Boreskov Institute of Catalysis of the Siberian Branch of Russian ...

PP-II-13where I Э , M 1Э , M 2Э , M 3Э , M 4Э – experimental values of the concentration of initiator andmonomers; I Р , M 1Р , M 2Р , M 3Р , М 4Р – rated values of the same components; i – the number ofthe experiment.As an identification algorithm the "complex" of Box method [1] was applied, this methodbelongs to nongradient search methods and is noted for high efficiency while solving a largenumber of problems of nonlinear programming.The system (3) was integrated by the method of Runge-Kutt [2] having initial conditions:[I] 0 = 0,254 mol/l; [М 1 ] 0 = 1,58 mol /l; [М 2 ] 0 = 3,36 mol /l; [М 3 ] 0 = 2,12 mol /l; [М 4 ] 0 =0,64 mol /l.As a result of the calculations the following values of rate constants were obtained:1.−4k = 0,473⋅2.010−4k = 0,499 ⋅ 3.610k 4.−412= 0,516 ⋅10k−318= 0,220 ⋅105.−3k = 0,861⋅6.110−4k = 0,506 ⋅ 7.710k 8.−413= 0,515⋅10k−319= 0,483⋅109.−3k = 0,413⋅10.210−4k = 0,511⋅11.810k 12.−414= 0,499 ⋅10k−320= 0,358⋅1013.−3k = 0,537 ⋅ 14.310−4k = 0,510 ⋅ 15.910k 16.−415= 0,506 ⋅10k−321= 0,310 ⋅1017.−3k = 0,436 ⋅ 18.410k 19.−410= 0,498⋅10k 20.−416= 0,511⋅10k−222= 0,249 ⋅1021.−3k = 0,450 ⋅ 22.510k 23.−411= 0,508⋅10k 24.−417= 0,511⋅10The calculation of kinetic curves led to a good agreement with the experiment, at thesame time the value of goodness of fit amounted to Q=0,0008.296