1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
|
{
"metadata": {
"name": ""
},
"nbformat": 3,
"nbformat_minor": 0,
"worksheets": [
{
"cells": [
{
"cell_type": "heading",
"level": 1,
"metadata": {},
"source": [
"Chapter 8 : Potpourri of Multiple Reactions"
]
},
{
"cell_type": "heading",
"level": 2,
"metadata": {},
"source": [
"Example 8.3 page no : 198"
]
},
{
"cell_type": "code",
"collapsed": false,
"input": [
"\n",
"import math \n",
"\n",
"# Variables\n",
"CAo = 185. \n",
"CA = 100.\n",
"t = 30.\n",
"\n",
"# Calculations\n",
"K123 = math.log(CAo/CA)/t;\n",
"m1 = 2.;\n",
"k2 = m1/CAo;\n",
"\n",
"##From the initial rate of formation of R\n",
"m2 = 1.3;\n",
"k1 = m2/CAo;\n",
"k3 = K123-k1-k2;\n",
"\n",
"k4 = 0.0001\n",
"while k4 <= 0.1:\n",
" Csmax = CAo*(k1/K123)*((K123/k4)**(k4/(k4-K123)));\n",
" if Csmax>31.8 and Csmax<32.2:\n",
" break\n",
" k4 += 0.0001\n",
" \n",
"k5 = 0.001\n",
"#similarly for T\n",
"while k5 <= 0.2:\n",
" Ctmax = CAo*(k3/K123)*((K123/k5)**(k5/(k5-K123)));\n",
" if Ctmax>9.95 and Ctmax<10.08:\n",
" break\n",
" k5 += .0001\n",
"\n",
"# Results\n",
"print \" The rate constants are\"\n",
"print \" k1 = %.4f min**-1\"%(k1)\n",
"print \" k2 = %.4f min**-1\"%(k2)\n",
"print \" k3 = %.4f min**-1\"%(k3)\n",
"print \" k4 = %.4f min**-1\"%(k4)\n",
"print \" k5 = %.4f min**-1\"%(k5)\n"
],
"language": "python",
"metadata": {},
"outputs": [
{
"output_type": "stream",
"stream": "stdout",
"text": [
" The rate constants are\n",
" k1 = 0.0070 min**-1\n",
" k2 = 0.0108 min**-1\n",
" k3 = 0.0027 min**-1\n",
" k4 = 0.0099 min**-1\n",
" k5 = 0.0157 min**-1\n"
]
}
],
"prompt_number": 1
},
{
"cell_type": "code",
"collapsed": false,
"input": [],
"language": "python",
"metadata": {},
"outputs": []
}
],
"metadata": {}
}
]
}
|