Modelling the kinetics of a reaction involving a sodium salt of 1,2,4-triazole and a complex substituted aliphatic halide

被引:9
作者
Grénman, H
Salmi, T [1 ]
Mäki-Arvela, P
Wärnå, J
Eränen, K
Tirronen, E
Pehkonen, A
机构
[1] Abo Akad, Proc Chem Grp, Lab Ind Chem, FIN-20500 Turku, Finland
[2] Kemira Fine Chem Oy, FIN-67101 Kokkola, Finland
[3] Kemira Oyj, Espoo Res Ctr, FIN-22071 Espoo, Finland
关键词
D O I
10.1021/op0300138
中图分类号
O69 [应用化学];
学科分类号
081704 ;
摘要
A spontaneous reaction involving a sparingly soluble solid compound 1,2,4-triazole as sodium salt and a complex substituted aliphatic halide was studied. Kinetic experiments were performed in the temperature interval 120-170 degreesC. A part of the study was focused on the solubility of different compounds and the impact of triazole concentration on the reaction. On the basis of the experimental data, a mathematical model was developed, and the parameters in the model were estimated by nonlinear regression. On the basis of the consistency of the data, rather accurate values for the parameters were calculated from the experimental values and compared to the estimated ones. The model can be used as a helpful tool in developing industrial applications.
引用
收藏
页码:942 / 950
页数:9
相关论文
共 10 条
[1]   ALKYLATION, ACYLATION AND SILYLATION OF AZOLES [J].
BEGTRUP, M ;
LARSEN, P .
ACTA CHEMICA SCANDINAVICA, 1990, 44 (10) :1050-1057
[2]   TAUTOMERISM OF 1,2,3-TRIAZOLE AND 1,2,4-TRIAZOLE IN THE GAS-PHASE AND IN AQUEOUS-SOLUTION - A COMBINED ABINITIO QUANTUM-MECHANICS AND FREE-ENERGY PERTURBATION STUDY [J].
COX, JR ;
WOODCOCK, S ;
HILLIER, IH ;
VINCENT, MA .
JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (14) :5499-5501
[3]   RONTGENSTRUKTURANALYSE VON 1,2,4-TRIAZOL [J].
DEUSCHL, H .
BERICHTE DER BUNSEN-GESELLSCHAFT FUR PHYSIKALISCHE CHEMIE, 1965, 69 (06) :550-&
[4]   REFINEMENT OF CRYSTAL AND MOLECULAR STRUCTURE OF 1,2,4-TRIAZOLE (C2H3N3) AT LOW TEMPERATURE [J].
GOLDSTEIN, P ;
LADELL, J ;
ABOWITZ, G .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1969, B 25 :135-+
[5]  
Haario H., 1994, MODEST USERS GUIDE
[6]  
Hindmarsh A. C, 1983, IMACS T SCI COMPUTAT, V1, P55
[7]  
KATRITZKY AR, 1991, RECL TRAV CHIM PAY B, V110, P369
[8]  
MARQUARDT DW, 1963, SIAM J, P431
[10]   ELECTROSTATIC PROXIMITY EFFECTS IN THE RELATIVE BASICITIES AND ACIDITIES OF PYRAZOLE, IMIDAZOLE, PYRIDAZINE, AND PYRIMIDINE [J].
TAFT, RW ;
ANVIA, F ;
TAAGEPERA, M ;
CATALAN, J ;
ELGUERO, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (12) :3237-3239