Smith / Inomata / Peters Introduction to Supercritical Fluids

A Spreadsheet-based Approach
1. Auflage 2013
ISBN: 978-0-08-093130-2
Verlag: Elsevier Science & Techn.
Format: EPUB
Kopierschutz: 6 - ePub Watermark

E-Book, Englisch, Band Volume 4, 752 Seiten

Reihe: Supercritical Fluid Science and Technology

This text provides an introduction to supercritical fluids with easy-to-use Excel spreadsheets suitable for both specialized-discipline (chemistry or chemical engineering student) and mixed-discipline (engineering/economic student) classes. Each chapter contains worked examples, tip boxes and end-of-the-chapter problems and projects. Part I covers web-based chemical information resources, applications and simplified theory presented in a way that allows students of all disciplines to delve into the properties of supercritical fluids and to design energy, extraction and materials formation systems for real-world processes that use supercritical water or supercritical carbon dioxide. Part II takes a practical approach and addresses the thermodynamic framework, equations of state, fluid phase equilibria, heat and mass transfer, chemical equilibria and reaction kinetics of supercritical fluids. Spreadsheets are arranged as Visual Basic for Applications (VBA) functions and macros that are completely (source code) accessible for students who have interest in developing their own programs. Programming is not required to solve problems or to complete projects in the text. - Property worksheets/spreadsheets that are easy to use in learning environments - Worked examples with Excel VBA Worksheet functions allow users to design their own processes - Fluid phase equilibria and chemical equilibria worksheets allow users to change conditions, study new solutes, co-solvents, chemical systems or reactions

Richard L. Smith, Jr., Ph.D in Chemical Engineering, Georgia Institute of Technology, Asia Regional Editor of The Journal of Supercritical Fluids. Hi is the author of more than 150 scientific papers related to properties, separations and materials with supercritical fluids.

Autoren/Hrsg.

Smith, Richard

Inomata, Hiroshi

Peters, Cor

Leseproben

List of Examples

Chapter 1  Examples - Chemical Vocabulary and Essentials

1.1 Expansion of water in a 3-L thermo hot pot

1.2 Initial and final pressure of a vessel containing CO2

1.3 Determination of the mass fraction of a mixed phase system

1.4 Liquid contained in a compressed gas cylinder

1.5 Location of paths on and phase diagrams

1.6 Visualization of paths on phase diagram

1.7 Energy requirements for heating a batch reactor

1.8 Energy requirements for heating a batch reactor with phase change

1.9 Energy required to vaporize liquid CO2 from the diagram

Chapter 2  Examples - Systems, Devices and Processes

2.1 Adiabatic mixing of streams at atmospheric pressure

2.2 Entropy generation and lost work for adiabatic mixing

2.3 Energy production from a turbine

2.4 Energy requirements and temperature rise for compressing liquid CO2

2.5 Energy requirements and temperature rise for compressing vapor CO2

2.6 Depressurization of CO2 through a control valve

2.7 Depressurization of CO2 through a valve into the two-phase region

2.8 Design of an air–water heat exchanger for hot water in the home

2.9 Design of a CO2 transcritical heat exchanger for making hot water

2.10 Design of an evaporator for liquid carbon dioxide

2.11 Solubility of paprika oleoresin in supercritical CO2

2.12 Design of a process for supercritical carbon dioxide extraction of paprika oleoresin

2.13 Fine particle products from Fe(NO3)3 in supercritical water

2.14 Mixing tee conditions for a supercritical water particle formation process

2.15 Space time for a supercritical water reactor

2.16 Increase of reactor space time with pressure for a supercritical water reactor

Chapter 3  Examples - Chemical Information and Know-How

3.1 Determine the chemical structure, SMILES formula, and basic physical properties of erythromycin

3.2 Estimate the sublimation pressure of erythromycin at 60 °C

3.3 Draw an editable chemical structure of erythromycin

3.4 Tabulate the thermophysical properties of CO2 at 60 °C from 0.0 to 30 MPa in 2 MPa increments

3.5 Locate some solubility data for the system CO2 and biphenyl

3.6 Determine whether solubility data have been reported for carbon dioxide and erythromycin

3.7 For dodecylbenzene, determine whether vapor pressure data exists

3.8 Determine the data that are available for 1-butyl-3-methylimidazolium chloride, [bmim][Cl]

3.9 Determine the data that are available for 1-butyl-3-methylimidazolium chloride, [bmim][Cl], as a binary mixture with CO2

