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Computer Aided Chemical Thermodynamics of Gases and Liquids
COMPUTER METHODS NORTH-HOLLAND
IN APPLIED
MECHANICS
AND ENGINEERING
60 (1987) 371-372
BOOK REVIEW
Computer Aided Chemical Thermodynamics of Gases and Liquids, P. Benedek (Wiley, Chichester, U.K., 1986) 581.25, ISBN 0 471 87825 1.
and F. Olti
The reader who expects a computer-oriented review of chemical thermodynamics with an emphasis on numerical techniques will actually discover a modern, computer aided treatise on the foundations of chemical thermodynamics of gases and liquids. The text commences with an introduction to the concept of internal energy by considering classical and quantum mechanics of particles constituting a body. Pressure and temperature are introduced as characteristic variables of continua and are related to the volume by empirical equations of state. Subsequently, the first law of thermodynamics is interpreted without the notion of heat, declaring the internal energy as a variable of state, while entropy and the second law are introduced when considering thermodyn~ic equilibrium. Thermodynamic potential functions are defined for a suitable fo~ulation of various constrained equilibria. The above account of classical thermodynamics is supplemented by elements of statistical thermodynamics aiming at relations yielding macroscopic thermodynamical properties of substances when their molecular properties are known. In this context also the third law, dealing with the entropy at absolute zero temperature, is stated. After this precursory work the reader is guided to the computation of the en~~py with the aid of data bases stored in the computer and of other thermodynamic properties of one-component homogeneous phases. The remainder of the book is devoted to the case when more than one constituent is present in the substance. The treatment of mixtures occupies a main part of this text. It begins with approaches to ideal mixtures and is completed by the thermodynamics of real mixtures. Associated excess properties are introduced and related to particular molecular structures. A consideration of multiphase equilibrium is placed at the end of this section. Subsequently, attention is focused on the equilibrium of chemical reactions and this matter concludes the book. In addition to a number of particular computer programs listed within the text, thermodynamic properties for 232 chemical substances are tabulated in an appendix. Complier aided c~e~icul t~er~odynu~ic~ of gases and ~i4~~ appears to be noncustomary in several respects. Simple programs conceived for personal computers complement the theoretical text and replace the classical illustration of the theory via diagrams and exercises. As a consequence, an interpretation of the material necessitates the run of the programs on the computer. This procesure, however, considerably supports the reader in verifying the theory within a wide range of applications. Equations are not numbered in the text but repeated when necessary. Obviously, this practice does not contribute to the conciseness of the book and in addition leads to a disconnection from the underlying theory. Also remarkable is the complete absence of references to the pertinent literature in this book. 00457825/87/$3.50
@ 1987, Elsevier Science Publishers B.V. (North-Holland)
372
Book
Review
@de from a few criticisms, the text is interesting and useful. Tribute should be paid to both the authors and the publishers for their efforts in this novel approach to the presentation of chemical thermodynamics. J. St. Doltsinis I. C. A., University of Stuttgart
IN APPLIED
MECHANICS
AND ENGINEERING
60 (1987) 371-372
BOOK REVIEW
Computer Aided Chemical Thermodynamics of Gases and Liquids, P. Benedek (Wiley, Chichester, U.K., 1986) 581.25, ISBN 0 471 87825 1.
and F. Olti
The reader who expects a computer-oriented review of chemical thermodynamics with an emphasis on numerical techniques will actually discover a modern, computer aided treatise on the foundations of chemical thermodynamics of gases and liquids. The text commences with an introduction to the concept of internal energy by considering classical and quantum mechanics of particles constituting a body. Pressure and temperature are introduced as characteristic variables of continua and are related to the volume by empirical equations of state. Subsequently, the first law of thermodynamics is interpreted without the notion of heat, declaring the internal energy as a variable of state, while entropy and the second law are introduced when considering thermodyn~ic equilibrium. Thermodynamic potential functions are defined for a suitable fo~ulation of various constrained equilibria. The above account of classical thermodynamics is supplemented by elements of statistical thermodynamics aiming at relations yielding macroscopic thermodynamical properties of substances when their molecular properties are known. In this context also the third law, dealing with the entropy at absolute zero temperature, is stated. After this precursory work the reader is guided to the computation of the en~~py with the aid of data bases stored in the computer and of other thermodynamic properties of one-component homogeneous phases. The remainder of the book is devoted to the case when more than one constituent is present in the substance. The treatment of mixtures occupies a main part of this text. It begins with approaches to ideal mixtures and is completed by the thermodynamics of real mixtures. Associated excess properties are introduced and related to particular molecular structures. A consideration of multiphase equilibrium is placed at the end of this section. Subsequently, attention is focused on the equilibrium of chemical reactions and this matter concludes the book. In addition to a number of particular computer programs listed within the text, thermodynamic properties for 232 chemical substances are tabulated in an appendix. Complier aided c~e~icul t~er~odynu~ic~ of gases and ~i4~~ appears to be noncustomary in several respects. Simple programs conceived for personal computers complement the theoretical text and replace the classical illustration of the theory via diagrams and exercises. As a consequence, an interpretation of the material necessitates the run of the programs on the computer. This procesure, however, considerably supports the reader in verifying the theory within a wide range of applications. Equations are not numbered in the text but repeated when necessary. Obviously, this practice does not contribute to the conciseness of the book and in addition leads to a disconnection from the underlying theory. Also remarkable is the complete absence of references to the pertinent literature in this book. 00457825/87/$3.50
@ 1987, Elsevier Science Publishers B.V. (North-Holland)
372
Book
Review
@de from a few criticisms, the text is interesting and useful. Tribute should be paid to both the authors and the publishers for their efforts in this novel approach to the presentation of chemical thermodynamics. J. St. Doltsinis I. C. A., University of Stuttgart