White, Mark D.; McGrail, B. Peter
2005-12-01
flow and transport simulator, STOMP (Subsurface Transport Over Multiple Phases). Prior to these code development activities, the STOMP simulator included sequential and scalable implementations for numerically simulating the injection of supercritical CO2 into deep saline aquifers. Additionally, the sequential implementations included operational modes that considered nonisothermal conditions and kinetic dissolution of CO2 into the saline aqueous phase. This addendum documents the advancement of these numerical simulation capabilities to include reactive transport in the STOMP simulator through the inclusion of the recently PNNL developed batch geochemistry solution module ECKEChem (Equilibrium-Conservation-Kinetic Equation Chemistry). Potential geologic reservoirs for sequestering CO2 include deep saline aquifers, hydrate-bearing formations, depleted or partially depleted natural gas and petroleum reservoirs, and coal beds. The mechanisms for sequestering carbon dioxide in geologic reservoirs include physical trapping, dissolution in the reservoir fluids, hydraulic trapping (hysteretic entrapment of nonwetting fluids), and chemical reaction. This document and the associated code development and verification work are concerned with the chemistry of injecting CO2 into geologic reservoirs. As geologic sequestration of CO2 via chemical reaction, namely precipitation reactions, are most dominate in deep saline aquifers, the principal focus of this document is the numerical simulation of CO2 injection, migration, and geochemical reaction in deep saline aquifers. The ECKEChem batch chemistry module was developed in a fashion that would allow its implementation into all operational modes of the STOMP simulator, making it a more versatile chemistry component. Additionally, this approach allows for verification of the ECKEChem module against more classical reactive transport problems involving aqueous systems.
Efficient Simulations of Interstellar Gas-Grain Chemistry Using Moment Equations
Barzel, B
2007-01-01
Networks of reactions on dust grain surfaces play a crucial role in the chemistry of interstellar clouds, leading to the formation of molecular hydrogen in diffuse clouds as well as various organic molecules in dense molecular clouds. Due to the sub-micron size of the grains and the low flux, the population of reactive species per grain may be very small and strongly fluctuating. Under these conditions rate equations fail and the simulation of surface-reaction networks requires stochastic methods such as the master equation. However, the master equation becomes infeasible for complex networks because the number of equations proliferates exponentially. Here we introduce a method based on moment equations for the simulation of reaction networks on small grains. The number of equations is reduced to just one equation per reactive specie and one equation per reaction. Nevertheless, the method provides accurate results, which are in excellent agreement with the master equation. The method is demonstrated for the m...
Use of chemistry software to teach and assess model-based reaction and equation knowledge
Kevin Pyatt
2014-12-01
Full Text Available This study investigated the challenges students face when learning chemical reactions in a first-year chemistry course and the effectiveness of a curriculum and software implementation that was used to teach and assess student understanding of chemical reactions and equations. This study took place over a two year period in a public suburban high-school, in southwestern USA. Two advanced placement (AP chemistry classes participated, referred to here as study group A (year 1, N = 14; and study group B (year 2, N = 21. The curriculum for a first-year chemistry course (group A was revised to include instruction on reaction-types. The second year of the study involved the creation and implementation of a software solution which promoted mastery learning of reaction-types. Students in both groups benefited from the reaction-type curriculum and achieved proficiency in chemical reactions and equations. The findings suggest there was an added learning benefit to using the reaction-type software solution. This study also found that reaction knowledge was a moderate to strong predictor of chemistry achievement. Based on regression analysis, reaction knowledge significantly predicted chemistry achievement for both groups.
On the master equation approach to diffusive grain-surface chemistry: the H, O, CO system
Stantcheva, T; Herbst, E
2002-01-01
We have used the master equation approach to study a moderately complex network of diffusive reactions occurring on the surfaces of interstellar dust particles. This network is meant to apply to dense clouds in which a large portion of the gas-phase carbon has already been converted to carbon monoxide. Hydrogen atoms, oxygen atoms, and CO molecules are allowed to accrete onto dust particles and their chemistry is followed. The stable molecules produced are oxygen, hydrogen, water, carbon dioxide (CO2), formaldehyde (H2CO), and methanol (CH3OH). The surface abundances calculated via the master equation approach are in good agreement with those obtained via a Monte Carlo method but can differ considerably from those obtained with standard rate equations.
Solving a quantum chemistry equations and high-temperature superconductivity problems
Liverts, E Z
2000-01-01
The conventional technique for solving the equation of quantum chemistry (of solids) is unusually extended to the structures possessing certain symmetries. The extension proposed gives a chance to find unoccupied electronic states located lower than the Fermi level of the ground state of a specific system. Such states can be treated as 'spectral holes'. Application of this technique, in particular, when calculating the electronic structure of the HTSC-compound YBa sub 2 Cu sub 3 O sub 7 sub - subdelta (0<= delta<=1) results in the following. For all versions of the examined charge distributions over a crystal lattice, spectral holes of high spatial localization are found. The 'spatial spectral holes' are mainly located at the p sub y -orbitals of the apex oxygens. These orbitals overlap and form linear chains which are parallel too but do not coincide with the known Cu(1)-O chains which disappear when delta is close tio 1. One can suppose that these linear chains of the overlapping hole states from a su...
Danilo Claro Zanardi
2013-12-01
Full Text Available This paper presents an overview of the Didactic Transposition and Anthropological Theory of Didactic of Chevallard and the relationship between them in order to use them as an analysis tool to understand the appearance of content on the Clapeyron equation in both books of Physics and Chemistry. Praxeological analysis revealed a common core to these two science courses, complemented by some concepts which are contextualized to each one of them. This analysis can provide elements that guide the internal didactical transposition, helping teachers of physics and chemistry to minimize the fragmentation of this content in both science courses.
A Radiation Chemistry Code Based on the Greens Functions of the Diffusion Equation
Plante, Ianik; Wu, Honglu
2014-01-01
Ionizing radiation produces several radiolytic species such as.OH, e-aq, and H. when interacting with biological matter. Following their creation, radiolytic species diffuse and chemically react with biological molecules such as DNA. Despite years of research, many questions on the DNA damage by ionizing radiation remains, notably on the indirect effect, i.e. the damage resulting from the reactions of the radiolytic species with DNA. To simulate DNA damage by ionizing radiation, we are developing a step-by-step radiation chemistry code that is based on the Green's functions of the diffusion equation (GFDE), which is able to follow the trajectories of all particles and their reactions with time. In the recent years, simulations based on the GFDE have been used extensively in biochemistry, notably to simulate biochemical networks in time and space and are often used as the "gold standard" to validate diffusion-reaction theories. The exact GFDE for partially diffusion-controlled reactions is difficult to use because of its complex form. Therefore, the radial Green's function, which is much simpler, is often used. Hence, much effort has been devoted to the sampling of the radial Green's functions, for which we have developed a sampling algorithm This algorithm only yields the inter-particle distance vector length after a time step; the sampling of the deviation angle of the inter-particle vector is not taken into consideration. In this work, we show that the radial distribution is predicted by the exact radial Green's function. We also use a technique developed by Clifford et al. to generate the inter-particle vector deviation angles, knowing the inter-particle vector length before and after a time step. The results are compared with those predicted by the exact GFDE and by the analytical angular functions for free diffusion. This first step in the creation of the radiation chemistry code should help the understanding of the contribution of the indirect effect in the
Xinzhi Liu
1998-01-01
Full Text Available This paper studies a class of high order delay partial differential equations. Employing high order delay differential inequalities, several oscillation criteria are established for such equations subject to two different boundary conditions. Two examples are also given.
Edward, Jimenez; Hector, Mosquera; Marco, Cortez; Jimenez, Esteban; Ayala, Carlos E.; Gustavo, Lopez; Ullrich, Stahl
2016-01-01
In this work we show that the dynamics of chemical reactions of order zero, one and two have a representation through logistics probability. This probability is robust, stable and complies systemically with the differential equation of Fisher Kolmogorov (F K). It is robust, because in theorem 1 and theorem 3 differential equations of diffusion and heat transfer are obtained, where the temperature plays a key role. Also, the Eikonal equation of wave mechanics allows us to construct the heat eq...
Edward, Jimenez; Marco, Cortez; Jimenez, Esteban; Ayala, Carlos E; Gustavo, Lopez; Ullrich, Stahl
2016-01-01
In this work we show that the dynamics of chemical reactions of order zero, one and two have a representation through logistics probability. This probability is robust, stable and complies systemically with the differential equation of Fisher Kolmogorov (F K). It is robust, because in theorem 1 and theorem 3 differential equations of diffusion and heat transfer are obtained, where the temperature plays a key role. Also, the Eikonal equation of wave mechanics allows us to construct the heat equation. In Lemma 2, Fick diffusion equation is demonstrated. It is stable, because probability convergence when t converge infinitum, gives us new ways to analyze the kinetics of a reaction integrally, in Corollary 5. Finally, the theoretically and experimentally obtained algorithms and results support the convergence in probability of the quantum tunnel effect and chemical reactions for: hydrogen production at ultra low temperature and catalytic cracking of asphalt at high temperature.
Ngu, Bing Hiong; Yeung, Alexander Seeshing
2013-01-01
Text editing directs students' attention to the problem structure as they classify whether the texts of word problems contain sufficient, missing or irrelevant information for working out a solution. Equation worked examples emphasize the formation of a coherent problem structure to generate a solution. Its focus is on the construction of three…
Raker, Jeffrey R.; Emenike, Mary E.; Holme, Thomas A.
2013-01-01
Chemistry departments have felt pressure in recent years to produce quality data on student achievement of learning outcomes. External (e.g., accreditation agencies) and internal (e.g., academic deans) entities are demanding regular review of student achievement. It is thus necessary for the chemistry community to develop valid and reliable…
González, Antonio; Paoloni, Paola-Verónica
2015-01-01
Research in chemistry education has highlighted a number of variables that predict learning and performance, such as teacher-student interactions, academic motivation and metacognition. Most of this chemistry research has examined these variables by identifying dyadic relationships through bivariate correlations. The main purpose of this study was…
Nakatsuji, Hiroshi
2012-09-18
Just as Newtonian law governs classical physics, the Schrödinger equation (SE) and the relativistic Dirac equation (DE) rule the world of chemistry. So, if we can solve these equations accurately, we can use computation to predict chemistry precisely. However, for approximately 80 years after the discovery of these equations, chemists believed that they could not solve SE and DE for atoms and molecules that included many electrons. This Account reviews ideas developed over the past decade to further the goal of predictive quantum chemistry. Between 2000 and 2005, I discovered a general method of solving the SE and DE accurately. As a first inspiration, I formulated the structure of the exact wave function of the SE in a compact mathematical form. The explicit inclusion of the exact wave function's structure within the variational space allows for the calculation of the exact wave function as a solution of the variational method. Although this process sounds almost impossible, it is indeed possible, and I have published several formulations and applied them to solve the full configuration interaction (CI) with a very small number of variables. However, when I examined analytical solutions for atoms and molecules, the Hamiltonian integrals in their secular equations diverged. This singularity problem occurred in all atoms and molecules because it originates from the singularity of the Coulomb potential in their Hamiltonians. To overcome this problem, I first introduced the inverse SE and then the scaled SE. The latter simpler idea led to immediate and surprisingly accurate solution for the SEs of the hydrogen atom, helium atom, and hydrogen molecule. The free complement (FC) method, also called the free iterative CI (free ICI) method, was efficient for solving the SEs. In the FC method, the basis functions that span the exact wave function are produced by the Hamiltonian of the system and the zeroth-order wave function. These basis functions are called complement
Equations of state of anhydrous AlF3 and AlI3: Modeling of extreme condition halide chemistry.
Stavrou, Elissaios; Zaug, Joseph M; Bastea, Sorin; Crowhurst, Jonathan C; Goncharov, Alexander F; Radousky, Harry B; Armstrong, Michael R; Roberts, Sarah K; Plaue, Jonathan W
2015-06-07
Pressure dependent angle-dispersive x-ray powder diffraction measurements of alpha-phase aluminum trifluoride (α-AlF3) and separately, aluminum triiodide (AlI3) were conducted using a diamond-anvil cell. Results at 295 K extend to 50 GPa. The equations of state of AlF3 and AlI3 were determined through refinements of collected x-ray diffraction patterns. The respective bulk moduli and corresponding pressure derivatives are reported for multiple orders of the Birch-Murnaghan (B-M), finite-strain (F-f), and higher pressure finite-strain (G-g) EOS analysis models. Aluminum trifluoride exhibits an apparent isostructural phase transition at approximately 12 GPa. Aluminum triiodide also undergoes a second-order atomic rearrangement: applied stress transformed a monoclinically distorted face centered cubic (fcc) structure into a standard fcc structural arrangement of iodine atoms. Results from semi-empirical thermochemical computations of energetic materials formulated with fluorine containing reactants were obtained with the aim of predicting the yield of halogenated products.
Boz, Yezdan; Yerdelen-Damar, Sevda; Aydemir, Nurdane; Aydemir, Murat
2016-01-01
Background: Investigating factors contributing to chemistry achievement is important since it enables us to make more concrete instructional decisions related to improving students' chemistry achievement. Purpose: This study aimed to investigate how students' perceptions of learning environment, self-efficacy and gender are related to chemistry…
Arnold, J. O.
1987-01-01
With the advent of supercomputers, modern computational chemistry algorithms and codes, a powerful tool was created to help fill NASA's continuing need for information on the properties of matter in hostile or unusual environments. Computational resources provided under the National Aerodynamics Simulator (NAS) program were a cornerstone for recent advancements in this field. Properties of gases, materials, and their interactions can be determined from solutions of the governing equations. In the case of gases, for example, radiative transition probabilites per particle, bond-dissociation energies, and rates of simple chemical reactions can be determined computationally as reliably as from experiment. The data are proving to be quite valuable in providing inputs to real-gas flow simulation codes used to compute aerothermodynamic loads on NASA's aeroassist orbital transfer vehicles and a host of problems related to the National Aerospace Plane Program. Although more approximate, similar solutions can be obtained for ensembles of atoms simulating small particles of materials with and without the presence of gases. Computational chemistry has application in studying catalysis, properties of polymers, all of interest to various NASA missions, including those previously mentioned. In addition to discussing these applications of computational chemistry within NASA, the governing equations and the need for supercomputers for their solution is outlined.
Introducing Relativity into Quantum Chemistry
Li, Wai-Kee; Blinder, S. M.
2011-01-01
It is not often realized by chemists that the special theory of relativity is behind several aspects of quantum chemistry. The Schrdinger equation itself is based on relations between space-time and energy-momentum four vectors. Electron spin is, of course, the most obvious manifestation of relativity. The chemistry of some heavy elements is…
Introducing Relativity into Quantum Chemistry
Li, Wai-Kee; Blinder, S. M.