3.10 Determine the most highly-cited research paper with the keyword “supercritical fluids”

3.11 Tracing a research thread

Chapter 4  Examples - Historical Background and Applications

4.1 Atom efficiency for hydrogenation of butyric acid

4.2 Assignment of phases in a ternary diagram

4.3 Binary component phase behavior from a ternary phase diagram

4.4 Determination of the phases present with a ternary phase diagram

4.5 Stream flow rates for a ternary system from the inverse lever rule

4.6 Stream flow rates for a feed stream that has a composition in the three-phase region

4.7 Solvent-to-feed ratio and deasphalted oil flow rate for a residuum

Chapter 5  Examples - Underlying Thermodynamics and Practical Expressions

5.1 Calculation with departure functions and residual functions

5.2 Determination of vapor () and liquid () exiting a separator

5.3 Application of material, energy and entropy balances to a supercritical extraction apparatus

5.4 Show the phase equilibrium relationships for a pure system that has vapor and liquid phases

5.5 Show the phase equilibrium relationships for a two-component (binary) system that has vapor and liquid phases

5.6 Calculation of the Gibbs energy of mixing

5.7 Calculation of the Gibbs energy of mixing

5.8 Phase equilibrium criteria in terms of the fugacities

5.9 Phase equilibrium criteria at low (atmospheric) pressure for (i) an ideal solution and for (ii) a nonideal solution represented by an excess Gibbs energy model

5.10 Calculation of phase equilibria from excess Gibbs energy expressions and analysis of stability

Chapter 6  Examples - Equations of State and Formulations for Mixtures

6.1 Span and Wagner EoS nonanalytical term

6.2 Gibbs energy of saturated liquid and vapor phases of CO2

6.3 Reduced critical isotherm of water and CO2 with reference equations

6.4 Compressibility of CO2 with a virial equation of state

6.5 Virial coefficients from the van der Waals equation of state

6.6 Critical isotherm of CO2 with equations of state using Excel VBA functions

6.7 Subcritical isotherm with the Peng-Robinson equation of state

6.8 Determination of vapor pressure graphically with the Peng–Robinson EoS

6.9 Program for solving the Peng-Robinson equation with Deiter’s method

6.10 Phase boundary of CO2 with the Peng–Robinson equation of state

6.11 Spinodal curve of the Peng–Robinson equation of state

6.12 Molar volume of a mixture with the Peng–Robinson equation of state

6.13 Fitting of the Peng–Robinson equation of state to mixture density data

6.14 Peneloux volume translation for the Peng–Robinson equation of state

6.15 Peneloux volume translation for solid–vapor equilibria (SVE) or solid–liquid–vapor equilibria (SLVE)

6.16 Fitting of the volume–translated Peng–Robinson equation of state (VTPR EoS) to saturation data

6.17 Equation of state constants with the Huron–Vidal concept of infinite pressure

6.18 Gibbs energy of mixing for SRK EoS with Huron–Vidal mixing rules

6.19 Equation of state constants from excess Gibbs energy models

6.20 Densities of the Sanchez–Lacombe equation of state (SL EoS)

6.21 Saturation properties of n–heptane with the Sanchez–Lacombe equation of state

6.22 Intermolecular potential function that includes short-range highly directional hydrogen bonding

6.23 Supercritical isotherm of CO2 with the pc-SAFT equation of state

Chapter 7  Examples - Phase Equilibria and Mass Transfer

7.1 Solubility of naphthalene in CO2 at atmospheric pressure

7.2 Conversion of the units and base of a sublimation pressure equation

7.3 Solubility of naphthalene in supercritical CO2 with the Peng–Robinson equation of state

7.4 Solid-liquid-vapor equilibrium (SLVE) curve of the biphenyl – carbon dioxide system with the Peng–Robinson equation of state

7.5 Solubility of...