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Chemical interpretation of octane number
Perdih, Anton (Author), Perdih, Franc (Author)

URLURL - Presentation file, Visit http://acta.chem-soc.si/53/53-3-306.pdf New window

Abstract
The empirical rules of Octane Number (ON) dependence on the structure of alkanes are amended. ON decreases with the number of CH2 groups and increases with the number of CH3 groups; the number of adjacent CH2 groups has the highest but sigmoid influence; ON decreases with the separation between branchesč it increases with the more central position of branches and with their bulkiness. Ethyl group causes apparently contradictory effectsČ If it increases the number of CH2 groups, ON decreases; if not, ON increases. The use of structural features of alkanes, i.e. the size of the molecule, the number of branches, the position of branches, the separation between them, the type of branches, and the type of the branched structure enables a more thorough understanding of the relations between the structure of alkanes and their physicochemical properties. Comparison of kinetic and structural data ofn-alkanes vs. branched alkanes indicates that in alkanes having a sufficientnumber (3 to 7) of adjacent CH2 groups there exists the possibility of forming a limited number of gem-diperoxydiol groups, which may be responsible for knocking of low ON fuel - air mixtures.

Language:English
Keywords:strukturna kemija, fizikalna kemija, struktura spojin, strukturne lastnosti molekul, strukturna interpretacija, oktanska števila, alkani, indeks razvejanosti, rekcijski mehanizem, fizikalno-kemijske lastnosti, klenkanje, gem-dihidroperoksid, hidroperoksid, poliperoksidi, gem-dihydroperoxide, hydroperoxide, octane number, polyperoxide, reaction mechanism, structural interpretation
Work type:Not categorized (r6)
Tipology:1.01 - Original Scientific Article
Organization:FKKT - Faculty of Chemistry and Chemical Technology
Year:2006
Publisher:Slovensko kemijsko društvo
Number of pages:str. 306-315
Numbering:Letn. 53, št. 3
UDC:547.21-31:544.022
ISSN on article:1318-0207
COBISS.SI-ID:27967237 Link is opened in a new window
Views:449
Downloads:154
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Record is a part of a journal

Title:Acta chimica slovenica
Shortened title:Acta chim. slov.
Publisher:Slovensko kemijsko društvo, =Slovenian Chemical Society
ISSN:1318-0207
COBISS.SI-ID:14086149 New window

Secondary language

Language:English
Abstract:
Izboljšana so empirična pravila o odvisnosti oktanskega števila alkanov od njihove strukture. Le-to pada s številom CH2 skupin in narašča s številom CH3 skupin; najbolj vplivajo sosednje CH2 skupine. Pada z razdaljo med vejami, narasča pa z bolj sredinsko lego vej in njihovo razvejanostjo. Etilne skupine dajo navidezno nasprotujoče učinke; če povečajo stevilo CH2 skupin, oktansko število pade, če ne, pa naraste. Uporaba strukturnih značilnosti alkanov, to so velikost molekule, število vej, njihova lega, razdalja med njimi, njihova vrsta in vrsta razvejanosti, omogoča temeljitejše razumevanje odnosov med njihovo strukturo in lastnostmi. Primerjava kinetičnih in strukturnih podatkovza n-alkane in razvejane alkane kaže, da pri alkanih, ki imajo dovolj (3 do 7) sosednjih CH2 skupin, obstoja možnost tvorbe omejenega števila gem-diperoksidiolnih skupin, ki bi lahko bile vzrok klenkanja v motorju.


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