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Fundamental System Design Principles for Simultaneous Mass Transfer and Chemical Reactions in Chemical Engineering Science
Including a Computational Approach with R
1st Edition - July 1, 2023
Author: Bertram K.C. Chan
Hardback ISBN:
9 7 8 - 0 - 1 2 - 8 2 3 9 9 7 - 1
eBook ISBN:
9 7 8 - 0 - 1 2 - 8 2 4 2 4 7 - 6
Fundamental System Design Principles for Simultaneous Mass Transfer and Chemical Reactions in Chemical Engineering Science: Including a Computational Approach with R is a… Read more
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Fundamental System Design Principles for Simultaneous Mass Transfer and Chemical Reactions in Chemical Engineering Science: Including a Computational Approach with R is a comprehensive resource providing a fundamental description of the scientific basis for diffusional processes and mass transfer operations in the presence of simultaneous chemical reactions. In the book several models are presented, assessed, and showcased for engineering design applications. Based on a vigorous assessment of several theoretical models for mass transfer, a selected preferred methodology is recommended as a firm basis for engineering design. A design methodology is presented for the engineering of requisite equipment for achieving a given goal. Concomitant equipment requirements are derived to provide a solution matching specified pre-determined design objectives, such as the degree of purity of products as well as the amount of output per unit time.
- Presents basic scientific models of diffusional processes and mass transfer with simultaneous chemical reactions
- Introduces the use of the open-sourced computer programming language R, for quantitative assessment in the analysis of models for simultaneous mass transfer and chemical reactions analysis
- Provides in-depth quantitative methodologies for engineering design calculations of NTU and/or NTP for designing the contacting conditions required to provide the needed degree of mass transfer for achieving stated design goals
- Recommends and specifies the required amount of hardware (heights of packings or the number of contacting plates) to achieve the needed mass transfer operation
Designers in Chemical, Biomolecular, and Petroleum Engineering. Undergraduate engineering students at university and design centers
1. Introduction to Simultaneous Mass Transfer and Chemical Reactions in Engineering Science
1.1 Gas-Liquid Reactions
1.2 The Modeling of Gas-Liquid Reactions
1.2.1 Film Theory of Mass Transfer
1.2.2 Surface Renewal Theory of Mass Transfer
1.2.3 Absorption into a Quiescent Liquid
1.2.3.1 Absorption Accompanied by Chemical Reactions
1.2.3.2 Irreversible Reactions
1.2.3.2.1 First-order Reactions
1.2.3.2.2 Instantaneous Reactions
1.2.3.2.3 Simultaneous Absorption of Two Reacting Gases
1.2.4 Absorption into Agitated Liquids
1.3 The Theory of Simultaneous Gas Absorption and Chemical Reactions in Mass Transfer Operations
1.3.1 The Mathematical Theory of Simultaneous Mass Transfer and Chemical Reactions
1.3.1.1 Physical Absorption
1.3.2 Chemical Absorption
1.3.2.1 Some Solutions to the Mathematical Models of the Theory of Simultaneous Mass Transfer and Chemical Reactions
1.3.2.2 Approximate Closed-Form Solutions
1.3.3 Numerical Solutions
1.4 Diffusive Models of Environmental Transport
2. Data Analysis Using R Programming
2.1 Data and Processing
2.2 Beginning R
2.2.1 A First Session Using R
2.2.2 The R Environment
2.3 R as a Calculator
2.3.1 Mathematical Operations Using R
2.3.2 Assignment of Values in R, and Computations using Vectors and Matrices
2.3.3 Computations in Vectors and Simple Graphics
2.3.4 Use of Factors in R Programming
2.3.5 Simple Graphics
2.3.6 x as Vectors and Matrices in Statistics
2.3.7 Some Special Functions that Create Vectors
2.3.8 Arrays and Matrices
2.3.9 Use of the Dimension Function dim in R
2.3.10 Use of the Matrix Function matrix in R
2.3.11 Some Useful Functions Operating on Matrices in R
2.3.1.2 NA ‘Not Available’ for Missing Values in Datasets
2.3.1.3 Special Functions That Create Vectors
2.4 Using R in Data Analysis in Human Genetic Epidemiology
2.4.1 Entering Data at the R Command Prompt
2.4.1.1 Creating a data-frame for R computation using the EXCEL spreadsheet (on a Windows platform)
2.4.1.2 Obtaining a Data Frame from a Text File
2.4.1.3 Data Entry and Analysis Using the Function data.entry()
