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Nonequilibrium Gas Dynamics and Molecular Simulation

Starting from the behavior of individual atoms and molecules, including their
quantum mechanical energy states, Boyd and Schwartzentruber develop the rela-
tionships to classical thermodynamics and gas dynamics phenomena using the-
ory and simulation. Kinetic theory is used to relate the motion and collisions
of atoms and molecules to classical fluid dynamics. Quantum mechanics is used
to determine the allowed energy states that specific atoms and molecules may
occupy. Statistical mechanics uses the quantized energy states to describe the clas-
sical thermodynamics state of a gas. These three areas are combined in order to
study the nonequilbrium processes of internal energy relaxation and chemistry.
All of these theoretical ideas are employed in describing the direct simulation
Monte Carlo method, a numerical technique for analysis of nonequilibrium gas
dynamics that is based on molecular simulation. This book is aimed at graduate
students, engineers, and scientists involved in the study of nonequilibrium gas
dynamics.

Iain D. Boyd received a doctorate in aeronautics and astronautics from the Uni-
versity of Southampton. He worked at NASA Ames Research Center and Cor-
nell University, before joining the University of Michigan. He has authored more
than 200 journal articles and 300 conference papers. Professor Boyd is a Fellow of
the American Physical Society and a Fellow of the American Institute of Aero-
nautics and Astronautics from which he also received the 1998 Lawrence Sperry
Award. He has served on the editorial boards of Physics of Fluids, Journal of
Spacecraft and Rockets, Journal of Thermophysics and Heat Transfer, and Phys-
ical Review Fluids.

Thomas E. Schwartzentruber received his Bachelor’s degree in engineering sci-

ence and his Master’s degree in aerospace engineering from the University of
Toronto. He then received his doctorate degree in aerospace engineering from
the University of Michigan, advised by Prof. Iain Boyd. For his doctorate work
he received the AIAA Orville and Wilbur Wright graduate award. After joining
the faculty in the Aerospace Engineering and Mechanics department at the Uni-
versity of Minnesota, he received a Young Investigator Program Award from the
Air Force Office of Scientific Research (AFOSR) and the Taylor Career Devel-
opment Award from the University of Minnesota. He is currently an associate
professor and Russell J. Penrose Faculty Fellow.
 Cambridge Aerospace Series

Editors: Wei Shyy and Vigor Yang

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Machines
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42. Iain D. Boyd and Thomas E. Schwartzentruber: Nonequilibrium Gas Dynamics and
Molecular Simulation
NONEQUILIBRIUM
GAS DYNAMICS AND
MOLECULAR
SIMULATION

Iain D. Boyd
University of Michigan

Thomas E. Schwartzentruber
University of Minnesota
University Printing House, Cambridge CB2 8BS, United Kingdom
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www.cambridge.org
Information on this title: www.cambridge.org/9781107073449
10.1017/9781139683494
© Iain D. Boyd and Thomas E. Schwartzentruber 2017
This publication is in copyright. Subject to statutory exception
and to the provisions of relevant collective licensing agreements,
no reproduction of any part may take place without the written
permission of Cambridge University Press.
First published 2017
Printed in the United Kingdom by Lightning Source UK Ltd.
A catalogue record for this publication is available from the British Library.
Library of Congress Cataloging in Publication Data
Names: Boyd, Iain D., 1964– author. | Schwartzentruber, Thomas E., 1977–
author.
Title: Nonequilibrium gas dynamics and molecular simulation / Iain D. Boyd
(University of Michigan), Thomas E. Schwartzentruber (University of Minnesota).
Other titles: Cambridge aerospace series.
Description: Cambridge, United Kingdom ; New York, NY : Cambridge University
Press, 2017. | Series: Cambridge aerospace series | Includes
bibliographical references and index.
Identifiers: LCCN 2016045940| ISBN 9781107073449 (hardback ; alk. paper) |
ISBN 1107073448 (hardback ; alk. paper)
Subjects: LCSH: Gas dynamics – Mathematical models. | Molecular dynamics. |
Gas flow – Mathematical models. | Nonequilibrium thermodynamics. | Kinetic
theory of gases. | Monte Carlo method.
Classification: LCC QC168 .B63 2017 | DDC 533/.2–dc23
LC record available at https://lccn.loc.gov/2016045940
ISBN 978-1-107-07344-9 Hardback
Cambridge University Press has no responsibility for the persistence or accuracy of URLs
for external or third-party Internet Web sites referred to in this publication and does not
guarantee that any content on such Web sites is, or will remain, accurate or appropriate.
 Contents

List of Illustrations page ix

List of Tables xv
Preface xvii
Acknowledgments xxi

Part I Theory
1 Kinetic Theory 3
1.1 Introduction 3
1.2 Fundamental Concepts 3
1.2.1 Particle Model 4
1.2.2 Macroscopic Quantities from Molecular Behavior 6
1.2.3 Molecular Collisions 12
1.2.4 Molecular Transport Processes 14
1.3 Kinetic Theory Analysis 20
1.3.1 Velocity Distribution Function 20
1.3.2 The Boltzmann Equation 22
1.3.3 The H-Theorem of Boltzmann 26
1.3.4 Maxwellian VDF 29
1.3.5 Equilibrium Collision Properties 35
1.3.6 Free Molecular Flow onto a Surface 37
1.3.7 Kinetic-Based Analysis of Nonequilibrium Flow 44
1.3.8 Free Molecular Flow Analysis 48
1.4 Summary 50
1.5 Problems 51
2 Quantum Mechanics 54
2.1 Introduction 54
2.2 Quantum Mechanics 54
2.2.1 Heisenberg Uncertainty Principle 56
2.2.2 The Schrödinger Equation 57
2.2.3 Solutions of the Schrödinger Equation 60

v
vi Contents

2.2.4 Two-Particle System 62

2.2.5 Rotational and Vibrational Energy 65
2.2.6 Electronic Energy 68
2.3 Atomic Structure 69
2.3.1 Electron Classification 69
2.3.2 Angular Momentum 69
2.3.3 Spectroscopic Term Classification 71
2.3.4 Excited States 72
2.4 Structure of Diatomic Molecules 73
2.4.1 Born–Oppenheimer Approximation 74
2.4.2 Rotational and Vibrational Energy 77
2.4.3 Electronic States 78
2.5 Summary 81
2.6 Problems 82
3 Statistical Mechanics 84
3.1 Introduction 84
3.2 Molecular Statistical Methods 84
3.2.1 Energy Groups 87
3.3 Distribution of Energy States 90
3.3.1 Boltzmann Limit 92
3.3.2 Boltzmann Energy Distribution 94
3.4 Relation to Thermodynamics 95
3.4.1 Boltzmann’s Relation 97
3.4.2 Macroscopic Thermodynamic Properties 98
3.5 Partition Functions 99
3.5.1 Translational Energy 99
3.5.2 Internal Structure 103
3.5.3 Monatomic Gas 104
3.5.4 Diatomic Gas 107
3.6 Dissociation–Recombination System 111
3.7 Summary 114
3.8 Problems 114
4 Finite-Rate Processes 118
4.1 Introduction 118
4.2 Equilibrium Processes 119
4.2.1 Vibrational Energy 119
4.2.2 Equilibrium Chemistry 121
4.2.3 Equilibrium Constant 124
4.2.4 Equilibrium Composition 124
4.3 Vibrational Relaxation 126
4.3.1 Vibrational Relaxation Time 127
4.4 Finite-Rate Chemistry 129
4.4.1 Rate Coefficient 133
vii Contents