2011-01-01
It is not often realized by chemists that the special theory of relativity is behind several aspects of quantum chemistry. The Schrdinger equation itself is based on relations between space-time and energy-momentum four vectors. Electron spin is, of course, the most obvious manifestation of relativity. The chemistry of some heavy elements is…
Lorenzini, R.; Passoni, L. [ENEA, Centro Ricerche Ezio Clementel, Bologna (Italy). Dipt. Ambiente
1999-07-01
The integration of ordinary differential equations systems (ODEs) is of significant concern to tropospheric and stratospheric chemistry modelers. The solution of the ODEs requires a large computational effort because of their stiff nature; in a three-dimensional photochemical model the solution of the ODEs required at least 70% of the total CPU time. Several numerical integration techniques exist which attempt to provide accurate and computationally efficient solutions. In this work it is presented a comparison of some of the techniques in terms of solution accuracy and required computational time. It has been compared the Hybrid Solver (Young and Boris, 1977), the Quasi Steady-State Approximation method (Hesstvedt et al., 1978) and the Chemical Solver for Ordinary Differential Equations (Aro, 1996), by using the CALGRID photochemical model. The accuracy is evaluated by comparing the results of every method with the solutions obtained by the Livermore Solver for Ordinary Differential Equations (Hindmarsh, 1980). The comparison has been made varing the parameters of the error tolerances, and taking into account the trade-off between solution accuracy and computational efficiency. [Italian] L'integrazione di sistemi di equazioni differenziali ordinarie (ODEs), e' un problema significativo per i modellisti della chimica troposferica e stratosferica. A causa della loro natura stiff la soluzione degli ODEs richiese un notevole sforzo computazionale; in un modello fotochimico tridimensionale la soluzione degli ODEs richiede almeno il 70% del tempo totale di CPU. Esistono diverse tecniche di integrazione numerica che possono fornire soluzioni accurate e computazionalmente efficienti: in questo lavoro presentiamo un confronto fra alcune tecniche in termini di accuratezza della soluzione e tempo computazionale richiesto. Si sono confrontati il Solver Ibrido (Young and Boris, 1977), il metodo Quasi Steady-State Approximation (Hesstvedt et al., 1978) ed il Chemical
Differential equations for dummies
Holzner, Steven
2008-01-01
The fun and easy way to understand and solve complex equations Many of the fundamental laws of physics, chemistry, biology, and economics can be formulated as differential equations. This plain-English guide explores the many applications of this mathematical tool and shows how differential equations can help us understand the world around us. Differential Equations For Dummies is the perfect companion for a college differential equations course and is an ideal supplemental resource for other calculus classes as well as science and engineering courses. It offers step-by-step techniques, practical tips, numerous exercises, and clear, concise examples to help readers improve their differential equation-solving skills and boost their test scores.
A Student Guide to Studying General Chemistry.
Schlenker, Richard M.
This is a guide for introductory college chemistry students who are new to the subject of chemistry and who have been exposed to linear and second-order algebra equations and the concept of slope. The guide presents directions on the following topics: (1) How to prepare for lectures and take notes; (2) How to study chemistry outside of class using…
Stavrou, Elissaios, E-mail: stavrou1@llnl.gov [Geophysical Laboratory, Carnegie Institution of Washington, Washington, D.C. 20015 (United States); Lawrence Livermore National Laboratory, Physical and Life Sciences Directorate, P.O. Box 808 L-350, Livermore, California 94550 (United States); Zaug, Joseph M., E-mail: zaug1@llnl.gov; Bastea, Sorin; Crowhurst, Jonathan C.; Radousky, Harry B.; Armstrong, Michael R.; Roberts, Sarah K.; Plaue, Jonathan W. [Lawrence Livermore National Laboratory, Physical and Life Sciences Directorate, P.O. Box 808 L-350, Livermore, California 94550 (United States); Goncharov, Alexander F. [Geophysical Laboratory, Carnegie Institution of Washington, Washington, D.C. 20015 (United States)
2015-06-07
Pressure dependent angle-dispersive x-ray powder diffraction measurements of alpha-phase aluminum trifluoride (α-AlF{sub 3}) and separately, aluminum triiodide (AlI{sub 3}) were conducted using a diamond-anvil cell. Results at 295 K extend to 50 GPa. The equations of state of AlF{sub 3} and AlI{sub 3} were determined through refinements of collected x-ray diffraction patterns. The respective bulk moduli and corresponding pressure derivatives are reported for multiple orders of the Birch-Murnaghan (B-M), finite-strain (F-f), and higher pressure finite-strain (G-g) EOS analysis models. Aluminum trifluoride exhibits an apparent isostructural phase transition at approximately 12 GPa. Aluminum triiodide also undergoes a second-order atomic rearrangement: applied stress transformed a monoclinically distorted face centered cubic (fcc) structure into a standard fcc structural arrangement of iodine atoms. Results from semi-empirical thermochemical computations of energetic materials formulated with fluorine containing reactants were obtained with the aim of predicting the yield of halogenated products.
School Science Review, 1976
1976-01-01
Described are eight chemistry experiments and demonstrations applicable to introductory chemistry courses. Activities include: measure of lattice enthalpy, Le Chatelier's principle, decarboxylation of soap, use of pocket calculators in pH measurement, and making nylon. (SL)
Hemming, Karl
2011-01-01
Recent progress in the synthesis of heterocyclic compounds is presented\\ud 2010 offered highlights in pericyclic chemistry, particularly 1,3-dipolar cycloaddition chemistry, asymmetric synthesis, gold catalysis, organocatalysis, hydroamination, C–H activation and multicomponent reactions.
The Chemistry Dashboard is part of a suite of dashboards developed by EPA to help evaluate the safety of chemicals. The Chemistry Dashboard provides access to a variety of information on over 700,000 chemicals currently in use.
Häussinger, Daniel; Pfohl, Thomas
2010-01-01
Biophysical chemistry at the Department of Chemistry, University of Basel, covers the NMR analysis of protein-protein interaction using paramagnetic tags and sophisticated microscopy techniques investigating the dynamics of biological matter.
Griffiths, J.; Rattee, I. D.
1973-01-01
Discusses the course offerings in pure color chemistry at two universities and the three main aspects of study: dyestuff chemistry, color measurement, and color application. Indicates that there exists a constant challenge to ingenuity in the subject discipline. (CC)
Nielsen, John
1994-01-01
An overview of combinatorial chemistry is presented. Combinatorial chemistry, sometimes referred to as `irrational drug design,' involves the generation of molecular diversity. The resulting chemical library is then screened for biologically active compounds.......An overview of combinatorial chemistry is presented. Combinatorial chemistry, sometimes referred to as `irrational drug design,' involves the generation of molecular diversity. The resulting chemical library is then screened for biologically active compounds....
Nielsen, John
1994-01-01
An overview of combinatorial chemistry is presented. Combinatorial chemistry, sometimes referred to as `irrational drug design,' involves the generation of molecular diversity. The resulting chemical library is then screened for biologically active compounds.......An overview of combinatorial chemistry is presented. Combinatorial chemistry, sometimes referred to as `irrational drug design,' involves the generation of molecular diversity. The resulting chemical library is then screened for biologically active compounds....
Green, James
1964-01-01
Positronium Chemistry focuses on the methodologies, reactions, processes, and transformations involved in positronium chemistry. The publication first offers information on positrons and positronium and experimental methods, including mesonic atoms, angular correlation measurements, annihilation spectra, and statistical errors in delayed coincidence measurements. The text then ponders on positrons in gases and solids. The manuscript takes a look at the theoretical chemistry of positronium and positronium chemistry in gases. Topics include quenching, annihilation spectrum, delayed coincidence
Equation of state of solid krypton from correlated quantum chemistry calculations%固氪物态方程的关联量子化学计算
武娜; 杨皎; 肖芬; 蔡灵仓; 田春玲
2014-01-01
The two-, three- and four-body interaction energies in face-centered cubic (fcc) krypton are evaluated using the many-body expansion method and the coupled cluster theory with full single and double excitations plus perturbative treatment of triples, and both self-consistent-field (SCF) Hartree-Fock energy and correlation one are accurately deter-mined in a wide volume range (from 27 to 4 cm3/mol). All different three- and four-atom clusters existing in the first three and two nearest and two neighbor shells of fcc lattice are considered. It is found that the three-body interaction energy is positive at low compression, where the dispersive forces play a dominant role, with increasing the compression the three-body contribution becomes attractive, and the SCF energy overwhelms the dispersive one. At pressures higher than 30 GPa, the four-body contribution becomes important and significantly cancels the over-softening effects of the three-body potential. It shows that the combination of the four-body effects with two- and three-body interactions leads to an excellent agreement with the measurements from the equation of state in the whole experimental range of 0-130 GPa.%运用多体展开理论和量子化学方法--超分子单、双(三重)激发微扰处理耦合簇CCSD (T)方法，首次系统地计算了面心立方固氪在较宽(从晶格平衡位置到体积压缩率超过3倍)区间的两体、三体和四体相互作用对结合能和物态方程的贡献大小，包括Hartree-Fock自洽场项和范德瓦耳斯长程关联作用项；并与实验数据进行比较。结果表明，在考虑到两体、三体、四体相互作用能后，多体展开理论以及CCSD (T)方法对平衡位置结合能测量数据0-130 GPa整个研究区间的实验物态方程数据都做出令人满意的描述。
Bell, Suzanne
2009-01-01
Forensic chemistry is unique among chemical sciences in that its research, practice, and presentation must meet the needs of both the scientific and the legal communities. As such, forensic chemistry research is applied and derivative by nature and design, and it emphasizes metrology (the science of measurement) and validation. Forensic chemistry has moved away from its analytical roots and is incorporating a broader spectrum of chemical sciences. Existing forensic practices are being revisited as the purview of forensic chemistry extends outward from drug analysis and toxicology into such diverse areas as combustion chemistry, materials science, and pattern evidence.
NONE
2003-08-15
This book with sixteen chapter explains organic chemistry on linkage isomerism such as alkane, cycloalkane, alkene, aromatic compounds, stereo selective isomerization, aromatic compounds, stereo selective isomerization, organic compounds, stereo selective isomerization, organic halogen compound, alcohol, ether, aldehyde and ketone, carboxylic acid, dicarboxylic acid, fat and detergent, amino, carbohydrate, amino acid and protein, nucleotide and nucleic acid and spectroscopy, a polymer and medical chemistry. Each chapter has introduction structure and characteristic and using of organic chemistry.
2000-01-01
Computational chemistry has come of age. With significant strides in computer hardware and software over the last few decades, computational chemistry has achieved full partnership with theory and experiment as a tool for understanding and predicting the behavior of a broad range of chemical, physical, and biological phenomena. The Nobel Prize award to John Pople and Walter Kohn in 1998 highlighted the importance of these advances in computational chemistry. With massively parallel computers ...
Federal Laboratory Consortium — Chemistry technology experts at NCATS engage in a variety of innovative translational research activities, including:Design of bioactive small molecules.Development...
Lowe, John P
1993-01-01
Praised for its appealing writing style and clear pedagogy, Lowe's Quantum Chemistry is now available in its Second Edition as a text for senior undergraduate- and graduate-level chemistry students. The book assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry, thus enabling students to comprehend much of the current chemical literature in which quantum chemical methods or concepts are used as tools. The book begins with a six-chapter introduction of standard one-dimensional systems, the hydrogen atom,
Mathematical methods for physical and analytical chemistry
Goodson, David Z
2011-01-01
Mathematical Methods for Physical and Analytical Chemistry presents mathematical and statistical methods to students of chemistry at the intermediate, post-calculus level. The content includes a review of general calculus; a review of numerical techniques often omitted from calculus courses, such as cubic splines and Newton's method; a detailed treatment of statistical methods for experimental data analysis; complex numbers; extrapolation; linear algebra; and differential equations. With numerous example problems and helpful anecdotes, this text gives chemistry students the mathematical
Baron, Mark; Gonzalez-Rodriguez, Jose; Stevens, Gary; Gray, Nathan; Atherton, Thomas; Winn, Joss
2010-01-01
Teaching and Learning resources for the 1st Year Introductory Chemistry course (Forensic Science). 30 credits. These are Open Educational Resources (OER), made available for re-use under a Creative Commons license.
Fahlman, Bradley D
2011-01-01
The 2nd edition of Materials Chemistry builds on the strengths that were recognized by a 2008 Textbook Excellence Award from the Text and Academic Authors Association (TAA). Materials Chemistry addresses inorganic-, organic-, and nano-based materials from a structure vs. property treatment, providing a suitable breadth and depth coverage of the rapidly evolving materials field. The 2nd edition continues to offer innovative coverage and practical perspective throughout. After briefly defining materials chemistry and its history, seven chapters discuss solid-state chemistry, metals, semiconducting materials, organic "soft" materials, nanomaterials, and materials characterization. All chapters have been thoroughly updated and expanded with, for example, new sections on ‘soft lithographic’ patterning, ‘click chemistry’ polymerization, nanotoxicity, graphene, as well as many biomaterials applications. The polymer and ‘soft’ materials chapter represents the largest expansion for the 2nd edition. Each ch...
Chemical and Engineering News, 1979
1979-01-01
Provides a brief review of the latest developments in nuclear chemistry. Nuclear research today is directed toward increased activity in radiopharmaceuticals and formation of new isotopes by high-energy, heavy-ion collisions. (Author/BB)
2011-01-01
@@ Cansisting of eight scientists from the State Key Laboratory of Physical Chemistry of Solid Surfaces and Xiamen University, this creative research group is devoted to the research of cluster chemistry and creation of nanomaterials.After three-year hard work, the group scored a series of encouraging progresses in synthesis of clusters with special structures, including novel fullerenes, fullerene-like metal cluster compounds as well as other related nanomaterials, and their properties study.
Collison, Melanie
2011-05-15
Green chemistry is the science of chemistry used in a way that will not use or create hazardous substances. Dr. Rui Resendes is working in this field at GreenCentre Canada, an offshoot of PARTEQ Innovations in Kingston, Ontario. GreenCentre's preliminary findings suggest their licensed product {sup S}witchable Solutions{sup ,} featuring 3 classes of solvents and a surfactant, may be useful in bitumen oil sands extraction.
Magnus, Wilhelm
2004-01-01
The hundreds of applications of Hill's equation in engineering and physics range from mechanics and astronomy to electric circuits, electric conductivity of metals, and the theory of the cyclotron. New applications are continually being discovered and theoretical advances made since Liapounoff established the equation's fundamental importance for stability problems in 1907. Brief but thorough, this volume offers engineers and mathematicians a complete orientation to the subject.""Hill's equation"" connotes the class of homogeneous, linear, second order differential equations with real, period
Noort, van P.C.M.
2013-01-01
Abraham solvation equations find widespread use in environmental chemistry and pharmaco-chemistry. The coefficients in these equations, which are solvent (system) descriptors, are usually determined by fitting experimental data. To simplify the determination of these coefficients in Abraham solvatio
Chemistry of Cigarette Burning Processes
Chen P
2014-12-01
Full Text Available Cigarette-burning and the smoke-formation processes and smoke composition are important topics for understanding cigarette performance. This paper proposes the molecular formulas representing the active components of bright, burley, and Oriental tobaccos and a basic chemistry model of the cigarette burning processes. Previous knowledge of the cigarette burning processes and smoke formation helped to establish parameters in deriving the basic chemistry equations. The proposed chemistry provides a brief view of the mechanisms of the cigarette burning during puffing and interpuff smoldering, and can be used to interpret and predict the smoke composition for cigarettes made from bright, burley, and Oriental tobaccos. Based on the proposed chemistry, the effect of ventilation on smoke component deliveries is discussed and the reaction heat of the puffing process is estimated.
