Physical Chemistry Book For Bs

[Paz Warsager]

Physicalchemistry is the study of macroscopic and microscopic phenomena in chemical systems in terms of the principles, practices, and concepts of physics such as motion, energy, force, time, thermodynamics, quantum chemistry, statistical mechanics, analytical dynamics and chemical equilibria.

Physical chemistry, in contrast to chemical physics, is predominantly (but not always) a supra-molecular science, as the majority of the principles on which it was founded relate to the bulk rather than the molecular or atomic structure alone (for example, chemical equilibrium and colloids).

One of the key concepts in classical chemistry is that all chemical compounds can be described as groups of atoms bonded together and chemical reactions can be described as the making and breaking of those bonds. Predicting the properties of chemical compounds from a description of atoms and how they bond is one of the major goals of physical chemistry. To describe the atoms and bonds precisely, it is necessary to know both where the nuclei of the atoms are, and how electrons are distributed around them.[2]

Quantum chemistry, a subfield of physical chemistry especially concerned with the application of quantum mechanics to chemical problems, provides tools to determine how strong and what shape bonds are,[2] how nuclei move, and how light can be absorbed or emitted by a chemical compound.[3] Spectroscopy is the related sub-discipline of physical chemistry which is specifically concerned with the interaction of electromagnetic radiation with matter.

Another set of important questions in chemistry concerns what kind of reactions can happen spontaneously and which properties are possible for a given chemical mixture. This is studied in chemical thermodynamics, which sets limits on quantities like how far a reaction can proceed, or how much energy can be converted into work in an internal combustion engine, and which provides links between properties like the thermal expansion coefficient and rate of change of entropy with pressure for a gas or a liquid.[4] It can frequently be used to assess whether a reactor or engine design is feasible, or to check the validity of experimental data. To a limited extent, quasi-equilibrium and non-equilibrium thermodynamics can describe irreversible changes.[5] However, classical thermodynamics is mostly concerned with systems in equilibrium and reversible changes and not what actually does happen, or how fast, away from equilibrium.

Which reactions do occur and how fast is the subject of chemical kinetics, another branch of physical chemistry. A key idea in chemical kinetics is that for reactants to react and form products, most chemical species must go through transition states which are higher in energy than either the reactants or the products and serve as a barrier to reaction.[6] In general, the higher the barrier, the slower the reaction. A second is that most chemical reactions occur as a sequence of elementary reactions,[7] each with its own transition state. Key questions in kinetics include how the rate of reaction depends on temperature and on the concentrations of reactants and catalysts in the reaction mixture, as well as how catalysts and reaction conditions can be engineered to optimize the reaction rate.

The fact that how fast reactions occur can often be specified with just a few concentrations and a temperature, instead of needing to know all the positions and speeds of every molecule in a mixture, is a special case of another key concept in physical chemistry, which is that to the extent an engineer needs to know, everything going on in a mixture of very large numbers (perhaps of the order of the Avogadro constant, 6 x 1023) of particles can often be described by just a few variables like pressure, temperature, and concentration. The precise reasons for this are described in statistical mechanics,[8] a specialty within physical chemistry which is also shared with physics. Statistical mechanics also provides ways to predict the properties we see in everyday life from molecular properties without relying on empirical correlations based on chemical similarities.[5]

Modern physical chemistry originated in the 1860s to 1880s with work on chemical thermodynamics, electrolytes in solutions, chemical kinetics and other subjects. One milestone was the publication in 1876 by Josiah Willard Gibbs of his paper, On the Equilibrium of Heterogeneous Substances. This paper introduced several of the cornerstones of physical chemistry, such as Gibbs energy, chemical potentials, and Gibbs' phase rule.[10]

The first scientific journal specifically in the field of physical chemistry was the German journal, Zeitschrift fr Physikalische Chemie, founded in 1887 by Wilhelm Ostwald and Jacobus Henricus van 't Hoff. Together with Svante August Arrhenius,[11] these were the leading figures in physical chemistry in the late 19th century and early 20th century. All three were awarded the Nobel Prize in Chemistry between 1901 and 1909.

Developments in the following decades include the application of statistical mechanics to chemical systems and work on colloids and surface chemistry, where Irving Langmuir made many contributions. Another important step was the development of quantum mechanics into quantum chemistry from the 1930s, where Linus Pauling was one of the leading names. Theoretical developments have gone hand in hand with developments in experimental methods, where the use of different forms of spectroscopy, such as infrared spectroscopy, microwave spectroscopy, electron paramagnetic resonance and nuclear magnetic resonance spectroscopy, is probably the most important 20th century development.

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions.

The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Section headings, lengthy introductions and discussion, extensive data, and excessive experimental details should not be included. Figures and tables should be essential to understanding the paper. The experimental evidence necessary to support a Communication should be supplied for the referees and eventual publication as supplementary information (SI).

Full papers contain original scientific work that has not been published previously. They must demonstrate significant new insight into physical chemistry; this is the prime criterion that reviewers and the Editors will judge against when evaluating submissions.

Full papers based on Communications are encouraged provided that they represent a substantial extension of the original material. There are no restrictions on the length of a paper. Authors should include a brief discussion in the Introduction that sets the context for the new work and gives their motivation for carrying out the study.

Concise and critical reviews of important or emerging topics in physical chemistry, chemical physics and biophysical chemistry. Reviews should be easy to read and cover current areas of interest, rather than comprehensive reviews of the literature, and may include a limited amount of unpublished research.

Tutorial reviews provide an essential introduction to a particular area of physical chemistry, chemical physics or biophysical chemistry. The article should have particular appeal to early career researchers, as well as established researchers seeking new fields to explore. Tutorial reviews may include a limited amount of unpublished research.

Perspectives are high profile articles that present an authoritative state-of-the-art account of the selected research field. PCCP Perspectives take a wide variety of forms including personal accounts of research and critical analyses of topics of current interest.

Perspective articles should provide critical evaluation, placing any personal work in the context of the wider literature. Simple literature surveys will not be accepted for publication. Some new unpublished research may be included.

There are no strict length requirements, but as a general guide Perspectives and Reviews are typically between 6 - 20 pages in length, whilst some Tutorial Reviews are more in-depth. Shorter Perspective articles of 3 - 4 journal pages highlighting a topical area or important new development in an established field will also be considered.

Perspectives, Reviews and Tutorial Reviews are commissioned by the PCCP Editorial Board and Editorial Office and we welcome suggestions of topics and authors. We also welcome direct submissions. Enquiries regarding the submission of these article types should be directed to the Editor.

For publication, a Comment should present an alternative analysis of and/or new insight into the previously published material. Any Reply should further the discussion presented in the original article and the Comment. Comments and Replies that contain any form of personal attack are not suitable for publication.

To help authors publish their research with us we host our PCCP LaTeX template in the Overleaf authoring tool. Overleaf simplifies LaTeX authorship by enabling collaborators to easily prepare and edit their manuscripts with real-time format previewing, simple document sharing and collaboration, and user support and LaTeX help.

3a8082e126