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Chemical Sensors: Simulation and Modeling Volume 5: Electrochemical Sensors

Book Description

Momentum Press is proud to bring to you Chemical Sensors: Simulation and Modeling Volume 5: Electrochemical Sensors, edited by Ghenadii Korotcenkov. This is the fifth of a five-volume comprehensive reference work that provides computer simulation and modeling techniques in various fields of chemical sensing. The important applications for chemical sensing include such topics as bulk and surface diffusion, adsorption, surface reactions, sintering, conductivity, mass transport, and interphase interactions. In this fifth volume, you will find background and guidance on: * Modeling and simulation of electrochemical processes in both solid and liquid electrolytes, including charge separation and transport (gas diffusion, ion diffusion) in membranes, proton-electron transfers, electrode reactions, etc. * Various models used to describe electrochemical sensors such as potentiometric, amperometric, conductometric, impedimetric, and ionsensitive FET sensors Chemical sensors are integral to the automation of myriad industrial processes and everyday monitoring of such activities as public safety, engine performance, medical therapeutics, and many more. This five-volume reference work serves as the perfect complement to Momentum Press's 6-volume reference work, Chemical Sensors: Fundamentals of Sensing Materials and Chemical Sensors: Comprehensive Sensor Technologies, which present detailed information related to materials, technologies, construction, and application of various devices for chemical sensing.

Table of Contents

  1. Cover
  2. Half Title
  3. Title Page
  4. Copyright Page
  5. Contents
  6. Preface
  7. About the Editor
  8. Contributors
  9. Part 1: Solid-State Electrochemical Sensors
    1. 1 Surface and Interface Defects in Ionic Crystals
      1. N. F. Uvarov
      2. 1. Introduction
        1. 1.1 Solid Electrolytes and Electrodes for Electrochemical Sensors: A Brief Overview
        2. 1.2 Surface and Interface Properties of Ionic Solids
      3. 2. Calculation of the Surface Potential and Surface Defects Using the Stern Model
        1. 2.1 Description of the Model
        2. 2.2 Pure Crystals of the NaCl Type
        3. 2.3 Surface Potential in NaCl Crystals Containing Divalent Cations
        4. 2.4 Comparison with Experimental Data
        5. 2.5 Surface Potential and Concentration of Point Defects on Grain Boundaries of Superionic Oxide Ceramics
        6. 2.6 Surface Disorder in Terms of Energy Diagrams
        7. 2.7 Defects on Interfaces
      4. 3. Size Effects in Nanocomposite Solid Electrolytes
      5. 4. Applications in Sensors
      6. 5. Conclusions
      7. References
    2. 2 Solid-State Electrochemical Gas Sensors
      1. C. O. Park
      2. I. Lee
      3. D. R. Lee
      4. J. W. Fergus
      5. N. Miura
      6. H. J. Yoo
      7. 1. Introduction
      8. 2. Electrode Potentials
      9. 3. Types of Electrochemical Sensors
        1. 3.1 Equilibrium Potentiometric Sensors
        2. 3.2 Mixed Potentiometric Sensors
        3. 3.3 Amperometric Sensors
      10. 4. Applications
        1. 4.1 Oxygen Sensors
        2. 4.2 Carbon Dioxide Sensors
        3. 4.3 NOx Sensors
        4. 4.4 SOx Sensors
        5. 4.5 Hydrogen Sensors
      11. Acknowledgments
      12. References
  10. Part 2: Electrochemical Sensors for Liquid Environments
    1. 3 Modeling and Simulation of Ionic Transport Processes Through Ideal Ion-Exchange Membrane Systems
      1. A. A. Moya
      2. 1. Introduction
      3. 2. Theoretical Description
        1. 2.1 Ionic Transport in Ideal Ion-Exchange Membrane Systems
        2. 2.2 Electric Current Perturbations
        3. 2.3 Analytical Solutions
      4. 3. The Network Model
      5. 4. Network Simulation
        1. 4.1 Transient Response
        2. 4.2 Electrochemical Impedance