Wojnárovits, L.
Ionizing radiation causes chemical changes in the molecules of the interacting medium. The initial molecules change to new molecules, resulting in changes of the physical, chemical, and eventually biological properties of the material. For instance, water decomposes to its elements H2 and O2. In polymers, degradation and crosslinking take place. In biopolymers, e.g., DNS strand breaks and other alterations occur. Such changes are to be avoided in some cases (radiation protection), however, in other cases they are used for technological purposes (radiation processing). This chapter introduces radiation chemistry by discussing the sources of ionizing radiation (radionuclide sources, machine sources), absorption of radiation energy, techniques used in radiation chemistry research, and methods of absorbed energy (absorbed dose) measurements. Radiation chemistry of different classes of inorganic (water and aqueous solutions, inorganic solids, ionic liquids (ILs)) and organic substances (hydrocarbons, halogenated compounds, polymers, and biomolecules) is discussed in concise form together with theoretical and experimental backgrounds. An essential part of the chapter is the introduction of radiation processing technologies in the fields of polymer chemistry, food processing, and sterilization. The application of radiation chemistry to nuclear technology and to protection of environment (flue gas treatment, wastewater treatment) is also discussed.
Handbook of heterocyclic chemistry
Katritzky, Alan R
2010-01-01
... Heterocyclic Chemistry I (1984) Comprehensive Heterocyclic Chemistry II (1996) Comprehensive Heterocyclic Chemistry III (2008) Comprehensive Organic Functional Group Transformations I (1995) Compreh...
Sustainable chemistry metrics.
Calvo-Flores, Francisco García
2009-01-01
Green chemistry has developed mathematical parameters to describe the sustainability of chemical reactions and processes, in order to quantify their environmental impact. These parameters are related to mass and energy magnitudes, and enable analyses and numerical diagnoses of chemical reactions. The environmental impact factor (E factor), atom economy, and reaction mass efficiency have been the most influential metrics, and they are interconnected by mathematical equations. The ecodesign concept must also be considered for complex industrial syntheses, as a part of the sustainability of manufacturing processes. The aim of this Concept article is to identify the main parameters for evaluating undesirable environmental consequences.
Principles of quantum chemistry
George, David V
2013-01-01
Principles of Quantum Chemistry focuses on the application of quantum mechanics in physical models and experiments of chemical systems.This book describes chemical bonding and its two specific problems - bonding in complexes and in conjugated organic molecules. The very basic theory of spectroscopy is also considered. Other topics include the early development of quantum theory; particle-in-a-box; general formulation of the theory of quantum mechanics; and treatment of angular momentum in quantum mechanics. The examples of solutions of Schroedinger equations; approximation methods in quantum c
Quantum chemistry an introduction
Kauzmann, Walter
2013-01-01
Quantum Chemistry: An Introduction provides information pertinent to the fundamental aspects of quantum mechanics. This book presents the theory of partial differentiation equations by using the classical theory of vibrations as a means of developing physical insight into this essential branch of mathematics.Organized into five parts encompassing 16 chapters, this book begins with an overview of how quantum mechanical deductions are made. This text then describes the achievements and limitations of the application of quantum mechanics to chemical problems. Other chapters provide a brief survey
Williams, Martha; Roberson, Luke; Caraccio, Anne
2010-01-01
This viewgraph presentation describes new technologies in polymer and material chemistry that benefits NASA programs and missions. The topics include: 1) What are Polymers?; 2) History of Polymer Chemistry; 3) Composites/Materials Development at KSC; 4) Why Wiring; 5) Next Generation Wiring Materials; 6) Wire System Materials and Integration; 7) Self-Healing Wire Repair; 8) Smart Wiring Summary; 9) Fire and Polymers; 10) Aerogel Technology; 11) Aerogel Composites; 12) Aerogels for Oil Remediation; 13) KSC's Solution; 14) Chemochromic Hydrogen Sensors; 15) STS-130 and 131 Operations; 16) HyperPigment; 17) Antimicrobial Materials; 18) Conductive Inks Formulations for Multiple Applications; and 19) Testing and Processing Equipment.
Efficient simulations of gas-grain chemistry in interstellar clouds
Lipshtat, A; Lipshtat, Azi; Biham, Ofer
2004-01-01
Chemical reactions on dust grains are of crucial importance in interstellar chemistry because they produce molecular hydrogen and various organic molecules. Due to the submicron size of the grains and the low flux, the surface populations of reactive species are small and strongly fluctuate. Under these conditions rate equations fail and the master equation is needed for modeling these reactions. However, the number of equations in the master equation grows exponentially with the number of reactive species, severely limiting its feasibility. Here we present a method which dramatically reduces the number of equations, thus enabling the incorporation of the master equation in models of interstellar chemistry.
Dimensional Equations of Entropy
Sparavigna, Amelia Carolina
2015-01-01
Entropy is a quantity which is of great importance in physics and chemistry. The concept comes out of thermodynamics, proposed by Rudolf Clausius in his analysis of Carnot cycle and linked by Ludwig Boltzmann to the number of specific ways in which a physical system may be arranged. Any physics classroom, in its task of learning physics, has therefore to face this crucial concept. As we will show in this paper, the lectures can be enriched by discussing dimensional equations linked to the entropy of some physical systems.
Moiseiwitsch, B L
2005-01-01
Two distinct but related approaches hold the solutions to many mathematical problems--the forms of expression known as differential and integral equations. The method employed by the integral equation approach specifically includes the boundary conditions, which confers a valuable advantage. In addition, the integral equation approach leads naturally to the solution of the problem--under suitable conditions--in the form of an infinite series.Geared toward upper-level undergraduate students, this text focuses chiefly upon linear integral equations. It begins with a straightforward account, acco
Sullivan, P. Teal; Carsten Conner, L. D.; Guthrie, Mareca; Pompea, Stephen; Tsurusaki, Blakely K.; Tzou, Carrie
2017-01-01
This article describes a chemistry/art activity that originated in an National Science Foundation--funded two-week STEAM (Science, Technology, Engineering, Art, and Math) academy for grade 4-6 girls. The authors recommend using this investigation in conjunction with other activities focusing on chemical change as a step toward fulfilling the…
Lloyd K. Williams
1987-01-01
Full Text Available In this paper we find closed form solutions of some Riccati equations. Attention is restricted to the scalar as opposed to the matrix case. However, the ones considered have important applications to mathematics and the sciences, mostly in the form of the linear second-order ordinary differential equations which are solved herewith.
Prentis, Jeffrey J.
1996-05-01
One of the most challenging goals of a physics teacher is to help students see that the equations of physics are connected to each other, and that they logically unfold from a small number of basic ideas. Derivations contain the vital information on this connective structure. In a traditional physics course, there are many problem-solving exercises, but few, if any, derivation exercises. Creating an equation poem is an exercise to help students see the unity of the equations of physics, rather than their diversity. An equation poem is a highly refined and eloquent set of symbolic statements that captures the essence of the derivation of an equation. Such a poetic derivation is uncluttered by the extraneous details that tend to distract a student from understanding the essential physics of the long, formal derivation.
Young, C.W. [Applied Research Associates, Inc., Albuquerque, NM (United States)
1997-10-01
In 1967, Sandia National Laboratories published empirical equations to predict penetration into natural earth materials and concrete. Since that time there have been several small changes to the basic equations, and several more additions to the overall technique for predicting penetration into soil, rock, concrete, ice, and frozen soil. The most recent update to the equations was published in 1988, and since that time there have been changes in the equations to better match the expanding data base, especially in concrete penetration. This is a standalone report documenting the latest version of the Young/Sandia penetration equations and related analytical techniques to predict penetration into natural earth materials and concrete. 11 refs., 6 tabs.
Industrial chemistry engineering
NONE
1993-01-15
This book on industrial chemistry engineering is divided in two parts. The first part deals with industrial chemistry, inorganic industrial chemistry, organic industrial chemistry, analytical chemistry and practical questions. The last parts explain the chemical industry, a unit parts and thermodynamics in chemical industry and reference. It reveals the test subjects for the industrial chemistry engineering with a written examination and practical skill.
Tricomi, FG
2013-01-01
Based on his extensive experience as an educator, F. G. Tricomi wrote this practical and concise teaching text to offer a clear idea of the problems and methods of the theory of differential equations. The treatment is geared toward advanced undergraduates and graduate students and addresses only questions that can be resolved with rigor and simplicity.Starting with a consideration of the existence and uniqueness theorem, the text advances to the behavior of the characteristics of a first-order equation, boundary problems for second-order linear equations, asymptotic methods, and diff
Smoothing and Decay Estimates for Nonlinear Diffusion Equations Equations of Porous Medium Type
Vázquez, Juan Luis
2006-01-01
This text is concerned with the quantitative aspects of the theory of nonlinear diffusion equations; equations which can be seen as nonlinear variations of the classical heat equation. They appear as mathematical models in different branches of Physics, Chemistry, Biology, and Engineering, and are also relevant in differential geometry and relativistic physics. Much of the modern theory of such equations is based on estimates and functional analysis.Concentrating on a class of equations with nonlinearities of power type that lead to degenerate or singular parabolicity ("equations of porou
Barbu, Viorel
2016-01-01
This textbook is a comprehensive treatment of ordinary differential equations, concisely presenting basic and essential results in a rigorous manner. Including various examples from physics, mechanics, natural sciences, engineering and automatic theory, Differential Equations is a bridge between the abstract theory of differential equations and applied systems theory. Particular attention is given to the existence and uniqueness of the Cauchy problem, linear differential systems, stability theory and applications to first-order partial differential equations. Upper undergraduate students and researchers in applied mathematics and systems theory with a background in advanced calculus will find this book particularly useful. Supplementary topics are covered in an appendix enabling the book to be completely self-contained.
Theoretical chemistry periodicities in chemistry and biology
Eyring, Henry
1978-01-01
Theoretical Chemistry: Periodicities in Chemistry and Biology, Volume 4 covers the aspects of theoretical chemistry. The book discusses the stably rotating patterns of reaction and diffusion; the chemistry of inorganic systems exhibiting nonmonotonic behavior; and population cycles. The text also describes the mathematical modeling of excitable media in neurobiology and chemistry; oscillating enzyme reactions; and oscillatory properties and excitability of the heart cell membrane. Selected topics from the theory of physico-chemical instabilities are also encompassed. Chemists, mechanical engin
Ideograms for Physics and Chemistry
García Risueño, Pablo; Syropoulos, Apostolos; Vergés, Natàlia
2016-12-01
Ideograms (symbols that represent a word or idea) have great communicative value. They refer to concepts in a simple manner, easing the understanding of related ideas. Moreover, ideograms can simplify the often cumbersome notation used in the fields of Physics and physical Chemistry. Nonetheless only a few ideograms- like and - have been defined to date. In this work we propose that the scientific community follows the example of Mathematics—as well as that of oriental languages—and bestows a more important role upon ideograms. To support this thesis we propose ideograms for essential concepts in Physics and Chemistry. They are designed to be intuitive, and their goal is to make equations easier to read and understand. Our symbols are included in a publicly available [InlineEquation not available: see fulltext.]package ( svrsymbols).
Desai, KR
2008-01-01
The surface Chemistry of a material as a whole is crucially dependent upon the Nature and type of surfaces exposed on crystallites. It is therefore vitally important to independently Study different, well - defined surfaces through surface analytical techniques. In addition to composition and structure of surface, the subject also provides information on dynamic light scattering, micro emulsions, colloid Stability control and nanostructures. The present book endeavour to bring before the reader that the understanding and exploitation of Solid state phenomena depended largely on the ability to
Why Teach Environmental Chemistry?
Gardner, Marjorie H.
1974-01-01
Discusses the importance of teaching environmental chemistry in secondary school science classes, and outlines five examples of environmental chemistry problems that focus on major concepts of chemistry and have critical implications for human survival and well-being. (JR)
Science Update: Inorganic Chemistry
Rawls, Rebecca
1978-01-01
This first in a series of articles describing the state of the art of various branches of chemistry reviews inorganic chemistry, including bioinorganic, photochemistry, organometallic, and solid state chemistries. (SL)
Multiresolution computational chemistry
Harrison, Robert J [Oak Ridge National Laboratory, PO Box 2008 MS6367, Oak Ridge, TN 37831 (United States); University of Tennessee, Knoxville (United States); Fann, George I [Oak Ridge National Laboratory, PO Box 2008 MS6367, Oak Ridge, TN 37831 (United States); Gan Zhengting [Oak Ridge National Laboratory, PO Box 2008 MS6367, Oak Ridge, TN 37831 (United States); Yanai, Takeshi [Oak Ridge National Laboratory, PO Box 2008 MS6367, Oak Ridge, TN 37831 (United States); Sugiki, Shinichiro [Oak Ridge National Laboratory, PO Box 2008 MS6367, Oak Ridge, TN 37831 (United States); Beste, Ariana [Oak Ridge National Laboratory, PO Box 2008 MS6367, Oak Ridge, TN 37831 (United States); Beylkin, Gregory [University of Tennessee, Knoxville (United States)
2005-01-01
Multiresolution techniques in multiwavelet bases, made practical in three and higher dimensions by separated representations, have enabled significant advances in the accuracy and manner of computation of molecular electronic structure. The mathematical and numerical techniques are described in the article by Fann. This paper summarizes the major accomplishments in computational chemistry which represent the first substantial application of most of these new ideas in three and higher dimensions. These include basis set limit computation with linear scaling for Hartree-Fock and Density Functional Theory with a wide variety of functionals including hybrid and asymptotically corrected forms. Current capabilities include energies, analytic derivatives, and excitation energies from linear response theory. Direct solution in 6-D of the two-particle wave equation has also been demonstrated. These methods are written using MADNESS which provides a high level of composition using functions and operators with guarantees of speed and precision.
Environmental chemistry. Seventh edition
Manahan, S.E. [Univ. of Missouri, Columbia, MO (United States)
1999-11-01
This book presents a basic understanding of environmental chemistry and its applications. In addition to providing updated materials in this field, the book emphasizes the major concepts essential to the practice of environmental chemistry. Topics of discussion include the following: toxicological chemistry; toxicological chemistry of chemical substances; chemical analysis of water and wastewater; chemical analysis of wastes and solids; air and gas analysis; chemical analysis of biological materials and xenobiotics; fundamentals of chemistry; and fundamentals of organic chemistry.
Brown, N.J. [Lawrence Berkeley Laboratory, CA (United States)
1993-12-01
This research is concerned with the development and use of sensitivity analysis tools to probe the response of dependent variables to model input variables. Sensitivity analysis is important at all levels of combustion modeling. This group`s research continues to be focused on elucidating the interrelationship between features in the underlying potential energy surface (obtained from ab initio quantum chemistry calculations) and their responses in the quantum dynamics, e.g., reactive transition probabilities, cross sections, and thermal rate coefficients. The goals of this research are: (i) to provide feedback information to quantum chemists in their potential surface refinement efforts, and (ii) to gain a better understanding of how various regions in the potential influence the dynamics. These investigations are carried out with the methodology of quantum functional sensitivity analysis (QFSA).
