Dynamics in Microwave Chemistry

Contents
Principal List of Symbols
Chapter 1: Introduction
	References
Chapter 2: Characterization and Measurement of a Chemical Reaction´s Dielectric Properties
	2.1 Dielectric Properties in Materials
		2.1.1 Polarization
		2.1.2 Complex Permittivity and Loss
	2.2 Dielectric Polarization in Chemical Reactions
		2.2.1 Challenges to Characterize Dielectric Behaviors in Chemical Reactions
		2.2.2 Dielectric Polarization of Diluted Polar-Molecule Reactions
		2.2.3 Simplified Expression of Polarization in Diluted Polar-Molecule Reactions
	2.3 Relative Permittivity Measurement
		2.3.1 Typical Dielectric Measurement Methods
			2.3.1.1 Transmission/Reflection Line Method
			2.3.1.2 Open-Ended Coaxial Probe Method
			2.3.1.3 Free-Space Method
			2.3.1.4 Resonant Method
		2.3.2 Modern Optimal Algorithm in Dielectric Measurements
			2.3.2.1 Genetic Algorithm
				Introduction
				Application of GA
			2.3.2.2 Neural Network Algorithms
				Introduction
				Theory and Application of Probe Design
					Measurement of a Relative Permittivity of Solid
					Measurement of Liquid Relative Permittivity
	2.4 Characterization and Measurement of Relative Permittivity of Chemical Reactions
		2.4.1 Huang Method for the Iodination of Acetone
		2.4.2 Gaussian Function for Biodiesel Reaction
			2.4.2.1 Gaussian Equation
			2.4.2.2 Biodiesel Reaction
			2.4.2.3 Experimental System and Method
			2.4.2.4 Results
	2.5 Summary
	References
Chapter 3: Dynamic Analysis of Microwave Heating of Chemical Reactions
	3.1 Challenges to Microwave Energy Application
		3.1.1 Nonuniformity Heating
		3.1.2 Thermal Runaway
		3.1.3 Scale-Up
	3.2 Multiphysics Computation
		3.2.1 Introduction to Multiphysics Computation
		3.2.2 Challenges to the Multiphysics Computation of Microwave Heating for Industrial Application
	3.3 Algorithms for the Dynamic Analysis of Microwave Heating
		3.3.1 Multiphysics Simulation of Microwave Heating of Solid Materials
			3.3.1.1 Geometry
			3.3.1.2 Governing Equations
			3.3.1.3 Results and Discussion
		3.3.2 Multiphysics Simulation of the Microwave Heating of Fluid Materials
			3.3.2.1 Geometry
			3.3.2.2 Governing Equations
			3.3.2.3 Input Parameters
			3.3.2.4 Results
		3.3.3 Transformation Optics Algorithm for Computing the Heating Process of Rotating Elements
		3.3.4 Implicit Function and Level Set Methods for the Computation of Moving Elements During Microwave Heating
	3.4 Microwave Heating of Chemical Reactions
		3.4.1 Introduction
		3.4.2 Multiphysics Simulation of Microwave Propagation in a Fast Reaction
		3.4.3 Multiphysics Simulation of Microwave Heating of a Slow Reaction
			3.4.3.1 Modeling of the Iodination of Acetone
			3.4.3.2 Modeling of Continuous Flow Processing of Biodiesel Production in a Single-Mode Microwave Cavity
			3.4.3.3 Dynamic Analysis of Continuous-Flow Microwave Reactor Based on a Screw Propeller
		3.4.4 Multiphysics Simulation of Microwave Plasma
			3.4.4.1 Numerical Investigation of the Surface Wave Formation in a Microwave Plasma Torch
			3.4.4.2 Multiphysics Computation for Plasma Torch Design
	3.5 Summary
	References
Chapter 4: Interaction Between Microwave and Molecules
	4.1 Introduction
		4.1.1 Activation Energy and Pre-exponential Factor of Chemical Reactions
		4.1.2 Conductivity of NaCl Aqueous Solution Changes with Microwave
		4.1.3 Special Permittivity of Mixed Solution
		4.1.4 Nonlinear Dielectric Properties with Microwave
	4.2 MD Simulation
		4.2.1 Introduction
		4.2.2 MD in Electrostatic Fields
		4.2.3 MD in Microwave Fields
		4.2.4 MD Simulation in Microwave Fields by GROMACS
	4.3 Simulation of the Interaction Between Microwave and Molecules
		4.3.1 Molecule Collision and Energy Distribution in Microwave Fields
		4.3.2 Desolvation Effect in Microwave Field
		4.3.3 MD Simulation of Special Permittivity of Mixed Solution
			4.3.3.1 N,N-Dimethylacetamide (DMAC) - Water Mixtures
			4.3.3.2 Dimethyl Sulfoxide (DMSO) - Water Mixtures
		4.3.4 Density Functional Theory (DFT) Simulation of Nonlinear Dielectric Properties with Microwaves
	4.4 Summary
	References
Chapter 5: Industrial Application
	5.1 Production Line of Microwave Drying Lignite
		5.1.1 Introduction
		5.1.2 Effective Permittivity Under Different Sizes and Temperatures of Lignite
		5.1.3 Modeling of the Microwave Drying Process
	5.2 Production Line of Nickel Ore Smelting
		5.2.1 Introduction
		5.2.2 Effective Permittivity Under Different Temperatures of Nickel Ore
		5.2.3 Modeling for the Microwave Process
	5.3 Summary