Fysisk kemi

Bogens emner er grundlaget for termodynamikken, kemiske reaktioner i ligevægt, fasediagrammer og elektrokemi. Begrebet affinitet er tillagt en central rolle gennem hele fremstillingen. Bogen giver en mere dybtgående indføring til faget end det gængse undervisningsmateriale.

Combustion Synthesis: Processing and Materials provides a comprehensive introduction to combustion synthesis, from fundamentals to applications. The book offers an up¿tödate reference for both researchers who have already been working on combustion synthesis and those entering this field. Focusing specifically on the materials science and engineering dimensions of combustion synthesis, the book thoroughly explores the most important processes and materials under investigation today. It offers a comprehensive overview of the field to beginners, while experienced readers will find detailed explanations and up¿tödate descriptions of the state of the art of combustion synthesis, focused on a range of vital processes and materials.

This volume commemorates the scientific contributions of Detlef Dürr (1951¿2021) to foundational questions of physics. It presents new contributions from his former students, collaborators, and colleagues about their current research on topics inspired or influenced by Dürr. These topics are drawn from physics, mathematics, and philosophy of nature, and concern interpretations of quantum theory, new developments of Bohmian mechanics, the role of typicality, quantum physics in relativistic space-time, classical and quantum electrodynamics, and statistical mechanics. The volume thus also gives a snapshot of present research in the foundations of physics.

Wave Optics in Infrared Spectroscopy starts where conventional books about infrared spectroscopy end. Whereas the latter are based on the Bouguer-Beer-Lambert law, the cornerstones of this book are wave optics and dispersion theory. This gap between both levels of theory is bridged to allow a seamless transition from one to the other. Based on these foundations, the reader is able to choose which level of theory is adequate for the particular problem at hand. Advanced topics like 2D correlation analysis, chemometrics and strong coupling are introduced and viewed from a wave optics perspective. Spectral mixing rules are also considered to better understand spectra of heterogeneous samples. Finally, optical anisotropy is examined to allow a better understanding of spectral features due to orientation and orientational averaging. This discussion is based on a 4 x 4 matrix formalism, which is used not only to simulate and analyze complex materials, but also to understand vibrational circular dichroism from a (semi-) classical point of view. Wave Optics in Infrared Spectroscopy is written as a tool to reunite the fragmented field of infrared spectroscopy. It will appeal to chemists, physicists, and chemical/optical engineers.

This textbook is intended for undergraduate and graduate students pursuing courses in chemistry and allied fields. It includes fundamental concepts, equations involved in organic reactions, chemical bonds (ionic and covalent bonds), hybridization, representation of a chemical reaction and mechanism of organic reactions. The book also discusses the displacement of bonding electrons involving inductive effect, electromeric effect, mesomeric effect, hyperconjugative effect and resonance. A number of organic reactions involving formation of intermediates such as carbocations, carbanions, free radicals, carbenes, nitrenes and benzynes have also been included. It also discusses different types of reagents involved in a chemical reactions along with types of additional reactions and its detailed mechanism. The book also includes the use of pedagogical elements such as multiple choice questions and end of chapter exercises to aid self-learning among students

This brief offers an introduction to the fascinating new field of quantitative read-across structure-activity relationships (q-RASAR) as a cheminformatics modeling approach in the background of quantitative structure-activity relationships (QSAR) and read-across (RA) as data gap-filling methods. It discusses the genesis and model development of q-RASAR models demonstrating practical examples. It also showcases successful case studies on the application of q-RASAR modeling in medicinal chemistry, predictive toxicology, and materials sciences. The book also includes the tools used for q-RASAR model development for new users. It is a valuable resource for researchers and students interested in grasping the development algorithm of q-RASAR models and their application within specific research domains.