Klemperer, William
2011-01-01
The discovery of polar polyatomic molecules in higher-density regions of the interstellar medium by means of their rotational emission detected by radioastronomy has changed our conception of the universe from essentially atomic to highly molecular. We discuss models for molecule formation, emphasizing the general lack of thermodynamic equilibrium. Detailed chemical kinetics is needed to understand molecule formation as well as destruction. Ion molecule reactions appear to be an important class for the generally low temperatures of the interstellar medium. The need for the intrinsically high-quality factor of rotational transitions to definitively pin down molecular emitters has been well established by radioastronomy. The observation of abundant molecular ions both positive and, as recently observed, negative provides benchmarks for chemical kinetic schemes. Of considerable importance in guiding our understanding of astronomical chemistry is the fact that the larger molecules (with more than five atoms) are all organic.
The modified simple equation method for solving some fractional-order nonlinear equations
KAPLAN MELIKE; BEKIR AHMET
2016-07-01
Nonlinear fractional differential equations are encountered in various fields of mathematics, physics, chemistry, biology, engineering and in numerous other applications. Exact solutions of these equations play a crucial role in the proper understanding of the qualitative features of many phenomena and processes in various areas of natural science. Thus, many effective and powerful methods have been established and improved. In this study, we establish exact solutions of the time fractional biological population model equation and nonlinearfractional Klein–Gordon equation by using the modified simple equation method.
Science Update: Inorganic Chemistry.
Rawls, Rebecca
1981-01-01
Describes areas of inorganic chemistry which have changed dramatically in the past year or two, including photochemistry, electrochemistry, organometallic complexes, inorganic reaction theory, and solid state chemistry. (DS)
Federal Laboratory Consortium — Description/History: Chemistry laboratory The Advanced Chemistry Laboratory (ACL) is a unique facility designed for working with the most super toxic compounds known...
Numerical Solution of Parabolic Equations
Østerby, Ole
These lecture notes are designed for a one-semester course on finite-difference methods for parabolic equations. These equations which traditionally are used for describing diffusion and heat-conduction problems in Geology, Physics, and Chemistry have recently found applications in Finance Theory....... Among the special features of this book can be mentioned the presentation of a practical approach to reliable estimates of the global error, including warning signals if the reliability is questionable. The technique is generally applicable for estimating the discretization error in numerical...... approximations which depend on a step size, such as numerical integration and solution of ordinary and partial differential equations. An integral part of the error estimation is the estimation of the order of the method and can thus satisfy the inquisitive mind: Is the order what we expect it to be from theopry...
Tricomi, Francesco Giacomo
1957-01-01
This classic text on integral equations by the late Professor F. G. Tricomi, of the Mathematics Faculty of the University of Turin, Italy, presents an authoritative, well-written treatment of the subject at the graduate or advanced undergraduate level. To render the book accessible to as wide an audience as possible, the author has kept the mathematical knowledge required on the part of the reader to a minimum; a solid foundation in differential and integral calculus, together with some knowledge of the theory of functions is sufficient. The book is divided into four chapters, with two useful
Stochastic partial differential equations
Chow, Pao-Liu
2014-01-01
Preliminaries Introduction Some Examples Brownian Motions and Martingales Stochastic Integrals Stochastic Differential Equations of Itô Type Lévy Processes and Stochastic IntegralsStochastic Differential Equations of Lévy Type Comments Scalar Equations of First Order Introduction Generalized Itô's Formula Linear Stochastic Equations Quasilinear Equations General Remarks Stochastic Parabolic Equations Introduction Preliminaries Solution of Stochastic Heat EquationLinear Equations with Additive Noise Some Regularity Properties Stochastic Reaction-Diffusion Equations Parabolic Equations with Grad
Ideograms for Physics and Chemistry
García-Risueño, Pablo; Verges, Natalia
2016-01-01
Ideograms (symbols that represent a word or idea) have great communicative value. They refer to concepts in a simple manner, easing the understanding of related ideas. Moreover, ideograms can simplify the often cumbersome notation used in the fields of Physics and physical Chemistry. Nonetheless only a few specific ideograms for these fields have been defined to date. In this work we propose that the scientific community follows the example of Mathematics -as well as that of oriental languages- and bestows a more important role upon ideograms. To support this thesis we propose ideograms for essential concepts in Physics and Chemistry. They are designed to be intuitive, and their goal is to make equations easier to read and understand. Our symbols are included in a publicly available Latex package (svrsymbols).
Industrial Chemistry and School Chemistry: Making Chemistry Studies More Relevant
Hofstein, Avi; Kesner, Miri
2006-01-01
In this paper, we present the development and implementation over the period of more than 15 years of learning materials focusing on industrial chemistry as the main theme. The work was conducted in the Department of Science Teaching at the Weizmann Institute of Science, Israel. The project's general goal was to teach chemistry concepts in the…
From Matter to Life:Chemistry?Chemistry!
Jean-Marie; LEHN
2007-01-01
1 Results Animate as well as inanimate matter,living organisms as well as materials,are formed of molecules and of the organized entities resulting from the interaction of molecules with each other.Chemistry provides the bridge between the molecules of inanimate matter and the highly complex molecular architectures and systems which make up living organisms. Synthetic chemistry has developed a very powerful set of methods for constructing ever more complex molecules.Supramolecular chemistry seeks to con...
Green chemistry: A tool in Pharmaceutical Chemistry
Smita Talaviya; Falguni Majumdar
2012-01-01
Green chemistry expresses an area of research developing from scientific discoveries about pollution awareness and it utilizes a set of principles that reduces or eliminates the use or generation of hazardous substances in all steps of particular synthesis or process. Chemists and medicinal scientists can greatly reduce the risk to human health and the environment by following all the valuable principles of green chemistry. The most simple and direct way to apply green chemistry in pharmaceut...
The constructive technique and its application in solving a nonlinear reaction diffusion equation
Lai Shao-Yong; Guo Yun-Xi; Qing Yin; Wu Yong-Hong
2009-01-01
A mathematical technique based on the consideration of a nonlinear partial differential equation together with an additional condition in the form of an ordinary differential equation is employed to study a nonlinear reaction diffusion equation which describes a real process in physics and in chemistry. Several exact solutions for the equation are acquired under certain circumstances.
From Newton's Equation to Fractional Diffusion and Wave Equations
Vázquez Luis
2011-01-01
Full Text Available Fractional calculus represents a natural instrument to model nonlocal (or long-range dependence phenomena either in space or time. The processes that involve different space and time scales appear in a wide range of contexts, from physics and chemistry to biology and engineering. In many of these problems, the dynamics of the system can be formulated in terms of fractional differential equations which include the nonlocal effects either in space or time. We give a brief, nonexhaustive, panoramic view of the mathematical tools associated with fractional calculus as well as a description of some fields where either it is applied or could be potentially applied.
STOMP Subsurface Transport Over Multiple Phases: STOMP-CO2 and STOMP-CO2e Guide: Version 1.0
White, Mark D.; Bacon, Diana H.; McGrail, B. Peter; Watson, David J.; White, Signe K.; Zhang, Z. F.
2012-04-03
This STOMP (Subsurface Transport Over Multiple Phases) guide document describes the theory, use, and application of the STOMP-CO2 and STOMP-CO2e operational modes. These operational modes of the STOMP simulator are configured to solve problems involving the sequestration of CO2 in geologic saline reservoirs. STOMP-CO2 is the isothermal version and STOMP-CO2e is the nonisothermal version. These core operational modes solve the governing conservation equations for component flow and transport through geologic media; where, the STOMP-CO2 components are water, CO2 and salt and the STOMP-CO2e operational mode also includes an energy conservation equation. Geochemistry can be included in the problem solution via the ECKEChem (Equilibrium-Conservation-Kinetic-Equation Chemistry) module, and geomechanics via the EPRMech (Elastic-Plastic-Rock Mechanics) module. This addendum is designed to provide the new user with a full guide for the core capabilities of the STOMP-CO2 and -CO2e simulators, and to provide the experienced user with a quick reference on implementing features. Several benchmark problems are provided in this addendum, which serve as starting points for developing inputs for more complex problems and as demonstrations of the simulator’s capabilities.
Constitutional dynamic chemistry: bridge from supramolecular chemistry to adaptive chemistry.
Lehn, Jean-Marie
2012-01-01
Supramolecular chemistry aims at implementing highly complex chemical systems from molecular components held together by non-covalent intermolecular forces and effecting molecular recognition, catalysis and transport processes. A further step consists in the investigation of chemical systems undergoing self-organization, i.e. systems capable of spontaneously generating well-defined functional supramolecular architectures by self-assembly from their components, thus behaving as programmed chemical systems. Supramolecular chemistry is intrinsically a dynamic chemistry in view of the lability of the interactions connecting the molecular components of a supramolecular entity and the resulting ability of supramolecular species to exchange their constituents. The same holds for molecular chemistry when the molecular entity contains covalent bonds that may form and break reversibility, so as to allow a continuous change in constitution by reorganization and exchange of building blocks. These features define a Constitutional Dynamic Chemistry (CDC) on both the molecular and supramolecular levels.CDC introduces a paradigm shift with respect to constitutionally static chemistry. The latter relies on design for the generation of a target entity, whereas CDC takes advantage of dynamic diversity to allow variation and selection. The implementation of selection in chemistry introduces a fundamental change in outlook. Whereas self-organization by design strives to achieve full control over the output molecular or supramolecular entity by explicit programming, self-organization with selection operates on dynamic constitutional diversity in response to either internal or external factors to achieve adaptation.The merging of the features: -information and programmability, -dynamics and reversibility, -constitution and structural diversity, points to the emergence of adaptive and evolutive chemistry, towards a chemistry of complex matter.
A Process Model for the Comprehension of Organic Chemistry Notation
Havanki, Katherine L.
2012-01-01
This dissertation examines the cognitive processes individuals use when reading organic chemistry equations and factors that affect these processes, namely, visual complexity of chemical equations and participant characteristics (expertise, spatial ability, and working memory capacity). A six stage process model for the comprehension of organic…
无
2000-01-01
@@Chinese Journal of Chemistry is an international journal published in English by the Chinese Chemical Society with its editorial office hosted by Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences.
Federal Laboratory Consortium — Description/History: Chemistry laboratoryThe Advanced Chemistry Laboratory (ACL) is a unique facility designed for working with the most super toxic compounds known...
Organometallic Chemistry of Molybdenum.
Lucas, C. Robert; Walsh, Kelly A.
1987-01-01
Suggests ways to avoid some of the problems students have learning the principles of organometallic chemistry. Provides a description of an experiment used in a third-year college chemistry laboratory on molybdenum. (TW)
Environmental chemistry: Volume A
Yen, T.F.
1999-08-01
This is an extensive introduction to environmental chemistry for engineering and chemical professionals. The contents of Volume A include a brief review of basic chemistry prior to coverage of litho, atmo, hydro, pedo, and biospheres.
Denio, Allen A.
1980-01-01
Relates pottery making to chemistry by providing chemical information about clay, its origin, composition, properties, and changes that occur during firing; also describes glaze compositions, examples of redox chemistry, salt glazing, crystalline glazes, and problems in toxicity. (CS)
Green chemistry: A tool in Pharmaceutical Chemistry
Smita Talaviya
2012-07-01
Full Text Available Green chemistry expresses an area of research developing from scientific discoveries about pollution awareness and it utilizes a set of principles that reduces or eliminates the use or generation of hazardous substances in all steps of particular synthesis or process. Chemists and medicinal scientists can greatly reduce the risk to human health and the environment by following all the valuable principles of green chemistry. The most simple and direct way to apply green chemistry in pharmaceuticals is to utilize eco-friendly, non-hazardous, reproducible and efficient solvents and catalysts in synthesis of drug molecules, drug intermediates and in researches involving synthetic chemistry. Microwave synthesis is also an important tool of green chemistry by being an energy efficient process.
Mun, Seok Sik
2005-02-15
This book deals with organic chemistry experiments, it is divided five chapters, which have introduction, the way to write the experiment report and safety in the laboratory, basic experiment technic like recrystallization and extraction, a lot of organic chemistry experiments such as fischer esterification, ester hydrolysis, electrophilic aromatic substitution, aldol reaction, benzoin condensation, wittig reaction grignard reaction, epoxidation reaction and selective reduction. The last chapter introduces chemistry site on the internet and way to find out reference on chemistry.
American Association for Clinical Chemistry
... older adolescents and adults. Read more IN CLINICAL CHEMISTRY Eliminating Wild-Type DNA in Liquid Biopsies Researchers ... Online Harmonization.net Commission on Accreditation in Clinical Chemistry American Board of Clinical Chemistry Clinical Chemistry Trainee ...
Green Chemistry and Education.
Hjeresen, Dennis L.; Schutt, David L.; Boese, Janet M.
2000-01-01
Many students today are profoundly interested in the sustainability of their world. Introduces Green Chemistry and its principles with teaching materials. Green Chemistry is the use of chemistry for pollution prevention and the design of chemical products and processes that are environmentally benign. (ASK)
Berry, Martyn
1999-01-01
Describes a Chemistry and Art project developed for secondary students and teachers sponsored by the National Gallery and The Royal Society of Chemistry in the United Kingdom. Discusses aspects of the techniques used in creating five paintings as well as the chemistry involved in their making, deterioration, conservation, and restoration.…
Green Chemistry and Education.
Hjeresen, Dennis L.; Schutt, David L.; Boese, Janet M.
2000-01-01
Many students today are profoundly interested in the sustainability of their world. Introduces Green Chemistry and its principles with teaching materials. Green Chemistry is the use of chemistry for pollution prevention and the design of chemical products and processes that are environmentally benign. (ASK)
Physical chemistry of surfaces
Adamson, A.
1990-01-01
This book covers surface chemistry and selected aspects f colloid chemistry. The text covers such areas as structure and thermodynamics of liquid interfaces; electrical aspects of surface chemistry; microscopy and spectroscopy of solid interfaces; nucleation; contact angle; adsorption from solution; friction and adhesion; lubrication; and chemisorption and catalysis.
Computational chemistry research
Levin, Eugene
1987-01-01
Task 41 is composed of two parts: (1) analysis and design studies related to the Numerical Aerodynamic Simulation (NAS) Extended Operating Configuration (EOC) and (2) computational chemistry. During the first half of 1987, Dr. Levin served as a member of an advanced system planning team to establish the requirements, goals, and principal technical characteristics of the NAS EOC. A paper entitled 'Scaling of Data Communications for an Advanced Supercomputer Network' is included. The high temperature transport properties (such as viscosity, thermal conductivity, etc.) of the major constituents of air (oxygen and nitrogen) were correctly determined. The results of prior ab initio computer solutions of the Schroedinger equation were combined with the best available experimental data to obtain complete interaction potentials for both neutral and ion-atom collision partners. These potentials were then used in a computer program to evaluate the collision cross-sections from which the transport properties could be determined. A paper entitled 'High Temperature Transport Properties of Air' is included.