      6. 5. Conclusion
      7. Nomenclature
      8. Appendix
      9. Acknowledgments
      10. References
    2. 4 Mechanism of Potential Development for Potentiometric Sensors, Based on Modeling of Interaction Between Electrochemically Active Compounds from the Membrane and Analyte
      1. R.-I. Stefan-van Staden
      2. 1. Introduction
      3. 2. The Membrane–Solution Interface
      4. 3. Membrane Configuration
      5. 4. New Theoretical Model for Potential Development Based on Membrane Equilibria
      6. 5. Mechanism of the Potential Development
      7. 6. Modeling—A Theoretical Approach to Predict the Response and Mechanism of Potential Development
      8. 7. Selectivity of Potentiometric Sensors: Explanation through Membrane Equilibria
        1. 7.1 Influence of the Composition of the Membrane on the Selectivity of Potentiometric Sensors
      9. 8. Conclusions
      10. References
    3. 5 Computer Modeling of the Potentiometric Response of Ion-Selective Electrodes with Ionophore-Based Membranes
      1. K. N. Mikhelson
      2. 1. Introduction
      3. 2. Physical Models of Ionophore-Based Membranes
        1. 2.1 Levels of ISE Membrane Modeling
        2. 2.2 One-Dimensional Approach to ISE Membrane Modeling
        3. 2.3 Segmented Model of the ISE Membrane
        4. 2.4 Integral Model of the ISE Membrane
      4. 3. Computer Modeling for the Phase Boundary Theory
        1. 3.1 Description of the ISE Response in Mixed Solutions Containing Differently Charged Ions
        2. 3.2 Description of Apparently Non-Nernstian Response Slopes of Ion-Selective Electrodes
      5. 4. Modeling Using the Multispecies Approximation
        1. 4.1 The Essence of the Multispecies Approximation
        2. 4.2 System of Equations for Implementation of the Multispecies Model
        3. 4.3 Selected Results of Modeling Using the Multispecies Approximation
      6. 5. Diffusion Layer Model: Example of Local Equilibrium Modeling
      7. 6. Advanced Nonequilibrium Modeling in Real Time and Space
      8. 7. Conclusions
      9. Acknowledgments
      10. References
    4. 6 Models of Response in Mixed-Ion Solutions for Ion-Sensitive Field-Effect Transistors
      1. Sergio Bermejo
      2. 1. Introduction
      3. 2. ISFET Basics
        1. 2.1 Principles of Electrochemical Operation
        2. 2.2 Structures and Materials
      4. 3. Electrochemical Models
        1. 3.1 The Metal–Solution Junction
        2. 3.2 The Oxide–Solution Junction
        3. 3.3 Membrane-Based ISFETs
        4. 3.4 A General Approach for ISFET Modeling in Mixed-Ion Solutions
      5. 4. Conclusions
      6. Appendix: SPICE Models
      7. References
  11. Part 3: Electrochemical Biosensors
    1. 7-Nanomaterial-Based Electrochemical Biosensors
      1. N. Jaffrezic-Renault
      2. 1. Introduction
      3. 2. Nanomaterials: Fabrication, Chemical and Physical Properties
        1. 2.1 Conducting Nanomaterials
        2. 2.2 Nonconducting Nanomaterials: Magnetic Nanoparticles
      4. 3. Conception and Modeling of Amplification Effect in Nanomaterial-Based Enzyme Sensors
        1. 3.1 AuNPs-Based Amperometric Sensors
        2. 3.2 CNT-Based Amperometric Sensors
        3. 3.3 MNP-Based Amperometric Biosensors
        4. 3.4 Potentiometric Sensors
        5. 3.5 Conductometric and Impedimetric Biosensors
      5. 4. Conception and Modeling of Amplification Effect in Nanomaterial-Based Immunosensors
        1. 4.1 AuNP-Based Amperometric Immunosensors
        2. 4.2 AuNP-Based Potentiometric Sensors
        3. 4.3 Impedimetric Sensors
        4. 4.4 Conductometric Sensors
      6. 5. Conception and Modeling of Amplification Effect in Nanomaterial-Based DNA Biosensors
        1. 5.1 Amperometric Sensors
        2. 5.2 Impedimetric Sensors
      7. 6. Conclusion
      8. References
    2. 8 Ion-Sensitive Field-Effect Transistors with Nanostructured Channels and Nanoparticle-Modified Gate Surfaces: Theory, Modeling, and Analysis