2.4.1.4 Data Entry Using Several Available R Functions
2.4.1.5 Data Entry and Analysis Using the Function
2.4.1.6 Data Entry and Analysis Using the Function source()
2.4.1.7 Data Entry and Analysis Using the Spreadsheet Interface in R
2.4.1.8 Human Genetic epidemiology Using R: The CRAN Package GASTON in Genetics
2.4.2 The Function list() and the Making of data.frame() in R
2.5 Univariate, Bivariate, and Multivariate Data Analysis
2.5.1 Univariate Data Analysis
2.5.2 Bivariate and Multivariate Data Analysis
2.6 Some Final Remarks on Statistics and Biostatistics, Using R
Appendix 1 Documentation for the plot function Special References for Chapter 2
3. Theory of Simultaneous Mass Transfer and Chemical Reactions, with Numerical Solutions
3.0 The Concept of Diffusion
3.0.1 Fick’s Laws of Diffusion
3.0.1.1 Fick’s First Law of Diffusion
3.0.1.2 Fick’s Second Law of Diffusion
3.1 Mass Transfer Operations in Chemical Engineering
3.2 Theoretical Models of Mass Transfer
3.2.1 Nernst One-Film Theory Model and the Lewis-Whitman Two-Film Theory Model
3.2.2 Higbie Penetration Theory Model
3.2.3 Danckwerts Surface Renewal Theory Model
3.2.4 Boundary Layer Theory Model
3.2.5 Mass Transfer Under Laminar Flow Conditions
3.2.6 Mass Transfer Past Solids Under Turbulent Flow
3.2.7 Some Interesting Special Conditions of Mass Transfer
3.2.8 Applications to Chemical Engineering Design
3.2.8.1 Designing a Packed Column for the Absorption of Gaseous CO2 by a Liquid Solution of NaOH, Using the Mathematical Model of Simultaneous Gas Absorption with Chemical Reactions
3.2.8.2 Calculation of Packed Height Requirement for Reducing the Chlorine Concentration in a Chlorine-Air Mixture
3.3 Theory of Simultaneous Bimolecular Reactions and Mass Transfer in Two Dimensions
3.3.1 Part 1: Numerical Solutions of a Model in Terms of a System of Simultaneous Semi-Linear Parabolic Partial Differential Equations
3.3.2 Part 2: An Existence Theorem of the Governing System of Simultaneous Semi-Linear Parabolic Partial Differential Equations
3.3.3 Part 3: A Uniqueness Theorem of the Governing System of Simultaneous Semi-Linear Parabolic Partial Differential Equations
4. Numerical Worked Examples Using the R Package Reactran for Simultaneous Mass Transfer and Chemical Reactions
4.1 Introduction
4.2 Solving Partial Differential Equations Using the R Package ReacTran
4.3 Worked Examples:
Example 1: Solving Reactive Transport Equations Using R Package: ReacTran
Example 2: General Two-Dimensional Advective-Diffusive Transport: tran.2D
Example 3: General Three-Dimensional Advective-Diffusive Transport: tran.3D
Example 4: Diffusive Transport in Cylindrical (r, θ-theta, z), and Spherical (r, θ-theta, φ-phi) Coordinates: tran.cylindrical
Example 5: Diffusive Transport in Polar (r, θ-theta) Coordinates: tran.polar
Example 6: 1-D, 2-D, and 3-D Volumetric Advective–Diffusive Transport in an Aquatic System: tran.volume.1D, tran.volume.2D, tran.volume.3D
Example 7: Function for Plotting the Overall Change as Curves: plotCurves
Example 8: Function for Plotting the Overall Change in Reaction Activity: plotTotFlux
4.4 Some Final Remarks on Solving Partial Differential Equations Using the R Package ReacTran
5. Literature Survey of Mass Transfer and Chemical Reactions in Chemical Engineering Science
5.1 Chan, B. K. C. Simultaneous Mass Transfer and Chemical Reactions in Engineering Science
5.2 Choy, B. and Reible, D. D., Diffusion Models of Environmental Transport
5.3 Danckwerts, P. V., Gas-Liquid Reactions
5.4 Perry, R. H., Chilton, C. H. and Kirkpatrick, S. D., Perry’s Chemical Engineers’ Handbook, 4th edition
5.5 Sherwood, T. K. and Pigford, R. L., Absorption and Extraction
5.6 Wankat, P. C., Separation Process Engineering: Includes Mass Transfer Analysis, 4th edition
6. Solving Partial Differential Equations Using the R Package Reactran
6.1 Partial Differential Equations (PDE)
6.2 A Parabolic PDE
6.3 Steady-state Solution
7. Further Numerical Worked Examples Using R for Simultaneous Mass Transfer and Chemical Reactions
7.1 Chemical Engineering Science: The Theory of Simultaneous Mass Transfer and Chemical Reactions in Transport Phenomena – An Introduction Using R
7.2 Several numerical examples are chosen to illustrate and highlight the application of the R Program for numerical computations in Simultaneous Mass Transfer and Chemical Reactions in typical transport phenomena in Chemical Engineering Science.