Partial Differential Equations Modeling and Numerical Simulation
Glowinski, Roland
2008-01-01
This book is dedicated to Olivier Pironneau. For more than 250 years partial differential equations have been clearly the most important tool available to mankind in order to understand a large variety of phenomena, natural at first and then those originating from human activity and technological development. Mechanics, physics and their engineering applications were the first to benefit from the impact of partial differential equations on modeling and design, but a little less than a century ago the Schrödinger equation was the key opening the door to the application of partial differential equations to quantum chemistry, for small atomic and molecular systems at first, but then for systems of fast growing complexity. Mathematical modeling methods based on partial differential equations form an important part of contemporary science and are widely used in engineering and scientific applications. In this book several experts in this field present their latest results and discuss trends in the numerical analy...
Goldston, J. W.
This unit introduces analytic solutions of ordinary differential equations. The objective is to enable the student to decide whether a given function solves a given differential equation. Examples of problems from biology and chemistry are covered. Problem sets, quizzes, and a model exam are included, and answers to all items are provided. The…
Ab initio valence calculations in chemistry
Cook, D B
1974-01-01
Ab Initio Valence Calculations in Chemistry describes the theory and practice of ab initio valence calculations in chemistry and applies the ideas to a specific example, linear BeH2. Topics covered include the Schrödinger equation and the orbital approximation to atomic orbitals; molecular orbital and valence bond methods; practical molecular wave functions; and molecular integrals. Open shell systems, molecular symmetry, and localized descriptions of electronic structure are also discussed. This book is comprised of 13 chapters and begins by introducing the reader to the use of the Schrödinge
Quantum theory and chemistry: Two propositions
Aronowitz, S.
1980-01-01
Two propositions concerning quantum chemistry are proposed. First, it is proposed that the nonrelativistic Schroedinger equation, where the Hamiltonian operator is associated with an assemblage of nuclei and electrons, can never be arranged to yield specific molecules in the chemists' sense. It is argued that this result is a necessary condition if the Schroedinger has relevancy to chemistry. Second, once a system is in a particular state with regard to interactions among its components (the assemblage of nuclei and electrons), it cannot spontaneously eliminate any of those interactions. This leads to a subtle form of irreversibility.
Birdi, K S
2013-01-01
Surface chemistry plays an important role in everyday life, as the basis for many phenomena as well as technological applications. Common examples range from soap bubbles, foam, and raindrops to cosmetics, paint, adhesives, and pharmaceuticals. Additional areas that rely on surface chemistry include modern nanotechnology, medical diagnostics, and drug delivery. There is extensive literature on this subject, but most chemistry books only devote one or two chapters to it. Surface Chemistry Essentials fills a need for a reference that brings together the fundamental aspects of surface chemistry w
The New Color of Chemistry: Green Chemistry
Zuhal GERÇEK
2012-01-01
Full Text Available Green chemistry which is the new application of chemistry rules provides solutions to problems that mankind is faced with climate changes, sustainable agriculture, energy, toxics, depletion of natural sources e.g. designing new chemicals and processes that production and utilization of hazardous matters. So, it is the indispensible tool for sustainable development. Current and future chemists should consider the human health and ecological issues in their professional life. In order to provide a solution for this requirement, green chemistry rules and under standings should be primarily taken in the university curriculum and at all educational levels.
Critical Missing Equation of Quantum Physics for Understanding Atomic Structures
Huang, Xiaofei
2013-01-01
This paper presents an optimization approach to explain why and how a quantum system evolves from an arbitrary initial state to a stationary state, satisfying the time-independent Schr\\"{o}dinger equation. It also points out the inaccuracy of this equation, which is critial important in quantum mechanics and quantum chemistry, due to a fundamental flaw in it conflicting with the physical reality. The some directions are suggested on how to modify the equation to fix the problem
Critical Missing Equation of Quantum Physics for Understanding Atomic Structures
Huang, Xiaofei
2015-01-01
This paper presents an optimization approach to explain why and how a quantum system evolves from an arbitrary initial state to a stationary state, satisfying the time-independent Schr\\"{o}dinger equation. It also points out the inaccuracy of this equation, which is critial important in quantum mechanics and quantum chemistry, due to a fundamental flaw in it conflicting with the physical reality. The some directions are suggested on how to modify the equation to fix the problem
New travelling wave solutions for nonlinear stochastic evolution equations
Hyunsoo Kim; Rathinasamy Sakthivel
2013-06-01
The nonlinear stochastic evolution equations have a wide range of applications in physics, chemistry, biology, economics and finance from various points of view. In this paper, the (′/)-expansion method is implemented for obtaining new travelling wave solutions of the nonlinear (2 + 1)-dimensional stochastic Broer–Kaup equation and stochastic coupled Korteweg–de Vries (KdV) equation. The study highlights the significant features of the method employed and its capability of handling nonlinear stochastic problems.
Atmospheric Chemistry Over Southern Africa
Gatebe, Charles K.; Levy, Robert C.; Thompson, Anne M.
2011-01-01
campaigns such as Transport and Atmospheric Chemistry Near the Equator-Atlantic (TRACE-A), Southern African Fire-Atmosphere Research Initiative (SAFARI-92), and Southern African Regional Science Initiative (SAFARI 2000). Since those large international efforts, satellites have matured enough to enable quantifiable measurements of regional land surface, atmosphere, and ocean. In addition, global and chemical transport models have also been advanced to incorporate various data. Thus, the timing of the workshop was right for a full-fledged re-assessment of the chemistry, physics, and socio-economical impacts caused by pollution in the region, including a characterization of sources, deposition, and feedbacks with climate change.
The New Color of Chemistry: Green Chemistry
Zuhal GERÇEK
2012-01-01
Green chemistry which is the new application of chemistry rules provides solutions to problems that mankind is faced with climate changes, sustainable agriculture, energy, toxics, depletion of natural sources e.g. designing new chemicals and processes that production and utilization of hazardous matters. So, it is the indispensible tool for sustainable development. Current and future chemists should consider the human health and ecological issues in their professional life. In order to provid...
Schiesser, William E
2014-01-01
Features a solid foundation of mathematical and computational tools to formulate and solve real-world PDE problems across various fields With a step-by-step approach to solving partial differential equations (PDEs), Differential Equation Analysis in Biomedical Science and Engineering: Partial Differential Equation Applications with R successfully applies computational techniques for solving real-world PDE problems that are found in a variety of fields, including chemistry, physics, biology, and physiology. The book provides readers with the necessary knowledge to reproduce and extend the com
Schiesser, William E
2014-01-01
Features a solid foundation of mathematical and computational tools to formulate and solve real-world ODE problems across various fields With a step-by-step approach to solving ordinary differential equations (ODEs), Differential Equation Analysis in Biomedical Science and Engineering: Ordinary Differential Equation Applications with R successfully applies computational techniques for solving real-worldODE problems that are found in a variety of fields, including chemistry, physics, biology,and physiology. The book provides readers with the necessary knowledge to reproduce andextend the comp
Partial Differential Equations
1988-01-01
The volume contains a selection of papers presented at the 7th Symposium on differential geometry and differential equations (DD7) held at the Nankai Institute of Mathematics, Tianjin, China, in 1986. Most of the contributions are original research papers on topics including elliptic equations, hyperbolic equations, evolution equations, non-linear equations from differential geometry and mechanics, micro-local analysis.
Advanced fuel chemistry for advanced engines.
Taatjes, Craig A.; Jusinski, Leonard E.; Zador, Judit; Fernandes, Ravi X.; Miller, James A.
2009-09-01
Autoignition chemistry is central to predictive modeling of many advanced engine designs that combine high efficiency and low inherent pollutant emissions. This chemistry, and especially its pressure dependence, is poorly known for fuels derived from heavy petroleum and for biofuels, both of which are becoming increasingly prominent in the nation's fuel stream. We have investigated the pressure dependence of key ignition reactions for a series of molecules representative of non-traditional and alternative fuels. These investigations combined experimental characterization of hydroxyl radical production in well-controlled photolytically initiated oxidation and a hybrid modeling strategy that linked detailed quantum chemistry and computational kinetics of critical reactions with rate-equation models of the global chemical system. Comprehensive mechanisms for autoignition generally ignore the pressure dependence of branching fractions in the important alkyl + O{sub 2} reaction systems; however we have demonstrated that pressure-dependent 'formally direct' pathways persist at in-cylinder pressures.
Asymptotic problems for stochastic partial differential equations
Salins, Michael
Stochastic partial differential equations (SPDEs) can be used to model systems in a wide variety of fields including physics, chemistry, and engineering. The main SPDEs of interest in this dissertation are the semilinear stochastic wave equations which model the movement of a material with constant mass density that is exposed to both determinstic and random forcing. Cerrai and Freidlin have shown that on fixed time intervals, as the mass density of the material approaches zero, the solutions of the stochastic wave equation converge uniformly to the solutions of a stochastic heat equation, in probability. This is called the Smoluchowski-Kramers approximation. In Chapter 2, we investigate some of the multi-scale behaviors that these wave equations exhibit. In particular, we show that the Freidlin-Wentzell exit place and exit time asymptotics for the stochastic wave equation in the small noise regime can be approximated by the exit place and exit time asymptotics for the stochastic heat equation. We prove that the exit time and exit place asymptotics are characterized by quantities called quasipotentials and we prove that the quasipotentials converge. We then investigate the special case where the equation has a gradient structure and show that we can explicitly solve for the quasipotentials, and that the quasipotentials for the heat equation and wave equation are equal. In Chapter 3, we study the Smoluchowski-Kramers approximation in the case where the material is electrically charged and exposed to a magnetic field. Interestingly, if the system is frictionless, then the Smoluchowski-Kramers approximation does not hold. We prove that the Smoluchowski-Kramers approximation is valid for systems exposed to both a magnetic field and friction. Notably, we prove that the solutions to the second-order equations converge to the solutions of the first-order equation in an Lp sense. This strengthens previous results where convergence was proved in probability.
Orbital interactions in chemistry
Albright, Thomas A; Whangbo, Myung-Hwan
2013-01-01
Explains the underlying structure that unites all disciplines in chemistry Now in its second edition, this book explores organic, organometallic, inorganic, solid state, and materials chemistry, demonstrating how common molecular orbital situations arise throughout the whole chemical spectrum. The authors explore the relationships that enable readers to grasp the theory that underlies and connects traditional fields of study within chemistry, thereby providing a conceptual framework with which to think about chemical structure and reactivity problems. Orbital Interactions
Sabin, John R
2013-01-01
Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine.Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features
Science Update: Analytical Chemistry.
Worthy, Ward
1980-01-01
Briefly discusses new instrumentation in the field of analytical chemistry. Advances in liquid chromatography, photoacoustic spectroscopy, the use of lasers, and mass spectrometry are also discussed. (CS)
Bishop, David M
1993-01-01
Group theoretical principles are an integral part of modern chemistry. Not only do they help account for a wide variety of chemical phenomena, they simplify quantum chemical calculations. Indeed, knowledge of their application to chemical problems is essential for students of chemistry. This complete, self-contained study, written for advanced undergraduate-level and graduate-level chemistry students, clearly and concisely introduces the subject of group theory and demonstrates its application to chemical problems.To assist chemistry students with the mathematics involved, Professor Bishop ha
Kolopajlo, Larry
2017-02-01
This chapter attempts to show how the practice of chemistry teaching and learning is enriched by the incorporation of green chemistry (GC) into lectures and labs. To support this viewpoint, evidence from a wide range of published papers serve as a cogent argument that GC attracts and engages both science and nonscience students, enhances chemistry content knowledge, and improves the image of the field, while preparing the world for a sustainable future. Published pedagogy associated with green and sustainable chemistry is critically reviewed and discussed.
Elements of environmental chemistry
Hites, R. A; Raff, Jonathan D
2012-01-01
.... Extensively revised, updated, and expanded, this second edition includes new chapters on atmospheric chemistry, climate change, and polychlorinated biphenyls and dioxins, and brominated flame retardants...
An introduction to the Dieterici Equation and the van der Waal Equation
Sheldon, John
2003-11-01
The derivation of the ideal gas law by using the kinetic theory of gases is usually presented in an undergraduate physics thermodynamics texts and physical chemistry texts. Following these derivations is the introduction of nonideal effects and the empirical equations of state: the van der Waals equation and the Dieterici equation. These are sometimes are simply given without comment as to the origin of the terms in them. An introduction to a "derivation" of these equations, appropriate for the undergraduate thermodynamics course, is given herein. Empirical equations are not rigorously derived, but rather they are invented, the so-called derivation simply serves to make the empirical terms appear reasonable.The barometric equation is exploited to get an expression for the effective attractive molecular forces. The differential form of the barometric is derived using kinetic theory, then from the barometric equation we get the Dieterici Equation an expansion of the Dieterici Equation, yields the van der Waals Equation of state. The relationship between the empirical constants is also discussed
Noort, van P.C.M.
2012-01-01
braham solvation equations find widespread use in environmental chemistry. Until now, the intercept in these equations was determined by fitting experimental data. To simplify the determination of the coefficients in Abraham solvation equations, this study derives theoretical expressions for the val
Towards Teaching Chemistry as a Language
Laszlo, Pierre
2013-07-01
This paper presents views on the teaching of chemistry and directions for its further development. A detailed critical analysis is offered for the inadequacy of much of the current teaching, weighed that it is by a conventional, traditional and, as it turns out, rather outdated sense of the material to be covered. The ambient meta-discourse on the nature of chemistry is unduly dominated by the physicalist assumption, believing chemistry to be reducible to physics, which I hold to be unrefutable and thus parascientific. This all-too-tenuous link is countered with a parallel, bolstered by a slew of examples and analogies, between chemistry and linguistics: it is both more legitimate, in terms of the supporting evidence, considerably more effective than a physicalist approach. Chemical teaching needs to hybridize the bottom-up and the top-down communication vectors between the students and their teacher. It can only benefit from infusion of a strong dose of history. Chemistry ought to be taught in like manner to a language, on the dual evidence of the existence of an iconic chemical language, of formulas and equations; and of chemical science being language-like and a combinatorial art.
Henson, R.; Stumbles, A.
1977-01-01
The relationship between mathematics and chemistry has been changing rapidly in recent years. Some chemistry teachers have experienced difficulties in their teaching with the introduction of modern mathematics in the schools. Some suggestions for reinforcing the concepts and language of modern mathematics are put forth. (Author/MA)
Pekdag, Bulent; Le Marechal, Jean-Francois
2010-01-01
This article reviews numerous studies on chemistry movies. Movies, or moving pictures, are important elements of multimedia and signify a privileged or motivating means of presenting knowledge. Studies on chemistry movies show that the first movie productions in this field were devoted to university lectures or documentaries. Shorter movies were…
Physical Chemistry of Molecular
2011-01-01
@@ Established in 2009, the group consists of six researchers and more than 70 research assistants and graduate students from the CAS Key Laboratory of Molecular Nanostructures and Nanotechnologies at the CAS Institute of Chemistry.Its research focuses on the physical chemistry involved in molecular assembly, molecular nanostructures, functional nanomaterials and conceptual nano-devices.