4.4.2 Effects of Internal Energy 136

4.4.3 Calculation of Dissociation Rates 138
4.4.4 Finite-Rate Relaxation 140
4.5 Summary 144
4.6 Problems 144

Part II Numerical Simulation

5 Relations Between Molecular and Continuum Gas Dynamics 149
5.1 Introduction 149
5.2 The Conservation Equations 150
5.3 Chapman–Enskog Analysis and Transport Properties 155
5.3.1 Analysis for the BGK Equation 156
5.3.2 Analysis for the Boltzmann equation 162
5.3.3 Analysis for Gas Mixtures 165
5.3.4 General Transport Properties of Polyatomic Mixtures 168
5.4 Evaluation of Collision Cross Sections and Transport
Properties 173
5.4.1 Collision Cross Sections 173
5.4.2 Hard-Sphere Interactions 175
5.4.3 Inverse Power-Law Interactions 176
5.4.4 General Interatomic Potentials 178
5.5 Summary 181
6 Direct Simulation Monte Carlo 183
6.1 Introduction 183
6.2 DSMC Basics 188
6.2.1 Fundamentals 188
6.2.2 Particle Movement and Sorting 193
6.2.3 Collision Rate 197
6.2.4 Cell and Particle Properties 202
6.3 Models for Viscosity, Diffusivity, and Thermal Conductivity 204
6.3.1 The Variable Hard-Sphere Model 204
6.3.2 The Variable Soft-Sphere Model 216
6.3.3 Generalized Hard-Sphere, Soft-Sphere, and LJ Models 218
6.3.4 Thermal Conductivity 224
6.3.5 Model Parametrization 225
6.4 Internal Energy Transfer Modeling in DSMC 226
6.4.1 Continuum and Molecular Models 226
6.4.2 Post-collision Energy Redistribution 228
6.4.3 Inelastic Collision Pair Selection Procedures 236
6.4.4 Generalized Post-collision Energy Redistribution 244
6.5 Summary 250
viii Contents

7 Models for Nonequilibrium Thermochemistry 252

7.1 Introduction 252
7.2 Rotational Energy Exchange Models 252
7.2.1 Constant Collision Number 253
7.2.2 The Parker Model 253
7.2.3 Variable Probability Exchange Model of Boyd 254
7.2.4 Nonequilibrium Direction Dependent Model 255
7.2.5 Model Results 256
7.3 Vibrational Energy Exchange Models 259
7.3.1 Constant Collision Number 259
7.3.2 The Millikan–White Model 260
7.3.3 Quantized Treatment for Vibration 263
7.3.4 Model Results 265
7.4 Dissociation Chemical Reactions 267
7.4.1 Total Collision Energy Model 267
7.4.2 Redistribution of Energy Following a Dissociation Reaction 273
7.4.3 Vibrationally Favored Dissociation Model 276
7.5 General Chemical Reactions 277
7.5.1 Reaction Rates and Equilibrium Constant 277
7.5.2 Backward Reaction Rates in DSMC 281
7.5.3 Three-Body Recombination Reactions 287
7.5.4 Post-Reaction Energy Redistribution and General
Implementation 289
7.5.5 DSMC Solutions for Reacting Flows 293
7.6 Summary 309
Appendix A Generating Particle Properties 311

Appendix B Collisional Quantities 323

Appendix C Determining Post-Collision Velocities 329

Appendix D Macroscopic Properties 338

Appendix E Common Integrals 346

References 349
Index 357
 Illustrations

1.1 Macroscopic and molecular views of a gas at rest page 4

1.2 Interaction potential for two argon particles 5
1.3 Hard-sphere interaction potential for two argon particles 6
1.4 Inverse power law interaction potential for two argon particles 7
1.5 A particle undergoing specular reflection from a wall 8
1.6 Trajectory of a typical particle 9
1.7 Sphere of influence for the collision of two like particles 12
1.8 Actual path of the particle 13
1.9 Simplified path of the particle 13
1.10 Collisional merging of two different VDFs 15
1.11 Assumed situation for analysis of transport properties 16
1.12 Illustration of how the particle velocity component in r2
affects transport of translational energy 19
1.13 Volume element in velocity space 21
1.14 Particle scattering in an intermolecular collision 24
1.15 Variation of Boltzmann’s H-function with time 29
1.16 Maxwellian VDF in one dimension 33
1.17 Maxwellian speed distribution 34
1.18 Coordinate system for particle fluxes 38
1.19 Free molecular analysis of the surface properties of the
Sputnik spacecraft: (a) pressure coefficient; (b) heat flux 43
1.20 Aerodynamic forces on a surface element 44
1.21 Collisionless jet expansion: profiles of (a) number density and
(b) velocity 50
2.1 Wave packet representation of particle behavior 55
2.2 Thought experiment for measurement of particle properties 56
2.3 Two-particle coordinate system 63
2.4 Rotations and vibrations of a diatomic particle 65
2.5 Quantized vibrational energy levels for the harmonic
oscillator model 67
2.6 Portion of the nitrogen atom energy spectrum showing fine
structure 71
2.7 Energy level diagram for atomic nitrogen 73
ix
x Illustrations

2.8 Comparison of atomic and molecular electronic states 75

2.9 Schematic of the ground electronic potential function 75
2.10 Illustration of ground and first electronically excited
molecular states 76
2.11 Schematic diagram of ro-vibrational levels 79
2.12 Potential energy diagram for the three lowest lying electronic
states of molecular nitrogen 80
3.1 Cartesian space for the translational quantum numbers 86
3.2 Energy group structure 87
3.3 Illustration of different macrostates 87
3.4 Counting of microstates using Bose–Einstein statistics 89
3.5 Counting of microstates using Fermi–Dirac statistics 89
3.6 Isothermal expansion of a gas into a vacuum 96
3.7 Translational energy distribution function 100
3.8 Electronic specific heat as a function of temperature 106
3.9 Number of vibrational degrees of freedom as a function of
temperature 110
3.10 Relative energies of atoms and molecules 112
4.1 Specific internal energies as a function of temperature for N2 120
4.2 Vibrational energy distributions for N2 120
4.3 Characteristic density for dissociation of N2 123
4.4 Equilibrium degree of dissociation 123
4.5 Equilibrium composition of air (a) at 1 atm; (b) at 0.01 atm 125
4.6 Vibrational relaxation in a heat bath 127
4.7 Vibrational and rotational collision numbers for air molecules 128
4.8 Equilibrium constant for nitrogen dissociation–recombination 132
4.9 Nitrogen dissociation rate as a function of temperature 133
4.10 Effect of collision orientation on reaction likelihood 134
4.11 Illustration of the line of centers of a collision 135
4.12 NO–NO dissociation rates as a function of temperature 140
4.13 Species mass fractions as a function of time for the (N2 , N)
system for a fixed temperature 141
4.14 Species mass fractions and temperature as a function of time
for the (N2 , N) system 142
4.15 Species mole fractions as a function of time for air at fixed
temperature 143
5.1 Various numerical methods and associated model parameters 150
5.2 Momentum transfer due to thermal molecular motion relative
to the bulk flow velocity 152
5.3 Viscosity and momentum cross sections and collision integrals
for Lennard–Jones and inverse power law potential energy
functions 178
6.1 Gas flow regimes and implications for physical models 184
xi Illustrations

