Download

ThermoML is an Extensible Markup Language (XML)-based new IUPAC standard for storage and exchange of experimental, predicted, and critically evaluated thermophysical and thermochemical property data. The basic principles, scope, and description of all structural elements of ThermoML are discussed.
ThermoML covers essentially all thermodynamic and transport property data (more than 120 properties) for pure compounds, multicomponent mixtures, and chemical reactions (including change-of-state and equilibrium reactions).
Representations of all quantities related to the expression of uncertainty in ThermoML conform to the Guide to the Expression of Uncertainty in Measurement (GUM). The ThermoML Equation schema for representation of fitted equations with ThermoML is also described and provided as supporting information together with specific formulations for several equations commonly used in the representation of thermodynamic and thermophysical properties. The role of ThermoML in global data communication processes is discussed. The text of a variety of data files (use cases) illustrating the ThermoML format for pure compounds, mixtures, and chemical reactions, as well as the complete ThermoML schema text, are provided as supporting information.

Pure & Appl. Chem., Vol. 78, No. 3, p. 541–612, 2006
IUPAC Recommendations
© 2006 IUPAC
IUPAC permission is acknowledged

Abstract

Writing is a skill needed by people in general and particularly those who study or develop academic activities.

To write clearly a logical organization of thought is needed. It is possible to conclude clearly and understandably that without thinking logically it is not possible to write. This means that teaching writing is tantamount to teaching thinking, a clearly impossible task. However, to suggest techniques or practices that encourage the development of the writing process is difficult but not impossible.

The writing of a good text requires much thought about the words. You have to capture them, choose them properly, control them in order to put them into sentences and paragraphs, as if resolving some kind of puzzle.

To achieve this goal, this guide aims to study and discuss the steps to be followed in the preparation of a text by examining its constituent parts, the construction of paragraphs, the phrasal structures, the use of appropriate vocabulary, as well as the solution to grammatical errors and the improper use of vocabulary in commons academic writings.

The emphasis of this book, therefore, is focussed on the writing of academic papers and, consequently, the language style of required for this type of communication.

Author
Maria Margarida de Andrade

Abstract

fundamentos-de-cromatografiaThis book contains basic information, theoretical and practical, on chromatographic procedures, techniques that have wide application in chemistry and biochemistry, research and industry. It is aimed at undergraduate and postgraduate students as an introductory book to chromatographic separation techniques. It can also serve researchers who need to use one of the different modalities of cromathography.

This is a revised and updated edition of the book Introduction to Chromatographic Methods, with the inclusion of new techniques, procedures, materials and applications, but with the same goal of presenting basic information about the various forms of chromatography.

Authors
Carol H. Collins
Gilberto L. Braga
Pierina S. Bonato

Abstract

Besides conceptual and quantitative aspects, studies in chemistry should involve experiments with a demanding high level of care and attention in the use of experimental techniques. Considering these aspects, the determination of the molar mass of a metal, through the volume of gas released by its reaction with an acid, is an ideal experiment to achieve these purposes. This work addresses important concepts such as the “molar mass” and the “standard electrode potential”, through accurate results obtained by using simple experimental techniques such as weighing, measuring volumes and the preparation of solutions. The first didactic experiment used to discuss and contextualize these concepts in a single experiment was published in 1937 in the Journal of Chemical Education, although the reaction of magnesium with different acids had already been discussed (in terms of the Bronsted-Lowry’s acids theory) in 1931, in this same journal. Some highlighted words in the text are listed in the Glossary of Terms, Definitions and biographies, annexed to the main text.

Keywords
reaction of metal with acid, stoichiometry, law of ideal gases, determination of molar mass, standard electrode potential, weighing, volume measurement, preparation of solutions

Authors
Janaína César
João Carlos de Andrade
Universidade Estadual de Campinas, Instituto de Química

Translated by
João C. de Andrade

Revised by
Carol H. Collins

Warning

advertencia Attention: “Read carefully the procedure before starting the experiment. Do not perform the experiment without being monitored by your teacher. In doubt ask for help!”