Exercises in Computational Chemistry
Spanget-Larsen, Jens
2016-01-01
A selection of HyperChem© PC-exercises in computational chemistry. Answers to most questions are appended (Roskilde University 2014-16).......A selection of HyperChem© PC-exercises in computational chemistry. Answers to most questions are appended (Roskilde University 2014-16)....
Josephsen, Jens
The present preliminary text is a short thematic presentation in biological inorganic chemistry meant to illustrate general and inorganic (especially coordination) chemistry in biochemistry. The emphasis is on molecular models to explain features of the complicated mechanisms essential to breathing...
Bioorganic and bioinorganic chemistry.
Constable, Edwin C; Housecroft, Catherine E; Creus, Marc; Gademann, Karl; Giese, Bernd; Ward, Thomas R; Woggon, Wolf D; Chougnet, Antoinette
2010-01-01
The interdisciplinary projects in bioinorganic and bioorganic chemistry of the Department of Chemistry, University of Basel led to the preparation of new systems that mimic biologically important processes and to the discovery of compounds from natural sources which are very promising with respect to medical applications. The advances in these areas are reported here.
Exercises in Computational Chemistry
Spanget-Larsen, Jens
2016-01-01
A selection of HyperChem© PC-exercises in computational chemistry. Answers to most questions are appended (Roskilde University 2014-16).......A selection of HyperChem© PC-exercises in computational chemistry. Answers to most questions are appended (Roskilde University 2014-16)....
Chemistry in Microfluidic Channels
Chia, Matthew C.; Sweeney, Christina M.; Odom, Teri W.
2011-01-01
General chemistry introduces principles such as acid-base chemistry, mixing, and precipitation that are usually demonstrated in bulk solutions. In this laboratory experiment, we describe how chemical reactions can be performed in a microfluidic channel to show advanced concepts such as laminar fluid flow and controlled precipitation. Three sets of…
Schulz, W.W.
1976-01-01
Essential features of the descriptive chemistry of americium are reviewed. Chapter titles are: discovery, atomic and nuclear properties, collateral reading, production and uses, chemistry in aqueous solution, metal, alloys, and compounds, and, recovery, separation, purification. Author and subject indexes are included. (JCB)
Biosynthetic inorganic chemistry.
Lu, Yi
2006-08-25
Inorganic chemistry and biology can benefit greatly from each other. Although synthetic and physical inorganic chemistry have been greatly successful in clarifying the role of metal ions in biological systems, the time may now be right to utilize biological systems to advance coordination chemistry. One such example is the use of small, stable, easy-to-make, and well-characterized proteins as ligands to synthesize novel inorganic compounds. This biosynthetic inorganic chemistry is possible thanks to a number of developments in biology. This review summarizes the progress in the synthesis of close models of complex metalloproteins, followed by a description of recent advances in using the approach for making novel compounds that are unprecedented in either inorganic chemistry or biology. The focus is mainly on synthetic "tricks" learned from biology, as well as novel structures and insights obtained. The advantages and disadvantages of this biosynthetic approach are discussed.
Art in Chemistry; Chemistry in Art.
Greenberg, Barbara R.; Patterson, Dianne
High school teachers are often challenged to motivate students who have little or no interest in a subject and are bored with traditional instruction. This unique book is designed to help educators make chemistry classes more interesting and links art curriculum to practical applications, integrating the two subjects through scores of hands-on…
Korean Kimchi Chemistry: A Multicultural Chemistry Connection
Murfin, Brian
2009-01-01
Connecting science with different cultures is one way to interest students in science, to relate science to their lives, and at the same time to broaden their horizons in a variety of ways. In the lesson described here, students make kimchi, a delicious and popular Korean dish that can be used to explore many important chemistry concepts,…
Kinetic energy equations for the average-passage equation system
Johnson, Richard W.; Adamczyk, John J.
1989-01-01
Important kinetic energy equations derived from the average-passage equation sets are documented, with a view to their interrelationships. These kinetic equations may be used for closing the average-passage equations. The turbulent kinetic energy transport equation used is formed by subtracting the mean kinetic energy equation from the averaged total instantaneous kinetic energy equation. The aperiodic kinetic energy equation, averaged steady kinetic energy equation, averaged unsteady kinetic energy equation, and periodic kinetic energy equation, are also treated.
Kinetic energy equations for the average-passage equation system
Johnson, Richard W.; Adamczyk, John J.
1989-01-01
Important kinetic energy equations derived from the average-passage equation sets are documented, with a view to their interrelationships. These kinetic equations may be used for closing the average-passage equations. The turbulent kinetic energy transport equation used is formed by subtracting the mean kinetic energy equation from the averaged total instantaneous kinetic energy equation. The aperiodic kinetic energy equation, averaged steady kinetic energy equation, averaged unsteady kinetic energy equation, and periodic kinetic energy equation, are also treated.
Solving Nonlinear Wave Equations by Elliptic Equation
FU Zun-Tao; LIU Shi-Da; LIU Shi-Kuo
2003-01-01
The elliptic equation is taken as a transformation and applied to solve nonlinear wave equations. It is shown that this method is more powerful to give more kinds of solutions, such as rational solutions, solitary wave solutions,periodic wave solutions and so on, so it can be taken as a generalized method.
Dewitt, L.V.; Gibbs, A.; Lambert, D.P.; Bohrer, S.R.; Fanning, R.L.; Houston, M.W.; Stinson, S.L.; Deible, R.W.; Abdel-Khalik, S.I.
1990-11-01
Over the past fifteen months, the Systems Chemistry Group of the Reactor Engineering Department has undertaken a comprehensive study of the Department`s moderator chemistry program at Savannah River Site (SRS). An internal review was developed to formalize and document this program. Objectives were as outlined in a mission statement and action plan. In addition to the mission statement and action plan, nine separate task reports have been issued during the course of this study. Each of these task reports is included in this document as a chapter. This document is an organized compilation of the individual reports issued by the Systems Chemistry Group in assessment of SRS moderator chemistry to determine if there were significant gaps in the program as ft existed in October, 1989. While these reviews found no significant gaps in that mode of operation, or any items that adversely affected safety, items were identified that could be improved. Many of the items have already been dear with or are in the process of completion under this Moderator Chemistry Program and other Reactor Restart programs. A complete list of the items of improvement found under this assessment is found in Chapter 9, along with a proposed time table for correcting remaining items that can be improved for the chemistry program of SRS reactors. An additional external review of the moderator chemistry processes, recommendations, and responses to/from the Reactor Corrosion Mitigation Committee is included as Appendix to this compilation.
Dewitt, L.V.; Gibbs, A.; Lambert, D.P.; Bohrer, S.R.; Fanning, R.L.; Houston, M.W.; Stinson, S.L.; Deible, R.W.; Abdel-Khalik, S.I.
1990-11-01
Over the past fifteen months, the Systems Chemistry Group of the Reactor Engineering Department has undertaken a comprehensive study of the Department's moderator chemistry program at Savannah River Site (SRS). An internal review was developed to formalize and document this program. Objectives were as outlined in a mission statement and action plan. In addition to the mission statement and action plan, nine separate task reports have been issued during the course of this study. Each of these task reports is included in this document as a chapter. This document is an organized compilation of the individual reports issued by the Systems Chemistry Group in assessment of SRS moderator chemistry to determine if there were significant gaps in the program as ft existed in October, 1989. While these reviews found no significant gaps in that mode of operation, or any items that adversely affected safety, items were identified that could be improved. Many of the items have already been dear with or are in the process of completion under this Moderator Chemistry Program and other Reactor Restart programs. A complete list of the items of improvement found under this assessment is found in Chapter 9, along with a proposed time table for correcting remaining items that can be improved for the chemistry program of SRS reactors. An additional external review of the moderator chemistry processes, recommendations, and responses to/from the Reactor Corrosion Mitigation Committee is included as Appendix to this compilation.
Mathematics for physical chemistry
Mortimer, Robert G
2013-01-01
Mathematics for Physical Chemistry is the ideal supplementary text for practicing chemists and students who want to sharpen their mathematics skills while enrolled in general through physical chemistry courses. This book specifically emphasizes the use of mathematics in the context of physical chemistry, as opposed to being simply a mathematics text. This 4e includes new exercises in each chapter that provide practice in a technique immediately after discussion or example and encourage self-study. The early chapters are constructed around a sequence of mathematical topics, wit
Bowers, Michael T
1979-01-01
Gas Phase Ion Chemistry, Volume 1 covers papers on the advances of gas phase ion chemistry. The book discusses the advances in flow tubes and the measurement of ion-molecule rate coefficients and product distributions; the ion chemistry of the earth's atmosphere; and the classical ion-molecule collision theory. The text also describes statistical methods in reaction dynamics; the state selection by photoion-photoelectron coincidence; and the effects of temperature and pressure in the kinetics of ion-molecule reactions. The energy distribution in the unimolecular decomposition of ions, as well
Spatially Resolved Artificial Chemistry
Fellermann, Harold
2009-01-01
Although spatial structures can play a crucial role in chemical systems and can drastically alter the outcome of reactions, the traditional framework of artificial chemistry is a well-stirred tank reactor with no spatial representation in mind. Advanced method development in physical chemistry has...... made a class of models accessible to the realms of artificial chemistry that represent reacting molecules in a coarse-grained fashion in continuous space. This chapter introduces the mathematical models of Brownian dynamics (BD) and dissipative particle dynamics (DPD) for molecular motion and reaction...
Fluorine in medicinal chemistry.
Swallow, Steven
2015-01-01
Since its first use in the steroid field in the late 1950s, the use of fluorine in medicinal chemistry has become commonplace, with the small electronegative fluorine atom being a key part of the medicinal chemist's repertoire of substitutions used to modulate all aspects of molecular properties including potency, physical chemistry and pharmacokinetics. This review will highlight the special nature of fluorine, drawing from a survey of marketed fluorinated pharmaceuticals and the medicinal chemistry literature, to illustrate key concepts exploited by medicinal chemists in their attempts to optimize drug molecules. Some of the potential pitfalls in the use of fluorine will also be highlighted.
Experiments in physical chemistry
Wilson, J M; Denaro, A R
1968-01-01
Experiments in Physical Chemistry, Second Edition provides a compilation of experiments concerning physical chemistry. This book illustrates the link between the theory and practice of physical chemistry. Organized into three parts, this edition begins with an overview of those experiments that generally have a simple theoretical background. Part II contains experiments that are associated with more advanced theory or more developed techniques, or which require a greater degree of experimental skill. Part III consists of experiments that are in the nature of investigations wherein these invest
Introduction to differential equations
Taylor, Michael E
2011-01-01
The mathematical formulations of problems in physics, economics, biology, and other sciences are usually embodied in differential equations. The analysis of the resulting equations then provides new insight into the original problems. This book describes the tools for performing that analysis. The first chapter treats single differential equations, emphasizing linear and nonlinear first order equations, linear second order equations, and a class of nonlinear second order equations arising from Newton's laws. The first order linear theory starts with a self-contained presentation of the exponen
The Modified Magnetohydrodynamical Equations
EvangelosChaliasos
2003-01-01
After finding the really self-consistent electromagnetic equations for a plasma, we proceed in a similar fashion to find how the magnetohydrodynamical equations have to be modified accordingly. Substantially this is done by replacing the "Lorentz" force equation by the correct (in our case) force equation. Formally we have to use the vector potential instead of the magnetic field intensity. The appearance of the formulae presented is the one of classical vector analysis. We thus find a set of eight equations in eight unknowns, as previously known concerning the traditional MHD equations.
Exploring the Mastery of French Students in Using Basic Notions of the Language of Chemistry
Canac, Sophie; Kermen, Isabelle
2016-01-01
Learning chemistry includes learning the language of chemistry (names, formulae, symbols, and chemical equations) which has to be done in connection with the other areas of chemical knowledge. In this study we investigate how French students understand and use names (of chemical species and common mixtures) and chemical formulae. We set a paper…
Enzymes in Analytical Chemistry.
Fishman, Myer M.
1980-01-01
Presents tabular information concerning recent research in the field of enzymes in analytic chemistry, with methods, substrate or reaction catalyzed, assay, comments and references listed. The table refers to 128 references. Also listed are 13 general citations. (CS)
Peter Atkins
2006-03-01
Full Text Available Though hard going for the general reader and highly personal in its selectivity, Elegant Solutions: Ten Beautiful Experiments in Chemistry provides reflections of a thoughtful author that will delight chemists
Jeremy. K.M. Sanders
2007-06-01
Full Text Available A new book introduces young researchers to supramolecular chemistry, starting from the basics and working up to the more complicated aspects of the topic. While the text is inspiring for new graduates, it lacks a critical view.
Microfluidics in inorganic chemistry.
Abou-Hassan, Ali; Sandre, Olivier; Cabuil, Valérie
2010-08-23
The application of microfluidics in chemistry has gained significant importance in the recent years. Miniaturized chemistry platforms provide controlled fluid transport, rapid chemical reactions, and cost-saving advantages over conventional reactors. The advantages of microfluidics have been clearly established in the field of analytical and bioanalytical sciences and in the field of organic synthesis. It is less true in the field of inorganic chemistry and materials science; however in inorganic chemistry it has mostly been used for the separation and selective extraction of metal ions. Microfluidics has been used in materials science mainly for the improvement of nanoparticle synthesis, namely metal, metal oxide, and semiconductor nanoparticles. Microfluidic devices can also be used for the formulation of more advanced and sophisticated inorganic materials or hybrids.
Menger, Fredric M
2010-09-01
It might come as a disappointment to some chemists, but just as there are uncertainties in physics and mathematics, there are some chemistry questions we may never know the answer to either, suggests Fredric M. Menger.
The chemical makeup of the soil can provide information on wetland condition, wetland water quality and services being provided by the wetland ecosystem. Analyzing soil chemistry reveals if the soil is contaminated with a toxic chemical or heavy metal.
Sato, Sanae; Majoros, Bela
1988-01-01
Reports two methods for interesting children in chemistry. Describes a method for producing large soap bubbles and films for study. Examines the use of simple stories to explain common chemical concepts with example given. Lists titles of available stories. (ML)
Supplemental instruction in chemistry
Lundeberg, Mary A.
This study was designed to measure some effects of supplemental instruction in chemistry. Supplemental instruction is a peer-led cooperative learning program that encourages students to develop conceptual understanding by articulating both understandings and misconceptions in a think-aloud fashion. Supplemental instruction was offered three hours weekly outside of class and lab time for students in four classes of General Organic and Biological Chemistry. Over a two-year period 108 students volunteered to participate in this program; 45 students did not participate. As measured by final grades in chemistry and responses to a questionnaire, supplemental instruction was effective in increasing students' achievement in chemistry. Further research is needed to determine the in-depth effects of supplemental instruction on students' learning, problem solving, and self-esteem.
Water Chemistry: Seeking Information
Delfino, Joseph J.