In collisions of relativistic heavy ions, specific circumstances (energy density, temperature, and pressure) allow for the emergence of a matter that is similar to the one that filled the universe in the first few microseconds. At present, this matter is called the strongly interacting quark-gluon plasma (sQGP), and since it becomes locally thermalized quite early, equations of hydro- and thermodynamics can be utilized to describe its time evolution. Hydrodynamics is a theory that has no internal scale; hence, it can be applied to systems of vastly different sizes, and sQGP is one of them. Analytic solutions utilizing the speed of sound and transport properties shed light on special connections between the final and initial state properties of this matter. Zimányi and his collaborators were among the pioneers of this sub-field, and hence, it is one of the main topics of the annual Zimányi School Winter Workshops. In this reprint, we include papers that address the analytic aspects of hydrodynamics and utilize them to describe sQGP. Furthermore, we include papers that were presented at the Zimányi School 2018 on topics such as effective theories, diffraction, femtoscopy, heavy flavor physics, jets, lattice QCD, the search for the QCD critical point, or vorticity in heavy-ion collisions.

Therapeutic macromolecules and biologics have gained increasing importance in the last decade. Pulmonary and intranasal delivery of these therapeutic modalities, which have poor oral bioavailability, could constitute an attractive, non-invasive alternative to parenteral delivery. They can be considered for either topical use for treating diseases affecting the airways or for systemic use for treating a variety of other diseases. Therefore, this book is a readable, thoughtful, and useful guide on the latest research developments and the best options that people involved with pulmonary and intranasal route of administration and biologically active agents can bring to their practices. Furthermore, it explores the underlying scientific rationale for the strategies applied to overcome drug delivery challenges and provides insights to inspire further research in this growing area.

This book explores recent progress in RNA secondary, tertiary structure prediction, and its application from an expansive point of view. Because of advancements in experimental protocols and devices, the integration of new types of data as well as new analysis techniques is necessary, and this volume discusses additional topics that are closely related to RNA structure prediction, such as the detection of structure-disrupting mutations, high-throughput structure analysis, and 3D structure design. Written for the highly successful Methods in Molecular Biology series, chapters feature the kind of detailed implementation advice that leads to quality research results. Authoritative and practical, RNA Structure Prediction serves as a valuable guide for both experimental and computational RNA researchers.

Il volume tratta i seguenti argomenti: forza e campo elettrostatico, lavoro elettrico, potenziale elettrostatico, dipolo elettrico, legge Gauss, conduttori in equilibrio elettrostatico, condensatori ed energia del campo statico, condensatori e dielettrici, corrente elettrica, circuiti in corrente continua, campo e forza magnetica, forza di Lorentz e II legge di Laplace, sorgenti del campo magnetico, legge di Ampere, legge di Farady Neumann Lenz, equazioni di Maxwell.

Il volume tratta i seguenti argomenti: grandezze fisiche, cinematica, dinamica, lavoro ed energia, meccanica dei fluidi.

Il volume tratta i seguenti argomenti: ottiche geometriche e onde meccaniche con esercizi.

This book provides a comprehensive overview of Nuclear Magnetic Resonance (NMR) theory, its applications, and advanced techniques to improve the quality and speed of NMR data acquisition. In this book, the author expands his outstanding Ph.D. thesis and provides a valuable resource for researchers, professionals, and students in the field of NMR spectroscopy.The book covers quantum mechanics basics, and topics like density operators, pulse sequences, 1D pulse acquisition, INEPT (Insensitive nuclei enhancement by polarization transfer), product operators, and 2D NMR principles. It also explores innovative experiments like States HSQC (Heteronuclear Single Quantum Coherence) and echo-antiecho HSQC with gradients.In the subsequent chapters, the author discusses Pure Shift NMR, including PSYCHE (Pure Shift Yielded by Chirp Excitation) and its optimizations, such as waveform parameterization and time-reversal methods. The 'Discrete PSYCHE' approach and Ultrafast PSYCHE-iDOSY (Diffusion-ordered spectroscopy) are also highlighted.This book presents the POISE (Parameter Optimisation by Iterative Spectral Evaluation) software for real-time NMR experiment optimization, including pulse width calibration and Ernst angle optimization, and demonstrates applications across various NMR experiments.Lastly, the book examines accelerated 2D NMR data collection and the NOAH (NMR by Ordered Acquisition using 1H detection) supersequences, emphasizing automated pulse program creation using GENESIS (GENEration of Supersequences In Silico). Covered NMR experiments include 13C sensitivity-enhanced HSQC, 15N HMQC (Heteronuclear Multiple Quantum Coherence), dual HSQC, HSQC-TOCSY (Total Correlation Spectroscopy), HMBC (Heteronuclear Multiple Bond Correlation), and ADEQUATE (Adequate Sensitivity Double-Quantum Spectroscopy).