Abstract

The method of response surface analysis is employed to optimize the catalytic response of the Mo (VI) in the oxidation reaction of iodide ions by hydrogen peroxide, using the fixed time method. The absorbances of the non-catalytic reaction and the catalytic action of Mo (VI), the delta, were modeled. This was done in detail to illustrate the importance of careful result evaluation, which is not always emphasized due to the necessary mathematical rigor and the difficulty of users of multivariate techniques in dealing with this language. The example presented in this text shows that only the analysis of variance (ANOVA) is not a sufficient criterion for the selection of a model that can describe a particular set of data, being essential the analysis of the graph of residuals, keeping a critical view of the results. The twenty-four trials of the factorial design originally employed in the modeling (twelve in the absence and twelve in the presence of molybdenum), and subsequently extended to a star design (eight trials), can be performed in a experimental discipline within 4 to 6 hours, allowing its inclusion in an experimental course at the undergraduate level to introduce the use of multivariate optimization. The use of a procedure for extraction of iodine generated in situ can also “freeze” the catalytic reaction in a pre-determined reaction time, allowing the realization of a large number of experiments efficiently by means a batch process, making it possible to obtain the necessary data for the construction of mathematical models.

Keywords
response surfaces, analysis of variance, ANOVA, multivariate optimization, graph of residuals, experimental design, modeling

Authors
Aline Renée Coscione
Audrey de Arruda Falcão
João Carlos de Andrade
Universidade Estadual de Campinas, Instituto de Química

Translated by
João C. de Andrade

Revised by
Carol H. Collins

Abstract

Here, some of the most typical concepts of thermodynamics, namely heat, internal energy, entropy and temperature are used for complementary understanding of the concepts of the enthalpy and energy of Helmholtz and Gibbs. The entropy concept has already been presented by this author, along with some of the concepts of temperature and the energies of Helmholtz and Gibbs.  For these last three, other aspects are considered in this text. But the idea of temperature is still insufficient, even considering the previous text and this approach as well. Furthermore, the first four typical concepts mentioned are also applied in the understanding of the first law of thermodynamics and of the Clausius inequality. The ideas of rigid body and of system continuity are used in accordance with the mathematical precision which characterizes the temporal thermodynamics of continuous media, which includes the thermodynamics of homogeneous media used here. The vision of the first law, which emerges from this text, is more complete than the traditional. The greatest interest, however, is the interpretation of the inequality of Clausius, which is much more consistent and secure than the traditional interpretations.

Keywords
laws of thermodynamics, Clausius inequality, internal energy, entropy, enthalpy, Helmholtz and Gibbs energies, temperature, heat, work, energy, rigid body

Author
Adalberto B. M. S. Bassi
Universidade Estadual de Campinas, Instituto de Química

Translated by
João C. de Andrade

Revised by
Carol H. Collins

Abstract

This work presents a discussion about the characteristics of supercritical fluid extraction, its operational conditions, a comparison with other extraction techniques and analytical applications of this technique. The text shows that a supercritical fluid can be obtained with different substances if they are above their critical point, the critical temperature and critical pressure, which can be viewed as a phase diagram. Among the most used supercritical fluids is carbon dioxide due to its low critical parameters, and because it is not toxic, not flammable and inert. Also, in addition to being gaseous at room temperature, it is highly accessible, easily obtainable with a high degree of purity at low cost and it can still be modified by the addition of organic solvents. The extraction operation with a supercritical fluid also permits on-line couplings and the recovery of the solvent used. The parameters governing SFE are discussed, particularly pressure, temperature, the nature of the matrix and the polarity of the extractor fluid. Some points of comparison show that extraction with a supercritical fluid is an attractive technique to be applied in the preparation of solid samples, since it has advantages compared to other alternative sample preparation techniques (Soxhlet, ultrasound, accelerated solvent extraction, among others). Among those are the speed of the extraction process, its low cost per extraction, the reduced consumption of organic solvents, fewer handling procedures, good precision and accuracy, versatility, good recovery and ease of automation. This text also presents some applications of SFE, which are many and varied, including environmental samples (soil, water, air, sediment and suspensions), food (fruits, vegetables, cereals, animal tissues, etc), natural products (essential oils, flavorings, etc), drugs (drugs of abuse, hormones, etc) and polymers.

Keywords
extraction, supercritical fluid, Analytical Chemistry, fluid extractor, chromatography

Autores
Glaucia M. F. Pinto
Pontifícia Universidade Católica de Campinas, Faculdade de Química
Jefferson F. Pinto
Protimu Ltda
Isabel C. S. F. Jardim
Universidade Estadual de Campinas, Instituto de Química

Translated by
João C. de Andrade

Revised by
Carol H. Collins





Facebook