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.

In view of the high perishability of fruits such as acerola and banana and the population's great concern to adopt healthier eating habits, four formulations of acerola jelly with green banana biomass were prepared, with different percentages of biomass added. All the jelly treatments were subjected to analysis of pH, titratable acidity, soluble solids, vitamin C, moisture, ash, lipids, crude fiber and also sensory analysis and purchase intention.

Compte tenu de la forte périssabilité des fruits tels que l'acérola et la banane et de la volonté de la population d'adopter des habitudes alimentaires plus saines, quatre formulations de gelée d'acérola avec de la biomasse de banane verte ont été préparées, avec différents pourcentages de biomasse ajoutée. Tous les traitements de gelée ont été soumis à une analyse du pH, de l'acidité titrable, des solides solubles, de la vitamine C, de l'humidité, des cendres, des lipides, des fibres brutes, ainsi qu'à une analyse sensorielle et de l'intention d'achat.

In this book, the author will present a physical model of the formation of negatively charged microdispersed electrolysis bubbles of hydrogen and positively charged electrolysis bubbles of oxygen during process of electrolysis, which made it possible to develop advanced methods of purifying, concentrating, hydrogen and oxygen gases production, continues fuel elements of electric car or spacecraft charging both on Earth and in microgravity conditions.

High pressures play a more and more important role in modern technology. Examples are the supercritical fluid extraction of medical drugs and dyes from biological material, the handling of compressed or liquefied gases (including natural gas or hydrogen), the operation of modern thermal power plants, and various technical processes for controlled particle formation. High-Pressure Fluid Phase Equilibria, Second Edition enables understanding of the complicated phase behavior that fluid or fluid mixtures (liquids, gases, or supercritical phases) can exhibit at elevated pressures. The underlying thermodynamic equations are explained, and robust algorithms for the computation of such equilibria (including solid¿fluid equilibria) are proposed. Since the publication of the first edition of this book, there have been many new developments, for instance, differential equation methods for the computation of phase equilibria, accurate numerical differentiation, and high-precision equations of state (e.g., the GERG model). Moreover, more detail and explanation has been added on important topics that were only briefly examined in the original book to better assist the reader, such as expansion processes and chemical reactions). The book remains invaluable as a single resource for grasping the intricacies of fluid phase behavior. It enables the readers to write or improve their own computer programs for the calculation of phase equilibria. It will appeal to graduate students of chemical engineering and university research staff involved in chemical engineering of supercritical fluids or the physical chemistry of fluids; the book can also serve as the basis of lectures or advanced students¿ seminars.

The human tooth normally survives up to the old age without showing any catastrophic failure even when it has undergone up to a billion contacts between themselves. The question that immediately springs up is that how it remains so hard and tough to sustain such high occlusal impacts? This book basically sprouts out from the thirst to come up with an answer to this question. A humble attempt to provide a holistic overview of the structure property relationship that spans the hierarchy of the micro structural length scale of human tooth is presented here. In this context, the knowledge base and structure-property correlation about the static contact deformation, time dependent creep deformation, crack propagation and predictive modelling about mechanical behaviour of dental enamel and dentin tissues are discussed. Moreover, a unique strain tolerance is identified along with the corresponding mechanism that help enamel to enhance its contact deformation resistance as more external force is applied to deform it at the nanoscale.

This thesis describes in-depth theoretical efforts to understand the reaction mechanism of graphite and lithium metal as anodes for next-generation rechargeable batteries. The first part deals with Na intercalation chemistry in graphite, whose understanding is crucial for utilizing graphite as an anode for Na-ion batteries. The author demonstrates that Na ion intercalation in graphite is thermodynamically unstable because of the unfavorable Na-graphene interaction. To address this issue, the inclusion of screening moieties, such as solvents, is suggested and proven to enable reversible Na-solvent cointercalation in graphite. Furthermore, the author provides the correlation between the intercalation behavior and the properties of solvents, suggesting a general strategy to tailor the electrochemical intercalation chemistry. The second part addresses the Li dendrite growth issue, which is preventing practical application of Li metal anodes. A continuum mechanics study considering various experimental conditions reveals the origins of irregular growth of Li metal. The findings provide crucial clues for developing effective counter strategies to control the Li metal growth, which will advance the application of high-energy-density Li metal anodes.