6.2 Schematic of the underlying characteristics of the DSMC

method 189
6.3 Schematic of DSMC simulation particles within collision cells
and sampled distribution function 193
6.4 Examples of flow field grids used in DSMC implementations 194
6.5 Particle tracking procedures relevant to the DSMC method 196
6.6 Instantaneous collision rate and temperature computed for a
uniform, equilibrium, argon gas. Symbols represent quantities
calculated at each timestep and lines represent time averaged
quantities. Circles and solid line refer to the collision rate
fraction. Triangles and dashed line refer to the gas
temperature 208
6.7 Normalized density profiles in a Mach 9 argon shock wave 211
6.8 Distribution functions for x-velocity within a normal shock
wave in argon 212
6.9 Normalized He and Xe profiles for a Mach 3.61 normal shock
wave (1.5% Xe and 98.5% He) predicted by DSMC and pure
MD simulation 214
6.10 Binary viscosity and diffusion coefficients, for He–Xe
interactions, corresponding to various models 215
6.11 Viscosity and momentum cross sections corresponding to the
VSS model, in function of α 216
6.12 Viscosity coefficients for argon corresponding to various
models 223
6.13 Density and temperature profiles within the shock wave 223
6.14 The process to select an inelastic collision using selection
procedure (C). In the figure, Rn (n = 1, 2, 3, 4) are uniform
random numbers between 0 and 1, and Prot,i , Pvib,i (i = 1 or 2)
are the rotational and vibrational inelastic collision
probabilities used in DSMC for particle i 238
6.15 Rotational and vibrational relaxation temperature histories in
an isothermal reservoir 244
6.16 Comparison of two different selection procedures for
rotational relaxation in a two species mixture in an isothermal
reservoir simulation 244
7.1 Experimental and computational data for the rotational
collision number 257
7.2 Rotational relaxation for different models 258
7.3 Temperature dependence of the vibrational relaxation time
constant τvib and collision number Zvib 262
7.4 Rotational and vibrational excitation using various models 266
7.5 Dissociation probability as a function of collision energy for
various model parameter values 271
xii Illustrations

7.6 Schematic showing the procedure to determine post-collision

energies following a dissociation reaction 273
7.7 Comparison of existing experimental dissociation rate
coefficients for N2 279
7.8 The left-hand side of Eq. 7.57 for reactions 4 and 5 as a
function of temperature 282
7.9 Backward reaction rates for the Zeldovich exchange reaction,
involving O2 + N, as a function of temperature 284
7.10 Backward reaction rates for the Zeldovich exchange reaction,
involving NO + N, as a function of temperature 284
7.11 Equilibrium composition as a function of temperature when
only the Zeldovich exchange reactions are included. Plotting
scheme: solid line = forward rates from Table 7.2 and
backward rates evaluated from accurate equilibrium
constants; dashed line = rates from Table 7.3. ◦ = N2 ,
 = O2 , ∇ = N,  = O,  = NO 286
7.12 Schematic showing the procedure to determine post-collision
energies following an exchange reaction 289
7.13 Schematic showing the procedure to determine post-collision
energies following a recombination reaction 289
7.14 Isothermal relaxation of nitrogen to Ttr = 6500 K 296
7.15 Isothermal relaxation of nitrogen to Ttr = 13,000 K showing
system temperatures and composition 297
7.16 Isothermal relaxation of nitrogen to Ttr = 20,000 K showing
system temperatures and composition 298
7.17 Adiabatic relaxation of nitrogen, initialized with Ttr = 13,000
K and Trot = Tvib = 200 K 299
7.18 Adiabatic relaxation of nitrogen, initialized with
Ttr = 20,000 K and Trot = Tvib = 200 K 300
7.19 Isothermal relaxation of air to Ttr = 6500 K 301
7.20 Isothermal relaxation of air to 13,000 K 303
7.21 Isothermal relaxation of air to 20,000 K 304
7.22 Contours of translational temperature for Mach 12 nitrogen
flow over a 8 cm diameter cylinder at 70 km altitude.
Chemical reactions are not considered 305
7.23 Stagnation line profiles for non-reacting nitrogen flow over a
cylinder 306
7.24 Stagnation line profiles for dissociating nitrogen flow over a
cylinder 307
7.25 Stagnation line temperature profiles in dissociating air flow
over a cylinder 308
7.26 Stagnation line profiles for species mass fractions in
dissociating air flow over a cylinder 308
xiii Illustrations

A.1 Face-normal coordinate system used to determine particle

flux through a planar element and particle properties 318
C.1 Schematic showing the procedure to determine post-collision
velocity vectors following a dissociation reaction 333
C.2 Schematic showing the procedure to determine post-collision
velocity vectors following an exchange reaction 334
C.3 Schematic showing the procedure to determine post-collision
velocity vectors following a recombination reaction 336
 Tables

1.1 Molecular Transport Properties page 15

2.1 First Few Quantized Translational Energy Levels 62
2.2 Table of Electron Classification 70
2.3 Lowest Lying Electronic States of Air Atoms 72
2.4 Ground State Molecular Constants for the NRR/AHO Model 78
3.1 Distributions of Particles in Energy States 85
4.1 Sources of Energy for Nitrogen Dissociation Reactions 138
5.1 Atomic Parameters 179
5.2 Mixture Viscosities Computed from LJ Interatomic Potential
Parameters 180
6.1 VHS Model Parameters 213
6.2 GHS-Weak Model Parameters for Argon 222
6.3 Simulation Parameters Specific to Each Collision Pair 243
7.1 Parameter Values for the Millikan–White Vibrational
Relaxation Model for Air Species 261
7.2 Forward Reaction Rate Coefficients (m3 /molecule/s) for
Five-Species High-Temperature Air 278
7.3 Backward Reaction Rate Coefficients (m3 /molecule/sec) Fit in
Modified Arrhenius Form for Possible Use in DSMC 283
7.4 DSMC Model Parameters for Each Species 294
7.5 DSMC VHS Model Parameters for Each Species Pair 294

xv
 Preface

There are two top-level goals that we aim to address in this book: (1) to pro-
vide a description of a gas by considering its most basic constituents, i.e.,
atoms and molecules, and (2) to introduce readers to computer simulation
techniques that are available to analyze a gas at this fundamental level.
The first question we must ask ourselves is, Why should we consider a
gas at the molecular level? After all, there are well-established equations and
ideas that provide accurate descriptions of gas flow at the macroscopic level
that employ variables such as density, flow velocity, temperature, and pres-
sure, and these represent properties that take into account the molecules in
an aggregate sense. Certainly, the molecular approach will provide us with a
deeper understanding of all gas flows. However, more than that, under cer-
tain conditions, the aggregate, or sometimes called fluid, approach is not able
to provide a physically accurate picture of the gas. We will find that these con-
ditions arise when there is either not enough time or physical space for a suffi-
cient number of intermolecular collisions to occur to maintain the gas in the
well-understood equilibrium state. We refer to such conditions as nonequi-
librium. To describe nonequilibium flows accurately, we need to study the
molecular nature of the gas.
There are a number of important application areas in aerospace engi-
neering where nonequilibrium gas flows arise. In general, we will find that
nonequilibrium occurs when the gas flow is at low density and/or involves
very small length scales. One important application area for nonequilibrium
is the flight of high-speed vehicles at very high altitude in the Earth’s atmo-
sphere. Examples include spacecraft returning from orbit, such as the space
shuttle, or hypersonic cruise vehicles. These vehicles have a length scale of
several meters, and move at very high speed so that the flow field surround-
ing them involves very high temperatures. However, it is their operation in
the low-density environment of near-space that leads to nonequilibrium gas
flow phenomena. We focus on low-density, high-temperature air in many of
the examples and analyses presented throughout the book.
A second important technology area involving nonequilibrium gas flow
is micro- and nanoelectromechanical systems (MEMS/NEMS) that involve
fabrication and operation of very small machines based on microfabrication