      1. V. K. Khanna
      2. 1. Introduction
      3. 2. Structural Configurations of the Nanoscale ISFET
        1. 2.1 The Nanoporous Silicon ISFET
        2. 2.2 The CNT ISFET
        3. 2.3 The Si-NW ISFET
      4. 3. Physics of the Si-NW Biosensor
        1. 3.1 Basic Principle
        2. 3.2 Analogy with the Nanocantilever
        3. 3.3 Preliminary Analysis of Micro-ISFET Downscaling to Nano-ISFET
        4. 3.4 Single-Gate and Dual-Gate Nanowire Sensors
        5. 3.5 Energy-Band Model of the NW Sensor
      5. 4. Nair-Alam Model of Si-NW Biosensors
        1. 4.1 The Three Regions in the Biosensor
        2. 4.2 Computational Approach
        3. 4.3 Effect of Nanowire Diameter (d) on Sensitivity at Different Doping Densities, with Air as the Surrounding Medium
        4. 4.4 Effect of Nanowire Length (L) on Sensitivity at Different Doping Densities, with Air as the Surrounding Medium
        5. 4.5 Effect of the Fluidic Environment
        6. 4.6 Overall Model Implications
      6. 5. pH Response of Silicon Nanowires in Terms of the Site-Binding and Gouy-Chapman-Stern Models
      7. 6. Subthreshold Regime as the Optimal Sensitivity Regime of Nanowire Biosensors
      8. 7. Effective Capacitance Model for Apparent Surpassing of the Nernst Limit by Sensitivity of the Dual-Gate NW Sensor
      9. 8. Tunnel Field-Effect Transistor Concept
      10. 9. Role of Nanoparticles in ISFET Gate Functionalization
        1. 9.1 Supportive Role of Nanoparticles
        2. 9.2 Direct Reactant Role of Nanoparticles
      11. 10. Neuron-CNT (Carbon Nanotube) ISFET Junction Modeling
      12. 11. Conclusions and Perspectives
      13. Dedication
      14. Acknowledgments
      15. References
    3. 9 Biosensors: Modeling and Simulation of Diffusion-Limited Processes
      1. L. Rajendran
      2. 1. Introduction
        1. 1.1 Enzyme Kinetics
        2. 1.2 Basic Scheme of Biosensors
        3. 1.3 The Nonlinear Reaction-Diffusion Equation and Biosensors
        4. 1.4 Types of Biosensors
        5. 1.5 Michaelis-Menten Kinetics
        6. 1.6 Non–Michaelis-Menten Kinetics
        7. 1.7 Importance of Modeling and Simulation of Biosensors
      3. 2. Modeling of Biosensors
        1. 2.1 Michaelis-Menten Kinetics and Potentiometric Biosensors
        2. 2.2 Michaelis-Menten Kinetics and Amperometric Biosensors
        3. 2.3 Michaelis-Menten Kinetics and Amperometric Biosensors for Immobilizing Enzymes
        4. 2.4 Michaelis-Menten Kinetics and the Two-Substrate Model
        5. 2.5 Non–Michaelis-Menten Kinetics
        6. 2.6 Other Enzyme Reaction Mechanisms
        7. 2.7 Kinetics of Enzyme Action
        8. 2.8 Trienzyme Biosensor
      4. 3. Microdisk Biosensors
        1. 3.1 Introduction
        2. 3.2 Mathematical Formulation of the Problem
        3. 3.3 First-Order Catalytic Kinetics
        4. 3.4 Zero-Order Catalytic Kinetics
        5. 3.5 For All Values of KM
        6. 3.6 Conclusions
      5. 4. Microcylinder Biosensors
        1. 4.1 Introduction
        2. 4.2 Mathematical Formulation of the Problem
        3. 4.3 Analytical Solutions of the Concentrations and Current
        4. 4.4 Comparison with Limiting Case of Rijiravanich’s Work
        5. 4.5 Discussion
        6. 4.6 Conclusions
        7. 4.7 PPO-Modified Microcylinder Biosensors
      6. 5. Spherical Biosensors
        1. 5.1 Simple Michaelis-Menten and Product Competitive Inhibition Kinetics
        2. 5.2 Immobilized Enzyme for Spherical Biosensors
        3. 5.3 Conclusion
      7. Appendix: Various Analytical Schemes for Solving Nonlinear Reaction Diffusion Equations
        1. A. Basic Concept of the Variational Iteration Method
        2. B. Basic Concept of the Homotopy Perturbation Method
        3. C. Basic Concept of the Homotopy Analysis Method
        4. D. Basic Concept of the Adomian Decomposition Method
      8. References
  12. Index
  13. Ad Page
  14. Back Cover