Pharmaceutical chemistry (PC) represents a dynamic field of research that plays a pivotal role in the development of life-saving pharmaceuticals. PC is a precise science: One needs to rely on the accuracy of previous discoveries that have provided massive amount of precious information and databases as a solid foundation to move forward. PC is also an art where the artist uses a subtle mixture of knowledge, experimental learning, creativity, intuition, boldness, and serendipity to paint the right canvas. Nature often serves as a stimulus for pharmaceutical chemists. Many drugs are derived from natural compounds found in plants, fungi, or microorganisms. Chemists study these natural sources, seeking inspiration to design synthetic molecules that mimic the therapeutic properties of the originals while optimizing their characteristics. Francis Collins, geneticist and expert in the pharmaceutical industry, explains that the molecular cause of 4,000 diseases is no longer a secret to humanity, but there are only treatments available for 250 of them. Therefore, the world requires more professionals who can produce better medicines and solve more needs. For this reason, it is urgent to discover a new system, new drugs, better industrial processes and faster responses for rare and complex diseases. That is the importance and need for more students in love with PC. It is the author's wish that volumes 1 and 2 of this series may serve as motivation for students who intend to get started in the exciting world of drug design, synthesis and development. There is no nobler objective than improving health and quality of life of the human race. The unprecedented increase in human life expectancy, which has almost doubled in a hundred years, is mainly due to drugs and to those who discovered them. It is more important to create awareness in the student that he/she is responsible for his own learning and not simply a passive consumer of information. In this way we will be able to train versatile professionals with an attitude of transformative social change. Drug Design and Action is trated in a separate volume ISBN 978-3-11-131654-3.

This thesis describes how the rich internal degrees of freedom of molecules can be exploited to construct the first ¿clock¿ based on ultracold molecules, rather than atoms. By holding the molecules in an optical lattice trap, the vibrational clock is engineered to have a high oscillation quality factor, facilitating the full characterization of frequency shifts affecting the clock at the hertz level. The prototypical vibrational molecular clock is shown to have a systematic fractional uncertainty at the 14th decimal place, matching the performance of the earliest optical atomic lattice clocks. As part of this effort, deeply bound strontium dimers are coherently created, and ultracold collisions of these Van der Waals molecules are studied for the first time, revealing inelastic losses at the universal rate. The thesis reports one of the most accurate measurements of a molecule¿s vibrational transition frequency to date. The molecular clock lays the groundwork for explorations into terahertz metrology, quantum chemistry, and fundamental interactions at atomic length scales.

This brief is a concise guide that explores the theory and practical aspects of improving enantioselectivity in enzymatic kinetic resolution, with a specific focus on the role of hydrolases in this process. Enzymatic kinetic resolution is a valuable technique for obtaining enantiopure compounds, and hydrolases are highlighted as a crucial class of enzymes widely used in industries for chiral synthesis involving kinetic resolution. The book emphasizes the importance of tuning and optimizing the enzymatic kinetic resolution process to achieve the highest possible enantiomeric excess in the final product or starting material while maintaining the desired yield. Through illustrative examples, the text aims to make the concept accessible and appealing to graduate students, researchers, and young organic chemists seeking to incorporate hydrolases in their stereoselective synthesis endeavors.