1977-01-01
A survey of the available literature in water chemistry is presented. Materials surveyed include: texts, reference books, bibliographic resources, journals, American Chemical Society publications, proceedings, unpublished articles, and reports. (BT)
2010-01-01
The applications of molecular surface chemistry in heterogeneous catalyst technology, semiconductor-based technology, medical technology, anticorrosion and lubricant technology, and nanotechnology are highlighted in this perspective. The evolution of surface chemistry at the molecular level is reviewed, and the key roles of surface instrumentation developments for in situ studies of the gas–solid, liquid–solid, and solid–solid interfaces under reaction conditions are emphasized.
Somorjai, Gabor A.; Li, Yimin
2011-01-01
The applications of molecular surface chemistry in heterogeneous catalyst technology, semiconductor-based technology, medical technology, anticorrosion and lubricant technology, and nanotechnology are highlighted in this perspective. The evolution of surface chemistry at the molecular level is reviewed, and the key roles of surface instrumentation developments for in situ studies of the gas–solid, liquid–solid, and solid–solid interfaces under reaction conditions are emphasized. PMID:20880833
Applications of supramolecular chemistry
Schneider, Hans-Jörg
2012-01-01
""The time is ripe for the present volume, which gathers thorough presentations of the numerous actually realized or potentially accessible applications of supramolecular chemistry by a number of the leading figures in the field. The variety of topics covered is witness to the diversity of the approaches and the areas of implementation…a broad and timely panorama of the field assembling an eminent roster of contributors.""-Jean-Marie Lehn, 1987 Noble Prize Winner in Chemistry
Bowers, Michael T
1979-01-01
Gas Phase Ion Chemistry, Volume 2 covers the advances in gas phase ion chemistry. The book discusses the stabilities of positive ions from equilibrium gas-phase basicity measurements; the experimental methods used to determine molecular electron affinities, specifically photoelectron spectroscopy, photodetachment spectroscopy, charge transfer, and collisional ionization; and the gas-phase acidity scale. The text also describes the basis of the technique of chemical ionization mass spectrometry; the energetics and mechanisms of unimolecular reactions of positive ions; and the photodissociation
EPA Environmental Chemistry Laboratory
1993-01-01
The Environmental Protection Agency's (EPA) Chemistry Laboratory (ECL) is a national program laboratory specializing in residue chemistry analysis under the jurisdiction of the EPA's Office of Pesticide Programs in Washington, D.C. At Stennis Space Center, the laboratory's work supports many federal anti-pollution laws. The laboratory analyzes environmental and human samples to determine the presence and amount of agricultural chemicals and related substances. Pictured, ECL chemists analyze environmental and human samples for the presence of pesticides and other pollutants.
El-Sagheer, Afaf H.; Brown, Tom
2010-01-01
The advent of click chemistry has led to an influx of new ideas in the nucleic acids field. The copper catalysed alkyne–azide cycloaddition (CuAAC) reaction is the method of choice for DNA click chemistry due to its remarkable efficiency. It has been used to label oligonucleotides with fluorescent dyes, sugars, peptides and other reporter groups, to cyclise DNA, to synthesise DNA catenanes, to join oligonucleotides to PNA, and to produce analogues of DNA with modified nucleobases and backbone...
GERÇEK, Zuhal
2012-01-01
Increasing the types of terrorism and crime nowadays, the importance of the forensic sciences can be bett er understood. Forensic science is the application of the wide spectrum of science to answer the question of legal system. It contains the application of the principles, techniques and methods of basic sciences and its main aim is the determination of the physical facts which are important in legal situations. Forensic chemistry is the branch of chemistry which performs the chemical analy...
Fundamentals of quantum chemistry
House, J E
2004-01-01
An introduction to the principles of quantum mechanics needed in physical chemistry. Mathematical tools are presented and developed as needed and only basic calculus, chemistry, and physics is assumed. Applications include atomic and molecular structure, spectroscopy, alpha decay, tunneling, and superconductivity. New edition includes sections on perturbation theory, orbital symmetry of diatomic molecules, the Huckel MO method and Woodward/Hoffman rules as well as a new chapter on SCF and Hartree-Fock methods. * This revised text clearly presents basic q
George F R Ellis
2007-07-01
The Raychaudhuri equation is central to the understanding of gravitational attraction in astrophysics and cosmology, and in particular underlies the famous singularity theorems of general relativity theory. This paper reviews the derivation of the equation, and its significance in cosmology.
Beginning partial differential equations
O'Neil, Peter V
2014-01-01
A broad introduction to PDEs with an emphasis on specialized topics and applications occurring in a variety of fields Featuring a thoroughly revised presentation of topics, Beginning Partial Differential Equations, Third Edition provides a challenging, yet accessible,combination of techniques, applications, and introductory theory on the subjectof partial differential equations. The new edition offers nonstandard coverageon material including Burger's equation, the telegraph equation, damped wavemotion, and the use of characteristics to solve nonhomogeneous problems. The Third Edition is or
Renormalizing Partial Differential Equations
Bricmont, J.; Kupiainen, A.
1994-01-01
In this review paper, we explain how to apply Renormalization Group ideas to the analysis of the long-time asymptotics of solutions of partial differential equations. We illustrate the method on several examples of nonlinear parabolic equations. We discuss many applications, including the stability of profiles and fronts in the Ginzburg-Landau equation, anomalous scaling laws in reaction-diffusion equations, and the shape of a solution near a blow-up point.
Ordinary differential equations
Greenberg, Michael D
2014-01-01
Features a balance between theory, proofs, and examples and provides applications across diverse fields of study Ordinary Differential Equations presents a thorough discussion of first-order differential equations and progresses to equations of higher order. The book transitions smoothly from first-order to higher-order equations, allowing readers to develop a complete understanding of the related theory. Featuring diverse and interesting applications from engineering, bioengineering, ecology, and biology, the book anticipates potential difficulties in understanding the various solution steps
LEGO-Method--New Strategy for Chemistry Calculation
Molnar, Jozsef; Molnar-Hamvas, Livia
2011-01-01
The presented strategy of chemistry calculation is based on mole-concept, but it uses only one fundamental relationship of the amounts of substance as a basic panel. The name of LEGO-method comes from the famous toy of LEGO[R] because solving equations by grouping formulas is similar to that. The relations of mole and the molar amounts, as small…
Relativistic quantum chemistry on quantum computers
Veis, L.; Visnak, J.; Fleig, T.
2012-01-01
The past few years have witnessed a remarkable interest in the application of quantum computing for solving problems in quantum chemistry more efficiently than classical computers allow. Very recently, proof-of-principle experimental realizations have been reported. However, so far only...... the nonrelativistic regime (i.e., the Schrodinger equation) has been explored, while it is well known that relativistic effects can be very important in chemistry. We present a quantum algorithm for relativistic computations of molecular energies. We show how to efficiently solve the eigenproblem of the Dirac......-Coulomb Hamiltonian on a quantum computer and demonstrate the functionality of the proposed procedure by numerical simulations of computations of the spin-orbit splitting in the SbH molecule. Finally, we propose quantum circuits with three qubits and nine or ten controlled-NOT (CNOT) gates, which implement a proof...
The Modified Magnetohydrodynamical Equations
Evangelos Chaliasos
2003-01-01
After finding the really self-consistent electromagnetic equations for a plasma, we proceed in a similarfashion to find how the magnetohydrodynamical equations have to be modified accordingly. Substantially this is doneby replacing the "Lorentz" force equation by the correct (in our case) force equation. Formally we have to use the vectorpotential instead of the magnetic field intensity. The appearance of the formulae presented is the one of classical vectoranalysis. We thus find a set of eight equations in eight unknowns, as previously known concerning the traditional MHDequations.
Singular stochastic differential equations
Cherny, Alexander S
2005-01-01
The authors introduce, in this research monograph on stochastic differential equations, a class of points termed isolated singular points. Stochastic differential equations possessing such points (called singular stochastic differential equations here) arise often in theory and in applications. However, known conditions for the existence and uniqueness of a solution typically fail for such equations. The book concentrates on the study of the existence, the uniqueness, and, what is most important, on the qualitative behaviour of solutions of singular stochastic differential equations. This is done by providing a qualitative classification of isolated singular points, into 48 possible types.
Fractional Differential Equations
Jianping Zhao
2012-01-01
Full Text Available An extended fractional subequation method is proposed for solving fractional differential equations by introducing a new general ansätz and Bäcklund transformation of the fractional Riccati equation with known solutions. Being concise and straightforward, this method is applied to the space-time fractional coupled Burgers’ equations and coupled MKdV equations. As a result, many exact solutions are obtained. It is shown that the considered method provides a very effective, convenient, and powerful mathematical tool for solving fractional differential equations.
Propagating the Kadanoff-Baym equations for atoms and molecules
Dahlen, Nils Erik; Stan, Adrian; Bonitz, M; Filinov, A
2006-01-01
While the use of Green's function techniques has a long tradition in quantum chemistry, the possibility of propagating the Kadanoff-Baym equations has remained largely unexplored. We have implemented the time-propagation for atoms and diatomic molecules, starting from a system in the groundstate. Th
Propagating the Kadanoff-Baym equations for atoms
Dahlen, Nils Erik; Stan, Adrian
2006-01-01
While the use of Green’s function techniques has a long tradition in quantum chemistry, the possibility of propagating the Kadanoff-Baym equations has remained largely unexplored. We have implemented the time-propagation for atoms and diatomic molecules, starting from a system in the groundstate. Th
A hybrid moment equation approach to gas-grain chemical modeling
Du, Fujun
2011-01-01
[Context] The stochasticity of grain chemistry requires special care in modeling. Previously methods based on the modified rate equation, the master equation, the moment equation, and Monte Carlo simulations have been used. [Aims] We attempt to develop a systematic and efficient way to model the gas-grain chemistry with a large reaction network as accurately as possible. [Methods] We present a hybrid moment equation approach which is a general and automatic method where the generating function is used to generate the moment equations. For large reaction networks, the moment equation is cut off at the second order, and a switch scheme is used when the average population of certain species reaches 1. For small networks, the third order moments can also be utilized to achieve a higher accuracy. [Results] For physical conditions in which the surface reactions are important, our method provides a major improvement over the rate equation approach, when benchmarked against the rigorous Monte Carlo results. For eithe...
Brandt, Werner W
2003-05-01
Chemistry is often thought to be quite factual, and therefore might be considered close to the "positivist" ideal of a value-free science. A closer look, however, reveals that the field is coupled to the invisible realm of values, meanings, and purpose in various ways, and chemists interact with that realm loosely and unevenly. Tacit knowledge is one important locus of such interactions. We are concerned in this essay with two questions. What is the nature of the knowledge when we are in the early stages of discovery? and In what ways does the hidden reality we are seeking affect our search for an understanding of it? The first question is partly answered by Polanyi's theory of tacit knowledge, while the second one leads us to realize the limitations of our language when discussing "reality"-or certain chemical experimental results. A strictly positivist approach is of little use, but so is the opposite, the complete disregard of facts. The contrast between positivism and non-formulable aspects of scientific reasoning amounts to a paradox that needs to be analyzed and can lead to a "connected" chemistry. This in turn resembles networks described by Schweber and is more concerned than the chemistry "as it is" with aspects such as the image of chemistry, the challenges chemists face as citizens, and chemistry in liberal education.
Mathematics for physical chemistry
Mortimer, Robert G
2005-01-01
Mathematics for Physical Chemistry, Third Edition, is the ideal text for students and physical chemists who want to sharpen their mathematics skills. It can help prepare the reader for an undergraduate course, serve as a supplementary text for use during a course, or serve as a reference for graduate students and practicing chemists. The text concentrates on applications instead of theory, and, although the emphasis is on physical chemistry, it can also be useful in general chemistry courses. The Third Edition includes new exercises in each chapter that provide practice in a technique immediately after discussion or example and encourage self-study. The first ten chapters are constructed around a sequence of mathematical topics, with a gradual progression into more advanced material. The final chapter discusses mathematical topics needed in the analysis of experimental data.* Numerous examples and problems interspersed throughout the presentations * Each extensive chapter contains a preview, objectives, and ...
Uranium triamidoamine chemistry.
Gardner, Benedict M; Liddle, Stephen T
2015-07-01
Triamidoamine (Tren) complexes of the p- and d-block elements have been well-studied, and they display a diverse array of chemistry of academic, industrial and biological significance. Such in-depth investigations are not as widespread for Tren complexes of uranium, despite the general drive to better understand the chemical behaviour of uranium by virtue of its fundamental position within the nuclear sector. However, the chemistry of Tren-uranium complexes is characterised by the ability to stabilise otherwise reactive, multiply bonded main group donor atom ligands, construct uranium-metal bonds, promote small molecule activation, and support single molecule magnetism, all of which exploit the steric, electronic, thermodynamic and kinetic features of the Tren ligand system. This Feature Article presents a current account of the chemistry of Tren-uranium complexes.
Brimblecombe, Peter
1996-01-01
This book is about the atmosphere and humanity's influence on it. For this new edition, Brimblecombe has rewritten and updated much of the book. In the early chapters, he discusses the geochemical, biological and maritime sources of the trace gases. Next, he examines the chemistry of atmospheric gases, suspended particles, and rainfall. After dealing with the natural atmosphere, he examines the sources of air pollution and its effects, with all scenarios updated from the last edition. Scenarios include decline in health, damage to plants and animals, indoor pollution, and acid rain. The final chapters, also revised, are concerned with the chemistry and evolution of the atmospheres of the planets of the solar system. Students with an interest in chemistry and the environmental sciences will find this book highly valuable.
NONE
1997-01-01
It is truly ironic that a synthetic organic chemist likely has far greater knowledge of the reaction chemistry of cerium(IV) than an inorganic colleague. Cerium(IV) reagents have long since been employed as oxidants in effecting a wide variety of organic transformations. Conversely, prior to the late 1980s, the number of well characterized cerium(IV) complexes did not extend past a handful of known species. Though in many other areas, interest in the molecular chemistry of the 4f-elements has undergone an explosive growth over the last twenty years, the chemistry of cerium(IV) has for the most part been overlooked. This report describes reactions of cerium complexes and structure.
NONE
1997-01-01
It is truly ironic that a synthetic organic chemist likely has far greater knowledge of the reaction chemistry of cerium(IV) than an inorganic colleague. Cerium(IV) reagents have long since been employed as oxidants in effecting a wide variety of organic transformations. Conversely, prior to the late 1980s, the number of well characterized cerium(IV) complexes did not extend past a handful of known species. Though in many other areas, interest in the molecular chemistry of the 4f-elements has undergone an explosive growth over the last twenty years, the chemistry of cerium(IV) has for the most part been overlooked. This report describes reactions of cerium complexes and structure.