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: Theory, Simulation, and Modeling contains advanced topics like 2D correlation analysis, chemometrics and strong coupling, which 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 4x4 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. This book is written as a tool to reunite the fragmented field of infrared spectroscopy and 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 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.

In recent decades, there has been a substantial increase fungal infection (IFI), posing a significant threat to human health. Candida albicans, Cryptococcus neoformans, and Aspergillus fumigatus are the predominant pathogens responsible for the majority of IFIs in clinical settings. Despite advances in antifungal therapy, IFIs remain a major cause of morbidity and mortality, especially in immunocompromised and HIV-infected patients. The primary therapeutic families for fungal infections include polyenes, fluoropyrimidines, azoles, allylamines, and echinocandins. However, these antifungal drugs face challenges such as low water solubility, toxicity, narrow-spectrum activity, low bioavailability and, above all, the emergence of fungal drug resistance. To address the urgent medical need for improved antifungal agents, this book explores the application of Computer-Aided Drug Design (CADD) methods.

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.

This monograph describes the new quantum theory called the weakest bound electron theory (WBE theory) proposed by Prof. Neng-Wu Zheng and its applications. It starts with the fundamentals of quantum mechanics and then illustrates the key points of WBE theory and the mathematical expressions of WBE theory. Finally, it presents a wide range of applications of WBE theory to the chemical and physical properties of atoms and molecules, including energy levels, transition properties, the difference law of ionization energies etc. It appeals to a broad readership, particularly researchers and academics in chemistry, physics, and materials science.

This book provides an overview of functional membranes for efficient ion/molecule transfer and separation. It first presents the design, fabrication, structure, and performance of several kinds of membranes. Then, the application of membrane technology in organic solvent nanofiltration, hydrogen fuel cells, and solid-state lithium batteries is introduced. Furthermore, the book proposes strategies of strengthening the ion/molecular-level separation and transfer process in membrane processes. It also analyzes the development status, existing problems, and optimization methods in the field of membranes and membrane processes. Finally, it highlights the construction strategy of membrane structures, the structure¿performance relationships as well as the transfer and separation mechanisms. The target group of this book is academics and researchers in materials science, chemical engineering, biomedical engineering, and other related fields.

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.

The purpose of the book is to determine the most efficient treatment or treatment train for the removal of organic matter from leachate from the landfill of the city of Merida. For this purpose, different research projects have been developed, in which different physicochemical leachate treatments were used. Chronologically, they were developed as follows: coagulation/flocculation, flotation, adsorption, Fenton, filtration, Fenton dose optimization, adsorption optimization, Fenton/filtration/adsorption. The present work shows the results obtained from different experiences of the application of physicochemical processes to the leachates from the landfill of the city of Merida. Flotation, coagulation-flocculation, adsorption with activated carbon, Fenton and Fenton-adsorption processes were tested.

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 textbook is designed for students and researchers who are interested in materials and catalysts informatics with little to no prior experience in data science or programming languages. Starting with a comprehensive overview of the concept and historical context of materials and catalysts informatics, it serves as a guide for establishing a robust materials informatics environment. This essential resource is designed to teach vital skills and techniques required for conducting informatics-driven research, including the intersection of hardware, software, programming, machine learning within the field of data science and informatics. Readers will explore fundamental programming techniques, with a specific focus on Python, a versatile and widely-used language in the field. The textbook explores various machine learning techniques, equipping learners with the knowledge to harness the power of data science effectively. The textbook provides Python code examples, demonstrating materials informatics applications, and offers a deeper understanding through real-world case studies using materials and catalysts data. This practical exposure ensures readers are fully prepared to embark on their informatics-driven research endeavors upon completing the textbook. Instructors will also find immense value in this resource, as it consolidates the skills and information required for materials informatics into one comprehensive repository. This streamlines the course development process, significantly reducing the time spent on creating course material. Instructors can leverage this solid foundation to craft engaging and informative lecture content, making the teaching process more efficient and effective.

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.