xvii
xviii Preface

technology. When these devices involve gas flow, the velocities are usually
very low and certainly subsonic, and the pressure and temperature are close to
atmospheric. In this case, it is the very small length scales, around 1 micron =
10−6 m, that may give rise to nonequilibrium gas flow behavior.
A third example of nonequilibrium flow is for small rockets used to maneu-
ver spacecraft when they are in orbit. There are a number of different types
of these spacecraft thrusters, but they are generally supersonic, involve rela-
tively low-pressure gas or plasma, and have length scales of a few centimeters.
This is a case where it is a combination of low pressure and small length scale
that gives rise to nonequilibrium phenomena. The same type of physical situ-
ation occurs in related technology areas such as vapor deposition and etching
machines employed in the materials processing industry.
Another motivation for considering the molecular properties of gas is that
this is required to understand a number of modern optical diagnostics tech-
niques that are used to study gas flows whether they are in a state of equilib-
rium or not. Examples of such diagnostics include emission spectroscopy and
laser-induced fluorescence. These techniques rely on the quantum mechanical
energy structure of atoms and molecules to derive basic gas flow information
such as density, flow velocity, and temperature.
The book is divided into two parts based on the overall goals, with the first
part focusing on fundamental considerations, and the second part dedicated
to describing computer simulation methods.
The first section covers three different areas: (1) kinetic theory, (2) quantum
mechanics, and (3) statistical mechanics. Important results from these three
areas are then brought together to allow analysis of nonequilibrium processes
in a gas based on molecular level considerations.
Chapter 1 covers kinetic theory, in which the basic idea is to develop tech-
niques to relate the properties and behavior of particles, representing atoms
and molecules, to the fluid mechanical aspects of a gas at the macroscopic
level. This requires us to provide a basic definition by what is meant by a par-
ticle, and how these particles interact with one another through the mecha-
nism of intermolecular collisions. This leads us into a discussion of model-
ing macroscopic molecular transport processes, such as viscosity and thermal
conductivity, that represents one of the first key successes of kinetic theory.
We will find that kinetic theory relies on the use of statistical analysis tech-
niques, such as probability density functions, owing to the very large volumes
of information involved in tracking the behavior of every single particle in a
real gas flow. We will formulate the governing equation of kinetic theory, the
Boltzmann equation, in terms of the velocity distribution function. We will
find that general solution of the Boltzmann equation is challenging because
of its mathematical properties. However, simple solutions are readily avail-
able for equilibrium conditions, and these can be further employed for anal-
ysis of the properties at a surface in free molecular flows, ones in which there
xix Preface

are no intermolecular collisions. We also review methods derived from the

Boltzmann equation for analysis of nonequilibrium gas flows.
In Chapter 2, we cover the internal energy structure of atoms and
molecules. This involves consideration of the basic ideas of quantum
mechanics, where once again a statistical modeling approach is required.
However, in this case the need for such an approach is dictated by the Heisen-
berg Uncertainty Principle related to the wavelike properties that particles
possess. Through the introduction of a number of fundamental postulates,
we derive the governing equation of quantum mechanics, the Schrödinger
equation for a number of different cases. Solution of the Schrödinger Equa-
tion gives rise to the quantized energy states that specific atoms and molecules
are allowed to occupy. Specifically, we find that there are four different energy
modes that different particles may acquire: translational, electronic, rota-
tional, and vibrational, with the last two occurring only in molecules. In this
chapter, we also study the actual energy structure of atoms and molecules
that occur in high-temperature air as we will need this information in later
analyses.
Chapter 3 addresses statistical mechanics in which the aim is to relate parti-
cle behavior to macroscopic thermodynamics. This connection is established
through the Boltzmann relation, which links the random nature of particle
behavior to macroscopic entropy. The random nature is quantified by analy-
sis of how particles can be arranged across the quantized energy states avail-
able to them. Once again, a statistical approach is required and this time it is
due to the very large number of quantized energy states that we determined
in Chapter 2. Two different statistical counting methods are presented, and
through analysis we derive partition functions that provide a pathway to clas-
sical thermodynamics. We also extend our results to the case of a chemically
reacting system for use in later analysis of such phenomena.
Chapter 4 concludes the first part of the book by bringing together ideas
from kinetic theory, quantum mechanics, and statistical mechanics in order
to analyze finite-rate, nonequilibrium processes. The processes of interest
include change in the vibrational energy of a gas and chemical reactions.
In each case, these phenomena proceed at the molecular level through inter-
molecular collisions, and in general require a finite amount of time to reach
completion, which is referred to as the equilibrium state. We first consider the
limiting case where this state is reached instantaneously, and consider equi-
librium results for both vibrational energy and chemical composition. We
then analyze these same processes at the molecular level, using results from
Chapters 1 to 3, to formulate approaches that allow finite-rate, nonequilib-
rium analysis of vibrational and chemical relaxation.
The second part of the book describes computational simulation
approaches for the analysis of nonequilibrium gas phenomena that are based
on the fundamental ideas presented in Chapters 1 through 4.
xx Preface

In Chapter 5 the mathematical connection between the Boltzmann equa-

tion and the most commonly used forms of the continuum Navier–Stokes
equations is developed in the limit of near-equilibrium flow. In the process, a
quantitative measure for the accuracy and applicability of the Navier–Stokes
equations under nonequilibrium flow conditions is established. This theory
reveals how interatomic forces (the model for molecular dynamics calcula-
tions) are related to collision cross sections (the model for direct simulation
Monte Carlo [DSMC]), and how these cross sections determine the trans-
port properties for viscosity, thermal conductivity, and diffusivity (the mod-
els used in continuum computational fluid dynamics calculations). A main
goal of Chapter 5 is to establish the collision cross section as a physically
meaningful parameter that becomes the key model parameter for the DSMC
method.
Chapter 6 describes, in detail, the DSMC method. DSMC is a stochas-
tic particle simulation method that simulates the Boltzmann equation. The
applicable flow regimes for the DSMC method are first outlined. Well-
established algorithms for calculating collision rates and collision outcomes
are presented. The manner in which these collision models determine the
gas viscosity, thermal conductivity, and diffusivity are described and exam-
ple simulations are presented. DSMC models and algorithms for internal
energy exchange are described and consistency with continuum models is
analyzed. For nonequilibrium flows without chemical reactions, the compu-
tational models and algorithms detailed in Chapter 6 enable accurate simu-
lations of the Boltzmann equation for flows ranging from continuum to free
molecular.
Finally, Chapter 7 presents DSMC models and algorithms for nonequi-
librium reacting flows. High-temperature reacting flows involve significant
rotational and vibrational energy excitation and coupling to chemical reac-
tions. The DSMC collision models detailed in Chapter 7 are well established
in terms of their physical accuracy and computational efficiency. We present
example DSMC simulations for high-temperature reacting air flows, and
discuss the most current research and prospects for future DSMC models
required for nonequilibrium reacting flows.
This book grew out of two different graduate-level courses taught by the
authors. Part I is based on a course on nonequilibrium molecular gas dynam-
ics that is a core graduate class in aerospace engineering at the University of
Michigan. It provides the fundamental background needed to understand
Part II that is based on an advanced graduate class on computer simulation
of gas dynamics in aerospace engineering at the University of Minnesota.
In addition to serving as a textbook for such graduate classes, the contents
of the book will be useful for researchers in nonequilibrium gas dynamics
to understand the basic physical phenomena, as well as how to analyze such
flows using computer simulation.
 Acknowledgments