7.2.1 Example A: Simultaneous Mass Transfer and Chemical Reactions Using R
7.2.1.1 1-D, 2-D, and 3-D Rectangular Geometries
7.2.1.2 Cylindrical Geometry
7.2.1.3 Polar Coordinates
7.2.1.4 1-D, 2-D, and 3-D Volumetric Advective-Diffusive Transport in an Aquatic System
7.2.2 Example B: Diffusive Models of Environmental Transport Using R
7.2.2.1 Equations for Diffusion in Environmental Transport
7.2.3 Example C: Numerical Worked Examples of Advection Using R for:
7.2.3.1 1-D, 2-D, and 3-D Rectangular Geometries
7.2.3.2 Cylindrical Geometry
7.2.3.3 Polar Coordinates
7.2.3.4 Reference: https://en.wikipedia.org/wiki/Advection
8. Practical Considerations in Equipment Design for Chemical Engineering Separation Processes Involving Simultaneous Mass Transfer and Chemical Reactions
8.1 Introduction to Chemical Engineering Separation Processes
8.1.1 Chemical Engineering Separation Processes
8.2 Packed Columns for Simultaneous Gas Absorption and Chemical Reactions
8.2.1 A Typical System Design Process
8.2.2 The Concept of the Height of a Transfer Unit (HTU) in Column Design
8.2.3 Design of Hardware for a Packed Column
8.2.3.1 System Design of a Packed Column
8.2.3.2 Design of a Packed Column
8.3 Plate (or Tray) Columns for Simultaneous Gas Absorption and Chemical Reactions
8.3.1 Design of Hardware for a Plate Column
8.3.2 The Concept of a Theoretical Plate
8.3.3 Design of Hardware for a Plate Column
8.3.3.1 System Design of a Plate Column
8.3.3.2 Design of a Plate Column
8.4 Some Remarks on the Comparative Advantages Between Plate and Packed Columns in Chemical Engineering Process Systems
- No. of pages: 1112
- Language: English
- Edition: 1
- Published: July 1, 2023
- Imprint: Elsevier
- Hardback ISBN: 9780128239971
- eBook ISBN: 9780128242476
BC
Bertram K.C. Chan
Bertram K.C. Chan is a Consulting Biostatistician at the Loma Linda University, Department of Biostatistics, California, and a Software Developer and Forum Lecturer at the School of Public Health, LLUH Department of Biostatistics and Epidemiology. He has a PhD degree in Chemical and Biomolecular Engineering at the University of Sydney. This was followed by 2 years of work as a Research Engineering Scientist (in Nuclear Engineering) at the Australian Atomic Energy Commission Research Establishment, and 2 years of a Canadian Atomic Energy Commission postdoctoral fellowship (in Chemical and Nuclear Engineering) at the University of Waterloo, Canada. His professional career includes university-level teaching and research experiences in several industrial institutions, including a Research Associateship in Biomedical and Statistical Analysis, Perinatal Biology Section, ObGyn Department, University of Southern California Medical School, teaching at Loma Linda University, Middle East University, and San Jose State University, and had held industrial research staff positions at Lockheed Missile & Space, Apple, and Hewlett-Packard. Dr. Chan had been granted three U.S. patents.
Affiliations and expertise
Consulting Biostatistician, Loma Linda University, Department of Biostatistics, California, USA