Contents & References of Mathematical modeling of nucleation and growth kinetics of polymer nanoparticles in emulsion polymerization process using conductometry results
List:
Table of Contents
The first chapter. 1
Overview of polymerization processes. 1
1-1- Introduction. 2
1-2- Classification of polymers based on polymerization mechanism. 3
chain polymerizations. 5
Stage polymerizations. 5
Only monomers that have active centers (such as free radicals or ions) enter the reaction. 5
Both monomers that have two different active agents at their two ends have the ability to enter into the reaction. 5
Monomer concentration decreases uniformly during the reaction. 5
Monomers are quickly destroyed in the initial stages of the reaction. 5
Polymers with high molecular weight are formed quickly. 5
The molecular weight of the polymer chains all together increases slowly over time. 5
The reaction speed is very high. 5
The reaction speed is slow and slow. 5
From the beginning of the reaction, chains with a high degree of conversion are obtained. 5
To obtain chains with a high degree of conversion, the reaction should be continued to more than 90%. 5
The reaction takes place in several stages, initiation, release and termination. 5
The reaction takes place only in one step. 5
It produces only linear polymers or molecules with little branching. 5
It gives molecules with different structures, from simple linear molecules without branches to bulky networks with many transverse connections. 5
1-2-1- free radical polymerization reactions. 5
1-2-1-1- the beginning. 6
1-2-1-2- growth (release) 6
1-2-1-3- end. 6
1-2-1-4- chain transmission. 7
1-2-2- Classification of polymerization methods or systems based on the reaction environment. 7
1-2-2-1- homogeneous polymerization. 8
1-2-2-1-1- Bulk Polymerization method 8
1-2-2-1-2- Solution Polymerization method 9
1-2-2-2- Heterogeneous polymerization. 10
1-2-2-2-1- Suspension Polymerization method 10
1-2-2-2-2- Emulsion Polymerization method 10
Polymerization method. 14
Advantages 14
Disadvantages. 14
Polymerization. 14
Todhai. 14
Discontinuous process. 14
Simplicity of the process, flexibility, low cost of separation. 14
Heterogeneity of the reaction, wide molecular weight distribution, strong increase in viscosity and as a result the problem of mixing and heat transfer during the reaction 14
Continuous process. 14
Controllability of the reaction by temperature, controllability of molecular weight, product properties and as a result low separation cost 14
Low conversion degree, separation of monomer from polymer, need for high temperature and sometimes need for high pressure, adhesion of polymer to the reactor wall 14
Solution polymerization. 14
Compared to the mass system of lower viscosity and as a result of better mixing and heat transfer, controllability of the reaction by temperature control, direct consumption of the reaction solution, low adhesion of the polymer to the reactor body 14
The cost of using solvents, pollution of the environment due to the presence of solvents, the cost of drying and separation, the problem of the phenomenon of radical transfer 14
Suspension polymerization. 14
Controllability of product quality and reaction by temperature control, direct consumption of dry solid grains and as a result low cost of separation, low viscosity and as a result suitable heat transfer. 14
The impossibility of using continuous processes, the need for a stirrer and special additives, the adhesion of polymer particles to the reactor body 14
Emulsion polymerization. 14
Controllability of the reaction by temperature, high reaction speed, lower viscosity (compared to solution and mass systems), suitable heat transfer, usability of production Lanx. 14
The need for a high concentration of emulsifier, the need to stabilize the particles, the adhesion of the particles to the reactor body 14
1-2-3- The importance of emulsion polymerization. 14
1-2-4- Emulsion polymerization mechanism. 15
1-2-5- stages of emulsion polymerization. 18
1-2-6- particle creation mechanism 22