Many people have contributed to the development of this book, including

all the students who have taken our classes, who found errors and suggested
improvements. At Michigan, we would specifically like to thank Eunji Jun
for generating a first set of electronic notes, Horatiu Dragnea for typesetting
notes, and Erin Farbar. At Minnesota, we would like to thank Ioannis Nom-
pelis for writing the parallel DSMC code used for the simulations in Part II of
this text, Paolo Valentini for his research contributions to molecular dynam-
ics modeling of nonequilibrium gases, and Chongling Zhang for his research
contributions to particle selection procedures and internal energy transfer
modeling as well as for implementing many of the thermochemistry mod-
els into the Minnesota DSMC code. Lastly, we thank Kate Boyd for graphic
design.
The contents of the book have also benefited tremendously from the
opportunities afforded the authors by various funding sources that have
allowed us to pursue basic research in nonequilibrium gas dynamics for
many years. We would like to thank the Air Force Office of Scientific
Research (Aerothermodynamics Program, Space Propulsion Program,
Molecular Dynamics Program, Young Investigator Program), the Air Force
Research Laboratory (Aerospace Systems Directorate, Space Vehicles Direc-
torate), and the National Air and Space Administration (Ames Research
Center, Glenn Research Center, Johnson Space Center).

xxi
Part I
Theory
 1 Kinetic Theory

1.1 Introduction

The primary aim of kinetic theory is to relate molecular level behavior to

macroscopic gas dynamics. This is achieved by consideration of the behavior
of individual particles, and integrating their collective properties up to the
macroscopic level. Consider the simple case of a gas at rest as illustrated in
Fig. 1.1. At the macroscopic level, this is an uninteresting situation because
all the gas properties, such as density (ρ), pressure (p), and temperature (T ),
are constants. However, at the molecular level, there is a great deal of activ-
ity with particles traveling individually at relatively high speed, and under-
going collisions with other particles. When one considers the behavior of
particles at the molecular level, they really only undergo two processes: trans-
lational motion in space due to their velocity, and intermolecular collisions
with other particles in the gas. While kinetic theory analysis has to consider
these two physical phenomena, we will see that it is a complex process. For
example, the motions of particles will be divided into consideration of bulk,
directed motion, and random, thermal motion. Collisions of particles involve
a nonlinear process that includes elastic events where only the particle veloc-
ities change, and inelastic processes involving energy exchange with internal
modes and even chemical reactions.

1.2 Fundamental Concepts

In this section, we first provide an introduction to some basic concepts and

definitions that will be needed to achieve our goal of relating molecular
behavior to macroscopic gas dynamics. We then employ these concepts later
in the chapter to analyze a number of different gas flow situations.

3
 4 Kinetic Theory

Macroscopic Molecular

ρ, p, T

no gradients

Macroscopic and molecular views of a gas at rest.

Figure 1.1

1.2.1 Particle Model

The particle is the fundamental unit in kinetic theory and we will use this term
generically to refer to atoms and molecules. Each particle has the following
properties:

r Mass (typically around 10−26 to 10−25 kg)

r Size (typically a few 10−10 m)
r Position, velocity, and internal energy

The mass of a particle is simply the sum of the masses of its constituent
atoms. Position is the center of mass location of the constituent atoms and
velocity is the center-of-mass velocity of those atoms. For molecules, atomic
motion relative to the center of mass (i.e., rotation and vibration) contributes
to the internal energy of the particle. The sources of internal energy that a
particle of a particular chemical species can possess will be treated in detail
using quantum mechanics in Chapter 2. In our introductory treatment of
kinetic theory, we will ignore the internal energy for now. In addition, to fix
ideas, let us focus on a simple gas, i.e., one in which all particles are of the
same species.
Particle mass is a well-defined quantity, size is not so clear. An atom con-
sists of a nucleus, composed of neutrons and protons, surrounded by orbit-
ing electrons, so how large is it? This is an important question, as parti-
cle size determines the nature of intermolecular collisions. In real collisions,
particles interact through the field that is formed as a result of the electro-
static Coulomb forces that act between the elementary charges, the protons
and electrons, of the interacting bodies. Figure 1.2 shows an example of the
potential energy acting between two argon atoms as a function of their dis-
tance of separation. The curve illustrates two main points: (1) At large dis-
tances of separation, there is a weak attractive force bringing particles closer
together; and (2) at small distances of separation, there are strong repulsive
forces pushing the particles apart.
 5 1.2 Fundamental Concepts

1E-20

5E-21
Potential Energy (J)

repulsion

0
attraction

equilibrium

−5E-21
0 5E-10 1E-09
Separation (m)

Interaction potential for two argon particles.

Figure 1.2

The weak forces causing attraction are important only at very low gas tem-
perature (e.g., less than 100 K) for the relatively simple species that we will
focus on, and so this effect can usually be ignored. We therefore concentrate
our attention on the repulsive part of the potential field, and, to simplify
mathematical analysis, we limit our consideration to two simple models.

(i) Hard sphere (rigid elastic sphere)

This model assumes that each particle has a hard shell, and that a colli-
sion occurs only when the surface of one particle is in contact with the
surface of another, and so the dynamics resembles that of two billiard
balls colliding. Mathematically, this says that the force field between two
particles is zero everywhere except at a distance of separation equal to
the diameter of one of the spheres. The diameter of the sphere is approx-
imately located at a separation distance in Fig. 1.3, where the potential
energy increases rapidly to infinity, at about 3.3 × 10−10 m.
(ii) Inverse power law
It is clear that in the real potential energy field, there is a finite slope as
the energy rises, rather than going immediately to infinity, as assumed in
the hard sphere model. The next best level of assumption is the inverse
power law model that aims to better represent the repulsive part of the
real potential using an inverse power law for force:

a
F =
rη
 6 Kinetic Theory

1E-20

5E-21
Potential Energy (J)

repulsion

0
attraction

−5E-21
0 5E-10 1E-09
Separation (m)

Hard-sphere interaction potential for two argon particles.

Figure 1.3

e.g., for argon, η = 10, and the associated potential is shown in Fig. 1.4.
The parameters a and η can be determined through comparisons with
viscosity measurements. In this model, there is no well-defined particle
size, the model provides a softer interaction than the hard sphere, and in
doing so better reproduces the viscosity temperature dependence of the
gas at a macroscopic level. This is formulated rigorously in Chapter 5.

1.2.2 Macroscopic Quantities from Molecular Behavior

To begin to develop relationships between particle behavior and macroscopic
gas flow quantities, we start with some simple results based on a collection of
particles. As mentioned previously, we assume a small number of basic prop-
erties for each particle, i: a mass (mi ), a hard-sphere diameter (di ), a position
r̄i = (r1 , r2 , r3 )i , and a velocity C̄i = (C1 , C2 , C3 )i . In the following, we develop
simple relations for some of the most fundamental gas flow properties of den-
sity, pressure, temperature, and velocity.

