 2001.

3. Jäntschi L., Microbiology and Toxicology. Phytochemistry Studies, Amici, Cluj-Napoca, 2003.

4. Jäntschi L., Ungure��an M., Molecular Kinetic and Dynamic, Mediamira, Cluj-Napoca, 2001. - [keywords] => Diffusion; Reaction controlled by diffusion; Physical modeling; Mathematical modeling