Waste-Based Zeolite: Synthesis and Environmental Applications focuses on the use of waste-based materials to fabricate zeolite and its subsequent use in environmental applications. It presents recent progress in zeolite synthesis using wastes products such as fly ash, steel slag, biomass waste, water treatment plant sludge, and municipal waste, among others. It discusses the application of waste-based zeolite for environmental applications such as biodiesel production, as well as considering techniques for recovering spent zeolite. Many industries produce substantial quantities of waste material comprising various hazardous constituents that lead to pollution and threaten the environment. However, such waste can often be a rich source of precursor ingredients for zeolite synthesis, and waste-based zeolites could potentially provide an economically and environmentally viable alternative to commercially available zeolites. This book illuminates this fascinating avenue of research.

Electrochemical potassium storage explores the principles, materials, and technological developments of a variety of battery technologies based on electrochemical potassium storage. It covers the principles of potassium-ion batteries (organic and aqueous electrolytes), potassium metal batteries, potassium-sulfur (selenium) batteries, and potassium-oxygen batteries, as well as the development of the electrode materials of these batteries and the understanding of electrochemical cell operations. Batteries using potassium ions as the charge carrier to store energy operate via different electrochemical processes and have different features of materials electrochemistry compared to lithium-based batteries. Thus, battery technologies based on electrochemical potassium storage exhibit different performance strengths, potentially having diverse market applications. This is particularly important for the search for environmentally and economically sustainable alternatives to conventional lithium-ion batteries in a wide range of applications. This book presents the state-of-the-art development of potassium-based batteries and in-depth discussion on their structure-to-performance relationships.

This book is a sequel of The Physics of Quantum Well Infrared Photodetectors (1997), which covered the basic physics of QWIPs. In the intervening 27 years, QWIP properties pertinent to infrared detection are much better understood, and QWIP technology has become a mainstream, widely deployed infrared technology. The main progress is the ability to know the QWIP absorption quantum efficiency quantitatively through rigorous electromagnetic modeling. The lack of theoretical prediction has impeded QWIP development for a long time. Generally, an arbitrary choice of detector structures yields substantial variations of absorption properties, and QWIP was regarded as a low quantum efficiency detector. With the advent of electromagnetic modeling, quantum efficiency of any detector geometry can be known exactly and be optimized to attain a large satisfactory value. Consequently, all properties of QWIPs are predictable, not unlike prevailing silicon devices. This unique characteristic enables QWIP to be the most manufacturable long wavelength infrared technology in mass production. This book by K K Choi, a co-inventor of QWIPs, will capture this exciting development.Based on the materials expounded in the book, the reader will know key performance metrics in infrared detection, in-depth knowledge of QWIP material and structural designs, array production, its application, and practical knowledge of electromagnetic modeling. In addition, the book will describe using micro- and nano-structures to enhance the emission properties of active and passive optical emitters, similar to detectors. The application of rigorous electromagnetic modeling to optical emitters is new to the optoelectronic community. The resonator-pixel emitter structure with its modeling method will no doubt be able to attract substantial academic and industrial attention in years to come.

This Handbook of Numerical Simulation of In-Flight Icing covers an array of methodologies and technologies on numerical simulation of in-flight icing and its applications. Comprised of contributions from internationally recognized experts from the Americas, Asia, and the EU, this authoritative, self-contained reference includes best practices and specification data spanning the gamut of simulation tools available internationally that can be used to speed up the certification of aircraft and make them safer to fly into known icing. The collection features nine sections concentrating on aircraft, rotorcraft, jet engines, UAVs; ice protection systems, including hot-air, electrothermal, and others; sensors and probes, CFD in the aid of testing, flight simulators, and certification process acceleration methods. Incorporating perspectives from academia, commercial, government R&D, the book is ideal for a range of engineers and scientists concerned with in-flight icing applications.