(i) Density
Consider a small volume containing a total of N particles. The number
density is the number of particles per unit volume, and is given by

N
1
i=1
n= (1.1)
δV
Another random document with
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misma crueldad, te deleitas y
recibes contentamiento en verme
metido en este piélago de
persecuciones. Bien creo que, si
alguno se puede llamar infierno,
fuera de aquel en que los
condenados perpetuamente
padecen, que será éste en que
agora yo me veo, que según son
semejantes mis penas á las
suyas, la mayor diferencia que me
parece que hay es que ellos sin
redención penarán para siempre y
tú podrías restituirme y ponerme
en la cumbre de la gloria de tu
gracia, viéndome yo con algún
favor de manera que pensasen
ser restituido en ella, y no tan
desfavorecido como con
respuestas tan desabridas me he
hallado. Pero ¿de qué me agravio
que, si bien lo miro todo, poca
razón tengo de quexarme, pues
que todo el amor está en mí para
contigo, sin dexar ninguno ni
parte dél para que tú lo puedas
tener conmigo? Yo tengo la fe tan
entera, la amistad tan cumplida, la
ley tan verdadera, que todo esto
se queda en mí y tú estás tan
libre y exenta, que para lo que
aprovecharán mis agravios será
para que te rías dellos con
aquella libertad que has
mostrado, teniéndome á mí en
una prisión y cautiverio perpetuo;
lo que siento que me puede
quedar de lo passado es la
contemplación de una tristeza
dulce, trayendo á mi memoria
aquellas palabras de «tiempo
bueno, que dicen, fue tiempo y
horas ufanas, en que mis días
gozaron, aunque en ellas se
sembraron las simientes de mis
canas; yo me vi ser bien amado,
mi deseo en alta cima contemplar
en lo passado; la memoria me
lastima»; el tiempo, Belisia mía,
me da bien el pago de no haber
sabido gozarlo, y con verme cual
me veo lo tengo por mejor que
haber passado un punto de lo que
por tu voluntad mostrabas y
querías; cuando quiero quexarme
de mí mesmo, la razón riñe
conmigo, diciendo que no me
quexe del buen comedimiento
que tuve, pues que consigo tiene
el galardón y contigo queda la
culpa de la ingratitud y
desconocimiento de lo mucho que
me debes. Si el tiempo fuera más
largo no me maravillara tanto de
ver esta mudanza, aunque
ninguna cosa había de bastar
para hacerla; pero siendo tan
breve, paréceme que aquel amor
que me mostraste, aquel
sentimiento que vi para verme á
mí siempre sin libertad ninguna,
aquella fe que estonces se me
puso delante tan verdadera,
aquellas lágrimas con que parecía
sellarse la affición y voluntad que
se mostraba, que todo estaba
colgado de un hilo tan delgado
que sólo el viento bastó para
quebrarlo. Cuando me acuerdo de
algunas cosas que por mí
pasaron, paréceme imposible lo
que veo, por que no eran prendas
de tan poca fuerza que tan presto
habían de olvidarse, y assí ando
con el juicio desatinado,
buscando cuál podría ser la
causa; porque en mí no ha habido
falta sino de los servicios, y ésta
no creo que bastaría, pues no
sufre pensarse que tú me habrías
de tener amor ni affición por solo
interese; por otra parte, combate
una sospecha celosa, á la cual no
quiero dar crédito, porque
siempre cuanto á esto has estado
bien acreditada para conmigo.
Bien sé que te irás enojada con
carta tan larga, pues se leerá ya
sin gusto habiéndolo perdido de
todas las cosas que tocan á quien
la escribe, y si soy porfiado,
suplícote, señora mía, me
perdones, que lo hago con
determinación de no enojarte más
con otras, porque en esto quiero
que conozcas el deservicio que
será, teniendo en menos mi fatiga
y tormento que no darte á ti
pesadumbre con serte más
importuno; viviré los pocos días y
tristes que tuviere con aquella fe
que de mí se ha conocido y con la
voluntad y affición que siempre he
mostrado, y con el dolor y trabajo
que por galardón de todo esto has
querido darme, con el cual quedo,
y con aquel verdadero deseo de
servirte, que no se acabará en
tanto que no se acabare la vida
que tú has querido que tan
miserablemente muera en el
tiempo que viviere».
Y inviada esta carta, supe que
había venido á sus manos y no
con pequeña diligencia, que para
ello se puso, porque yo con gran
difficultad quería oir ni ver cosa
que á mí me tocasse, y viendo
que no quería responder, aunque
por otra cosa no esperé algunos
días, me vine harto desconsolado
y affligido, pero todavía con
alguna esperanza, que del todo
no me había desamparado,
porque pensaba que por ventura
Belisia lo hacía por probarme, ó
que le habían dicho de mí alguna
cosa que, sabiendo después no
ser verdadera, le haría
arrepentirse de la aspereza y
inhumanidad con que me trataba.
Y pasados algunos días, no sé si
por estorbar que yo no le diese
más importunidad con palabras ni
cartas, ó si por ventura holgó de
desesperarme del todo, me
escribió una carta breve, que más
verdaderamente se pudiera decir
sentencia de mi muerte, la cual
decía desta manera:

CARTA DE BELISIA Á TORCATO

«Tus cartas, Torcato, y tus
importunidades me son tan
enojosas que me fuerzan á
escrebirte para que de mí lo
entiendas y acabes de conocer mi
voluntad, la cual está tan diferente
de lo que solía, que lo que
estonces me agradaba es la cosa
que más agora aborrezco, y de lo
passado estoy tan arrepentida
que no puedo consolarme en
tanto que te viere determinado en
tu porfía sin provecho; si en algún
tiempo me tuviste verdadero
amor, el mío no era fingido, y con
él te pagué lo que merecías, y
como las cosas no pueden
permanecer siempre en un ser,
antes se truecan y mudan cada
hora, no te maravillarás con
mucha razón de ver que en mí
haya habido esta mudanza, para
lo cual no he tenido otra ocasión
sino parecerme que era cosa que
me convenía para tornar á cobrar
el sosiego que por tu causa he
tenido mucho tiempo perdido; lo
que te ruego es que si, como
siempre mostraste, deseas
contentarme, que olvides las
cosas passadas, echándolas
fuera de tu memoria como si
jamás no hubieran sido, y si no
pudieres hacerlo será necesario
que te hagas fuerza y que
procures de ponerte en aquella
libertad con que yo quedo, y si
todavía te acordares de algunas
dellas, podrás hacer cuenta que
pasaron en sueños sin ser
verdaderas, y assí como á cosa
de sueño las olvida, que por lo
mucho que te quise y aun agora
te quiero, te doy el consejo que
para mí he tomado, el cual
holgaría que siguieses, pues todo
lo demás será acrecentar en la
pena que publicas, sin
aprovecharte más de para
trabajar en vano y darme á mí
fatiga para que con justa razón y
causa pueda tenerme por
agraviada, ¡ay! porque esta será
la postrera mía; también estarás
cierto de que no recibiré ninguna
tuya, y así te aviso que no te
pongas en desasosegarme más
con ella, pues será perder el
tiempo y el trabajo que en ello se
pusiere. Y fuera desto, yo te
deseo el mesmo bien y alegría
que tú me deseas, con el cual
plega á Dios que, habiéndome
olvidado, tan presto te veas
cuanto yo verte, sin ninguna
memoria de mí, para mayor bien
mío y tuyo, he deseado».
Las palabras desta carta alteraron
tanto mi juicio, que á muchas
veces me hallé sin él para
desesperarme, y deseaba que la
tierra dentro de sí vivo me
sumiese ó que por otro algún
acaecimiento ó desastre se me
acabase la vida, y cierto yo me
tornara del todo loco, si la razón
que conmigo peleaba no me
venciera; pero con todo esto no
podía acabar de hallarme en
ninguna compañía que pudiese
apartarme de mi pensamiento, el
cual jamás en otra cosa se
ocupaba, y andando como habéis
visto por los montes é desiertos
deshabitados y por las montañas
más ásperas, muchas veces era
causa de que mi ganado
padeciese, y de lástima dél me
venía adonde mejores pastos
hallaba; y adonde yo más
descanso tenía era en este florido
bosque, por causa desta hermosa
fuente, en el cual dando voces y
gemidos, sin ser de ninguno
entendido mi mal, un día tendido
en el mesmo lugar donde
estamos, sobre la verde yerba
deste prado, creciendo en mí la
pasión por estar considerando el
agravio que el Amor y la mi
Belisia me hacían, dando un
profundo sospiro, que parescía
llevar consigo mis entrañas,
comencé á decir desta manera:
 EXCLAMACIÓN DE TORCATO
¿A quién enderezaré mis
clamores y gemidos, que con
alguna lástima procure
socorrerme? ¿A quién rogaré que
escuche mi doloroso llanto, para
que, oyéndolo, de mi rabioso mal
se compadezca? ¿A quién
publicaré mis rabiosas cuitas y
fatigas, para que, con
entenderlas, me procure dar
algún consuelo? Hienda mis
dolorosas voces el aire,
rompiendo las embarazosas
nubes, y pasando aquella región
del fuego, menor que el que á mí
me abrasa, preséntense en los
soberanos cielos pidiendo la
ayuda y socorro que en la tierra
me ha faltado, en la cual no hay
cosa que contra mí no se muestre
enemiga. Todas me son
contrarias. Todas me amenazan
con la muerte. Todas me la
procuran, sin que ninguna dellas
pueda dármela, por no me dar el
descanso que con ella recibiría.
¡Oh, Fortuna cruel, mudable,
ciega, mentirosa, traidora,
engañosa, sin ninguna fe,
inconstante, perversa, maliciosa y
sobre todo la mayor enemiga del
bien que los mortales tener
pueden! Porque tú mesma, que
se lo das forzada y por no poder
hacer otra cosa, después con
todas tus fuerzas procuras
quitárselo, pareciéndote que
cuanto mayor mal hicieres á los
que con algún bien tienes en
parte satisfechos, quitándoselo
muestras ser mayor poder el tuyo,
el cual jamás conocen las gentes
en la prosperidad hasta que con
mayor adversidad y tribulaciones
no están amenazados, para que
no puedan gozarla, teniendo
siempre temor de tu inconstancia
y condición sin ninguna firmeza.
Dime, tirana, perversa,
perseguidora de aquellos á quien
sientes tener algún contento,
arrepintiéndote de habérselo
dado, ¿para qué me pusiste en la
cumbre del mi deseo? ¿para qué
me favoreciste? ¿para qué me
quesiste poner ante mis ojos la
gloria que podías darme en la
vida, si con quitármela tan presto
me habías de dexar en tantas y
tan escuras tinieblas, negándome
la esperanza de poderla gozar en
ningún tiempo?
¡Oh, baxa tierra fementida, que
jamás das cosa que prometes,
jamás cumples cosa que digas,
siempre son al revés tus obras de
las señales que muestras! ¿con
qué palabras podré encarecer el
agravio que de ti recibo, pues al
tiempo que pensaba llegar á la
cumbre de tu rueda con tantas
angustias y trabajos me has
derrocado della, poniéndome en
el centro de los abismos?
¡Oh, cruel enemiga de todo mi
bien, ocasión de todo mi mal!
¿qué te han merecido las obras y
deseos de un pobre pastor para
que contra él tan poderosamente
quisieses mostrarte airada,
executando tu dañosa condición,
llena de mortal ponzoña contra
mí, persiguiéndome hasta
ponerme en el más mísero estado
de todos los nacidos? ¡Oh,
verdugo cruel de aquellos á
quien, cumpliendo sus deseos,
has hecho dichosos, porque
siempre en la mayor prosperidad
les armas los lazos de las
mayores adversidades! No quiero
maravillarme de que conmigo
hayas hecho lo mesmo, pues que,
con ser propio officio tuyo, heciste
lo que hacer sueles con todos los
mortales, y assí, dexándote para
quien eres, será bien dexarte
hacer y cumplir tu voluntad
buscando algunas fuerzas más
poderosas que las tuyas para que
de tu falso poder puedan librarme.

A la Muerte.
¡Oh, Muerte, dichosa para mí si,
oyendo mis llantos, mis sospiros y
gemidos dolorosos, quisieses
socorrerme, para hacer dichoso
con tu acelerada venida al más
desdichado y sin ventura pastor
de todos los pastores! Tú que
sola eres socorro de los afflegidos
cuerpos, tú que sueles consolar á
los que más han menester tu
consuelo, y tú que das alivio á los
que con necesidad te lo piden,
ayúdame, socórreme, no me
niegues tu favor en tiempo que la
muerte que me darías sería más
verdadera vida que la que agora,
muriendo con ella, sostiene este
miserable cuerpo cercado de
tantas angustias y tribulaciones;
usa agora conmigo de aquella
piedad que sueles tener de los
que con necesidad te llaman;
respóndeme, pues que te llamo;
recíbeme en tu compañía, pues
que te busco; no me niegues lo
que te pido, ni dexes de executar
en mí tu officio, pues yo tan de
veras lo quiero y lo desseo; no
seas contra mí tan cruel como la
Fortuna lo ha sido, porque la
herida de la flecha de tu arco
poderoso no me dará dolor, ni yo
huiré mi cuerpo para recibirla,
antes con muy gran
contentamiento estaré
esperándola, conosciendo el bien
que con ella rescibo. Más
agradable me será la sepoltura
que me dieres que los verdes
campos y prados y las deleitosas
florestas en que la Fortuna tan
contra mi voluntad me trae; tú
sola serás mi descanso y mi
reposo, y contigo fenecerán todas
mis penas, mis ansias y mis
trabajos. ¿Para qué tardas tanto?
¿cómo no vienes? ¿cómo no me
socorres? ¡También me quexaré
de ti! ¡También publicaré que me
haces agravio! Mira que es
crueldad la que conmigo usas, y
tanto será mayor cuanto más te
detuvieres en hacer lo que te
ruego, que ya el cuerpo querría
verse sin la compañía de mi alma
y el alma anda huyendo de la de
mi cuerpo y no espera sino tu
voluntad y tu mandamiento. No
dilates más tu venida, para quien
con tanto desseo y con tan gran
agonía la está esperando para
alivio de sus rabiosos tormentos y
passiones.

Al Tiempo.
Y tú, Tiempo, que con tu ligero
movimiento se hacen y deshacen
todas las cosas, poniendo las alas
que en ti tienen principio, ¿por
qué me haces agravio en no
poner fin á la terrible pasión y á
las rabiosas cuitas que contigo
me cercaron? ¿por qué te
muestras tan largo con ellas?
Abrevia tu veloz corrida, haciendo
conmigo la mudanza que sueles,
pues el más verdadero officio que
tienes es no dexar cosa ninguna
estar mucho tiempo en un ser, y
assí como para mi mal tan presto
te mudaste, haciéndote de bueno
malo, de alegre triste, de dichoso
desaventurado, podrías si
quisieses convertir al contrario tus
obras, para que yo no pudiese
con tanta razón mostrar el agravio
que de ti tengo por el daño que de
ti rescibo, siendo el mayor de
todos cuantos hacerme pudieras.
¡Oh, Tiempo, que un tiempo para
mí fuiste dulce, alegre, sereno y
claro, el más apacible y lleno de
deleites de cuantos tiempos por
mí, no por otro ninguno, han
passado! ¿por qué te has tornado
tan presto triste y amargo y tan
escuro que mis ojos no pueden
ver ni mirar si no son tinieblas
más escuras y espantables que
las de la mesma muerte? ¡Oh,
tiempo bueno, que por mí como
sombra pasaste, no dexando más
de la memoria para mayor
tribulación del que en ti piensa
continuamente! ¿cómo te trocaste
en malo y tan malo que ninguno
para este desventurado pastor á
quien has dexado tan sin
esperanza puede haber en el
mundo que peor sea?