1-2-6-1- mycelial nucleation. 22
1-2-6-2- homogeneous nucleation. 23
1-2-6-3- Nucleation of diameters. 23
1-2-7- butadiene emulsion polymerization. 24
1-2-8- Introduction of butadiene monomer.24
1-2-9- Materials used in emulsion polymerization of butadiene. 27
1-2-9-1- emulsifier. 27
1-2-9-2- Starter. 28
1-2-9-3- Buffer. 29
1-2-10- An overview of the works done in the field of simulation and control of particle size distribution. 29
The second chapter. 35
Emulsion polymerization kinetics. 35
2-1- Introduction. 36
2-2- continuous phase events. 36
2-3- Monomeric droplet phase events. 36
2-4-Phase phenomena of polymer particles. 37
2-5- micelles swollen with monomer. 38
2-6- Modeling. 42
2-6-1- Initial reactions. 42
2-6-2- Oligomers of the aqueous phase. 43
2-6-3- Nucleation. 44
2-6-4- Balance of monomers 45
2-6-5- Balance of surfactant. 47
2-6-5-1- model zero - one. 48
2-6-5-2- pseudo mass model. 49
2-6-6- Equations of pseudo-mass model for population balance of polymer particles. 49
2-6-6-1- average number of radicals in particles. 50
2-6-6-2- growth of polymer particles. 51
2-6-6-3- entry of oligomers into particles. 51
2-6-6-4- Removal of oligomers from particles. 52
2-6-6-5- Conclusion inside the particles. 52
2-6-7- zero-one model equations for population balance of polymer particles. 52
2-6-8- Numerical solution of population balance equations. 55
2-6-8-1- Finite Elements 56
2-6-8-2- Finite volume/difference. 57
The third chapter. 59
Calculation of CMC using conductometry results. 59
3-1- Introduction. 60
3-2- Test. 61
3-3- Effects of electrolytes on CMC at 25?C. 62
3-4-1- The effect of individual electrolytes on CMC at 60?C. 65
3-4-2- The effect of mixing electrolytes on CMC. 68
Chapter Four. 70
Polybutadine emulsion simulation and comparison with experimental data. 70
4-1- Introduction. 71
4-2- Modeling. 73
4-2-1- Modeling scale. 73
4-2-2- Modeling steps in polymerization reactions and processes. 74
4-2-3- Model selection methods in polymerization reactions and processes. 75
4-3- Kinetic modeling of butadiene emulsion polymerization. 75
4-4- Assumptions considered in the presented kinetic plan for emulsion polymerization of butadiene. 76
4-5- Solving the equations obtained in kinetic modeling of emulsion polymerization of butadiene. 77
4-5-1- Discretization of partial differential equations of population balance. 78
4-6- Parameters used in kinetic modeling of butadiene emulsion polymerization. 79
4-7- Comparing the results of kinetic modeling with laboratory data. 81
4-7-1- Description of devices and equipment. 81
4-7-2- Test method. 82
4-7-3- feed for each experiment. 84
4-7-4- Polymerization with sodium dodecyl sulfate. 84
The fifth chapter. 103
Conductivity prediction during the polymerization process. 103
5-1- Introduction. 104
5-2- Test. 105
5-3- Prediction of electrical conductivity of solutions without chemical reaction. 106
5-3-1 Prediction of electrical conductivity of SDS solutions in different concentrations of Na2CO3 and KPS electrolytes at 25?C and 60?C 106
5-3-2 Prediction of electrical conductivity of SDS solutions in different concentrations of combining Na2CO3 and KPS electrolytes at 60?C 135
5-4- Prediction of reaction electrical conductivity Emulsion polymerization of polybutadiene nanoparticles (online) 146
Sixth chapter. 148
Conclusions and suggestions. 148
6-1 Conclusion. 149
6-2- Suggestions. 150
References. 152
Appendices 158
Calculation of CMC in the presence of 0.5 g of Na2CO3 in the medium with SDS titration at 25°C. 159
Calculation of CMC in the presence of 0.75 g of KPS in the medium with SDS titration at 25°C. 160
Calculation of CMC in the presence of 0.5 g of Na2CO3 in the medium with SDS titration at 60°C. 162
Calculation of CMC in the presence of 1 g of KPS in the medium with SDS titration at 60°C. 164
Source:
1. Haddadi Asl and., Technology of Polymers, Tehran, Amir Kabir University of Technology Publishing Center, 2010.
Odian, G., Principles of Polymerization, 4th edition, John Wiley and Sons Inc. Publication, New York, 2003.
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