A Belisia.
Y tú, vida de la vida que conmigo
contra mi voluntad vive, ¿qué
razón podrás dar de ti que pueda
excusarte de la más ingrata,
inhumana, cruel y despiadada
pastora de todas las nacidas?
Mira que el amor verdadero con
otro amor se paga, y tú con un
extraño y fiero desamor quieres
que yo quede pagado de lo
mucho que te quise y quiero, y de
lo que he padecido y padezco por
tu causa. ¿Es este el galardón de
mi rabiosa pena, la lástima que
mostrabas de mis angustias, la
affición con que mostrabas dolerte
mis lágrimas? ¡Oh, Belisia,
Belisia! escucha mis versos y
entiende lo que por ellos te digo,
para que tú mesma te conozcas y
sientas la razón que yo tengo
para sentir mi agravio de tu
crueldad, que por ello quiero
publicar lo que contra mí haces,
para que otros se guarden de no
caer en el pozo de desventuras
en que por tu causa estoy metido.
Escucha, Belisia, que mi voz,
triste como de cisne que con ella
solemniza su muerte, ayudada
con las cuerdas de mi rabel, que
otras veces en versos que loaban
tu beldad, gracias y hermosura se
empleaban, dirán agora lo que de
ti y tus condiciones he conocido,
las cuales has descubierto contra
un pobre pastor que, atado de
pies y de manos, y, lo que peor
es, ciega la voluntad y libertad,
flacas fuerzas halla en sí para
poderlas resistir.

Las Furias infernales

temorosas,
que al son de mis querellas
han venido,
de mi mal espantable muy
medrosas
al centro del abismo se han
huido;
las Parcas, que al vivir son
enojosas,
de acortarme tal vida se han
tenido;
tú sola me procuras mal
eterno,
más que rabiosa Furia del
infierno.
Los ángeles que fueron
condenados
y en diablos espantables
convertidos,
de mi rabioso mal muy
espantados,
escuchan mis clamores y
gemidos,
paréceles ser poco
atormentados
mirando mis tormentos tan
crecidos,
y tú, cruel más que leona fiera,
no quieres contentarte sin que
muera.
 Ninguno por justicia
condenado
que tenga ya la soga á la
garganta,
con esperar la muerte
fatigado,
jamás se viera estar con pena
tanta;
tu ingratitud me tiene en tal
estado
que cosa más del mundo no
me espanta,
pues te precias y quieres dar
la muerte
á quien no quiere vida sin
quererte.
Los tigres y leones muy
furiosos,
los osos y las onzas muy
ligeras,
los lobos muy crueles y
rabiosos,
las bestias que se cuentan por
más fieras,
siendo animales brutos muy
medrosos
de mí se van huyendo muy de
veras;
tú sola, que mi sangre estás
bebiendo,
de mi rabioso mal te estás
reyendo.
¿Qué víbora ó serpiente
ponzoñosa,
qué basilisco fiero ó qué
dragón,
qué áspide cruel muy
 enconosa,
qué bravo cocodrilo y sin
razón
podrán tener tu condición
dañosa
ni tu duro y sangriento
corazón?
¡Oh, corazón cruel, áspero y
fuerte,
que lo que más te aplace es
dar la muerte!
¿Qué corazón de acero ó de
diamante
puede ser que no ablande mi
fatiga?
Y tú, en tu crueldad firme y
constante,
con más rabia te muestras mi
enemiga.
No hay nadie que lo sepa á
quien no espante,
que no conozca y sienta y que
no diga
que tu desamor fiero assí te
agrada
como á sangrienta loba
encarnizada.

Acabando de cantar estos versos,

con la ayuda que mis lágrimas
hacían para solemnizarlos y con
la fatiga que mi espíritu padecía
pensando en las cosas que por
mí pasaban, de cansado venció á
mis ojos un pesado sueño que sin
poder resistirlo dexó todos mis
miembros sepultados en el olvido
que consigo traer suele; sola mi
memoria estaba velando, y de tal
manera me representaba
durmiendo las cosas pasadas
como si presentes las tuviera;
pero descuidándose un poco,
venció la imaginación, la cual en
sueños me puso delante lo que
agora contaros quiero, que más
verdaderamente me pareció
haberlo visto pasando por mí
derecho que no haberlo soñado ni
que fingidamente se me
representasse.

PARTE SEGUNDA
CUENTA TORCATO EL SUEÑO

Parecíame que lo que en la

fantasía se me representaba mis
ojos lo vían palpablemente, y que
sin saber de qué manera ni por
quién era llevado, en muy breve
tiempo caminaba muy grande
espacio y cantidad de tierra,
discurriendo por diversas
provincias y regiones con una
velocidad tan arrebatada que mis
pies apenas tocaban la pesada
tierra, y habiendo hecho fin á mi
tan larga jornada con algún
cansancio del trabajoso camino,
me hallé en un muy verde y
florido prado, con tanta diversidad
de hermosas flores y rosas, que
con diversos colores al suelo
matizaban, dando de sí un olor
muy perfecto y suave, del cual mi
fatigado cuerpo era recrecido que
del todo me sentí vuelto en mis
corporales fuerzas, y echando los
ojos alrededor de donde estaba,
vi cosas que me pusieron tan
grande espanto y admiración, que
aun agora en volverlas á mi
memoria para contarlas me
espantan y tienen confuso,
pareciéndome que apenas sabré
decirlas. Era este hermoso y
aplacible prado todo alrededor
cercado de unas florestas muy
espesas y deleitosas en los ojos
que las miraban, porque demás
de ser los árboles muy altos,
verdes y floridos, y todos puestos
con muy gran orden y concierto,
estaban cargados de muchas y
diversas frutas maduras, y en tan
gran perfición, que sólo en verlas
ponía gran deleite y
contentamiento á mis ojos que las
miraban, viendo que las hojas con
un manso y amoroso viento se
andaban meneando á una parte y
á otra, haciendo un sordo ruido
agradable á mis oídos, y sus
sombras, con que la fuerza de la
calor del sol hurtaban, me ponían
en agonía de gozarlas cuando
con mi ganado á sestear me
venía; andaban por ellas muy
gran cantidad de diversos
animales bravos y mansos,
envueltos los unos con los otros,
sin hacerse daño ninguno.
Y en las cimas de los árboles
estaban sentados grande
abundancia de aves y páxaros de
diversos colores y raleas, grandes
y pequeños, los cuales con sus
arpadas y differentes lenguas
cantando hacían una música y
armonía tan acordada que yo
jamás quisiera dexar de oirla si
permitido me fuera; y después
revolando todos por el aire,
trocando sus lugares, tornaban
como de principio á proseguir en
la suavidad de su canto.
Estaban estas florestas cercadas
de una muy alta montaña, que por
todas partes igualmente parecía
levantarse, llevando por sí
tendidos en gran cantidad los
montes y florestas, hasta que en
el remate della se hacía un muro
tan alto, que parecían comunicar
con las nubes las almenas que
con muy gran orden y concierto
estaban edificadas. Era este muro
triangulado, y de un ángulo á otro
de diferentes colores; porque la
una parte estaba hecha de unas
piedras coloradas, que en la
fineza parecía ser muy
verdaderos rubís; en medio desta