McWeeny, Roy
2004-01-01
Originally delivered as a series of lectures, this volume systematically traces the evolution of the ""spin"" concept from its role in quantum mechanics to its assimilation into the field of chemistry. Author Roy McWeeny presents an in-depth illustration of the deductive methods of quantum theory and their application to spins in chemistry, following the path from the earliest concepts to the sophisticated physical methods employed in the investigation of molecular structure and properties. Starting with the origin and development of the spin concept, the text advances to an examination of sp
Le Tiec, Yannick
2013-01-01
Microelectronics is a complex world where many sciences need to collaborate to create nano-objects: we need expertise in electronics, microelectronics, physics, optics and mechanics also crossing into chemistry, electrochemistry, as well as biology, biochemistry and medicine. Chemistry is involved in many fields from materials, chemicals, gases, liquids or salts, the basics of reactions and equilibrium, to the optimized cleaning of surfaces and selective etching of specific layers. In addition, over recent decades, the size of the transistors has been drastically reduced while the functionalit
Schummer, Joachim
2003-03-01
Although chemistry is by far the largest scientific discipline according to any quantitative measure, it had, until recently, been virtually ignored by professional philosophers of science. They left both a vacuum and a one-sided picture of science tailored to physics. Since the early 1990s, the situation has changed drastically, such that philosophy of chemistry is now one of the most flourishing fields in the philosophy of science, like the philosophy of biology that emerged in the 1970s. This article narrates the development and provides a survey of the main topics and trends.
SRD 69 NIST Chemistry WebBook (Web, free access) The NIST Chemistry WebBook contains: Thermochemical data for over 7000 organic and small inorganic compounds; thermochemistry data for over 8000 reactions; IR spectra for over 16,000 compounds; mass spectra for over 33,000 compounds; UV/Vis spectra for over 1600 compounds; electronic and vibrational spectra for over 5000 compounds; constants of diatomic molecules(spectroscopic data) for over 600 compounds; ion energetics data for over 16,000 compounds; thermophysical property data for 74 fluids.
Okoroanyanwu, Uzodinma
2011-01-01
This is a unique book, combining chemistry and physics with technology and history in a way that is both enlightening and lively. No other book in the field of lithography has as much breadth. Highly recommended for anyone interested in the broad application of chemistry to lithography. --Chris Mack, Gentleman Scientist. This book provides a comprehensive treatment of the chemical phenomena in lithography in a manner that is accessible to a wide readership. The book presents topics on the optical and charged particle physics practiced in lithography, with a broader view of how the marriage bet
Rochow, E G; Emeléus, H J; Nyholm, Ronald
1975-01-01
Pergamon Texts in Organic Chemistry, Volume 9: The Chemistry of Silicon presents information essential in understanding the chemical properties of silicon. The book first covers the fundamental aspects of silicon, such as its nuclear, physical, and chemical properties. The text also details the history of silicon, its occurrence and distribution, and applications. Next, the selection enumerates the compounds and complexes of silicon, along with organosilicon compounds. The text will be of great interest to chemists and chemical engineers. Other researchers working on research study involving s
Dynamic Combinatorial Chemistry
Lisbjerg, Micke
This thesis is divided into seven chapters, which can all be read individually. The first chapter, however, contains a general introduction to the chemistry used in the remaining six chapters, and it is therefore recommended to read chapter one before reading the other chapters. Chapter 1...... is a general introductory chapter for the whole thesis. The history and concepts of dynamic combinatorial chemistry are described, as are some of the new and intriguing results recently obtained. Finally, the properties of a broad range of hexameric macrocycles are described in detail. Chapter 2 gives...
Dynamic Combinatorial Chemistry
Lisbjerg, Micke
This thesis is divided into seven chapters, which can all be read individually. The first chapter, however, contains a general introduction to the chemistry used in the remaining six chapters, and it is therefore recommended to read chapter one before reading the other chapters. Chapter 1...... is a general introductory chapter for the whole thesis. The history and concepts of dynamic combinatorial chemistry are described, as are some of the new and intriguing results recently obtained. Finally, the properties of a broad range of hexameric macrocycles are described in detail. Chapter 2 gives...
Buncel, Erwin
2015-01-01
This book introduces the concepts, theory and experimental knowledge concerning solvent effects on the rate and equilibrium of chemical reactions of all kinds. It begins with basic thermodynamics and kinetics, building on this foundation to demonstrate how a more detailed understanding of these effects may be used to aid in determination of reaction mechanisms, and to aid in planning syntheses. Consideration is given to theoretical calculations (quantum chemistry, molecular dynamics, etc.), to statistical methods (chemometrics), and to modern day concerns such as ""green"" chemistry, where ut
Progress in physical chemistry
Hempelmann, Rolf
2008-01-01
Progress in Physical Chemistry is a collection of recent ""Review Articles"" published in the ""Zeitschrift für Physikalische Chemie"". The second volume of Progress in Physical Chemistry is a collection of thematically closely related minireview articles written by the members of the Collaborative Research Centre (SFB) 277 of the German Research Foundation (DFG). These articles are based on twelve years of intense coordinated research efforts. Central topics are the synthesis and the characterization of interface-dominated, i.e. nanostructured materials, mainly in the solid state but also as
Wei Khim Ng
2009-02-01
Full Text Available We construct nonlinear extensions of Dirac's relativistic electron equation that preserve its other desirable properties such as locality, separability, conservation of probability and Poincaré invariance. We determine the constraints that the nonlinear term must obey and classify the resultant non-polynomial nonlinearities in a double expansion in the degree of nonlinearity and number of derivatives. We give explicit examples of such nonlinear equations, studying their discrete symmetries and other properties. Motivated by some previously suggested applications we then consider nonlinear terms that simultaneously violate Lorentz covariance and again study various explicit examples. We contrast our equations and construction procedure with others in the literature and also show that our equations are not gauge equivalent to the linear Dirac equation. Finally we outline various physical applications for these equations.
Partial differential equations
Evans, Lawrence C
2010-01-01
This text gives a comprehensive survey of modern techniques in the theoretical study of partial differential equations (PDEs) with particular emphasis on nonlinear equations. The exposition is divided into three parts: representation formulas for solutions; theory for linear partial differential equations; and theory for nonlinear partial differential equations. Included are complete treatments of the method of characteristics; energy methods within Sobolev spaces; regularity for second-order elliptic, parabolic, and hyperbolic equations; maximum principles; the multidimensional calculus of variations; viscosity solutions of Hamilton-Jacobi equations; shock waves and entropy criteria for conservation laws; and, much more.The author summarizes the relevant mathematics required to understand current research in PDEs, especially nonlinear PDEs. While he has reworked and simplified much of the classical theory (particularly the method of characteristics), he primarily emphasizes the modern interplay between funct...
Fractional Chemotaxis Diffusion Equations
Langlands, T A M
2010-01-01
We introduce mesoscopic and macroscopic model equations of chemotaxis with anomalous subdiffusion for modelling chemically directed transport of biological organisms in changing chemical environments with diffusion hindered by traps or macro-molecular crowding. The mesoscopic models are formulated using Continuous Time Random Walk master equations and the macroscopic models are formulated with fractional order differential equations. Different models are proposed depending on the timing of the chemotactic forcing. Generalizations of the models to include linear reaction dynamics are also derived. Finally a Monte Carlo method for simulating anomalous subdiffusion with chemotaxis is introduced and simulation results are compared with numerical solutions of the model equations. The model equations developed here could be used to replace Keller-Segel type equations in biological systems with transport hindered by traps, macro-molecular crowding or other obstacles.
K. Banoo
1998-01-01
equation in the discrete momentum space. This is shown to be similar to the conventional drift-diffusion equation except that it is a more rigorous solution to the Boltzmann equation because the current and carrier densities are resolved into M×1 vectors, where M is the number of modes in the discrete momentum space. The mobility and diffusion coefficient become M×M matrices which connect the M momentum space modes. This approach is demonstrated by simulating electron transport in bulk silicon.
Developmental Partial Differential Equations
Duteil, Nastassia Pouradier; Rossi, Francesco; Boscain, Ugo; Piccoli, Benedetto
2015-01-01
In this paper, we introduce the concept of Developmental Partial Differential Equation (DPDE), which consists of a Partial Differential Equation (PDE) on a time-varying manifold with complete coupling between the PDE and the manifold's evolution. In other words, the manifold's evolution depends on the solution to the PDE, and vice versa the differential operator of the PDE depends on the manifold's geometry. DPDE is used to study a diffusion equation with source on a growing surface whose gro...
Differential equations I essentials
REA, Editors of
2012-01-01
REA's Essentials provide quick and easy access to critical information in a variety of different fields, ranging from the most basic to the most advanced. As its name implies, these concise, comprehensive study guides summarize the essentials of the field covered. Essentials are helpful when preparing for exams, doing homework and will remain a lasting reference source for students, teachers, and professionals. Differential Equations I covers first- and second-order equations, series solutions, higher-order linear equations, and the Laplace transform.
Ordinary differential equations
Pontryagin, Lev Semenovich
1962-01-01
Ordinary Differential Equations presents the study of the system of ordinary differential equations and its applications to engineering. The book is designed to serve as a first course in differential equations. Importance is given to the linear equation with constant coefficients; stability theory; use of matrices and linear algebra; and the introduction to the Lyapunov theory. Engineering problems such as the Watt regulator for a steam engine and the vacuum-tube circuit are also presented. Engineers, mathematicians, and engineering students will find the book invaluable.
Industrial Chemistry Option in MSc Studies in Chemistry.
Shani, Arnon
1982-01-01
Discusses the rationale for and development of an industrial chemistry program in chemistry at Ben-Gurion University of the Negev in Israel. Includes an outline of the recommended 2-year curriculum and list of courses in this industrial chemistry option leading to a master of science degree. (Author/JN)
Real World of Industrial Chemistry: Industrial Chemistry Bibliography.
Marmor, Solomon
1985-01-01
Presented is a bibliography of articles published in the "Journal of Chemical Education" (1968-1983) which focused on industrial chemistry. Items are listed under these headings: real world of industrial chemistry; industrial notes; subject matter articles; industrial chemistry experiments/demonstrations; academic-industrial interface;…
Turkish Prospective Chemistry Teachers' Beliefs about Chemistry Teaching
Boz, Yezdan; Uzuntiryaki, Esen
2006-01-01
In order to study the beliefs of Turkish prospective chemistry teachers about teaching chemistry, semi-structured interviews were conducted with 12 prospective teachers. Analysis of the interviews revealed that most of the prospective teachers held intermediate (transition between constructivist and traditional) beliefs about chemistry teaching.…
Is Chemistry Attractive for Pupils? Czech Pupils' Perception of Chemistry
Kubiatko, Milan
2015-01-01
Chemistry is an important subject due to understanding the composition and structure of the things around us. The main aim of the study was to find out the perception of chemistry by lower secondary school pupils. The partial aims were to find out the influence of gender, year of study and favorite subject on the perception of chemistry. The…
Top Down Chemistry Versus Bottom up Chemistry
Oka, Takeshi; Witt, Adolf N.
2016-06-01
The idea of interstellar top down chemistry (TDC), in which molecules are produced from decomposition of larger molecules and dust in contrast to ordinary bottom up chemistry (BUC) in which molecules are produced synthetically from smaller molecules and atoms in the ISM, has been proposed in the chemistry of PAH and carbon chain molecules both for diffusea,c and dense cloudsb,d. A simple and natural idea, it must have occurred to many people and has been in the air for sometime. The validity of this hypothesis is apparent for diffuse clouds in view of the observed low abundance of small molecules and its rapid decrease with molecular size on the one hand and the high column densities of large carbon molecules demonstrated by the many intense diffuse interstellar bands (DIBs) on the other. Recent identification of C60^+ as the carrier of 5 near infrared DIBs with a high column density of 2×1013 cm-2 by Maier and others confirms the TDC. This means that the large molecules and dust produced in the high density high temperature environment of circumstellar envelopes are sufficiently stable to survive decompositions due to stellar UV radiaiton, cosmic rays, C-shocks etc. for a long time (≥ 10^7 year) of their migration to diffuse clouds and seems to disagree with the consensus in the field of interstellar grains. The stability of molecules and aggregates in the diffuse interstellar medium will be discussed. Duley, W. W. 2006, Faraday Discuss. 133, 415 Zhen,J., Castellanos, P., Paardekooper, D. M., Linnartz, H., Tielens, A. G. G. M. 2014, ApJL, 797, L30 Huang, J., Oka, T. 2015, Mol. Phys. 113, 2159 Guzmán, V. V., Pety, J., Goicoechea, J. R., Gerin, M., Roueff, E., Gratier, P., Öberg, K. I. 2015, ApJL, 800, L33 L. Ziurys has sent us many papers beginning Ziurys, L. M. 2006, PNAS 103, 12274 indicating she had long been a proponent of the idea. Campbell, E. K., Holz, M., Maier, J. P., Gerlich, D., Walker, G. A. H., Bohlender, D, 2016, ApJ, in press Draine, B. T. 2003
Polymer Chemistry in High School.
Stucki, Roger
1984-01-01
Discusses why polymer chemistry should be added to the general chemistry curriculum and what topics are appropriate (listing traditional with related polymer topics). Also discusses when and how these topics should be taught. (JN)
Invariance principle and model reduction for the Fokker-Planck equation
Karlin, I. V.
2016-11-01
The principle of dynamic invariance is applied to obtain closed moment equations from the Fokker-Planck kinetic equation. The analysis is carried out to explicit formulae for computation of the lowest eigenvalue and of the corresponding eigenfunction for arbitrary potentials. This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'.
American Chemical Society, Washington, DC.
This book presents science activities investigating the chemical changes and reactions with powders that are used in baking. Activities include: (1) Mystery Powders; (2) Find the Fizz: Discover the Secret of Baking Powder; and (3) A Feast for Yeast and Cheese: Behold the Power of Chemistry. (YDS)
Yaniv, D; And Others
1982-01-01
Encouraging scientific thinking through open-ended experiments, allowing students access to common chemical instrumentation, and introduction to laboratory techniques are goals of a high school science laboratory program. Course content (general, inorganic, and organic chemistry), limitations, and course evaluation are discussed. (Author/JN)
Mattson, Bruce; Anderson, Michael P.
2011-01-01
The development of syringes having free movement while remaining gas-tight enabled methods in chemistry to be changed. Successfully containing and measuring volumes of gas without the need to trap them using liquids made it possible to work with smaller quantities. The invention of the LuerLok syringe cap also allowed the gas to be stored for a…
Vittoria Barbarulo, Maria
2014-05-01
Chemistry is the central science, as it touches every aspect of the society we live in and it is intertwined with many aspects of our culture; in particular, the strong link between Chemistry and Archaeology and Art History is being explored, offering a penetrating insight into an area of growing interest from an educational point of view. A series of vital and vibrant examples (i.e., ancient bronzes composition, colour changes due to natural pigment decomposition, marble degradation) has been proposed, on one hand, to improve student understanding of the relationship between cultural and scientific issues arising from the examination, the conservation, and the maintenance of cultural Heritage, on the other, to illustrate the role of the underlying Chemistry. In some case studies, a survey of the most relevant atmospheric factors, which are involved in the deterioration mechanisms, has also been presented to the students. First-hand laboratory experiences have been providing an invaluable means of discovering the full and varied world of Chemistry. Furthermore, the promotion of an interdisciplinary investigation of a famous painting or fresco, involving the study of its nature and significance, the definition of its historical context, any related literature, the chemical knowledge of the materials used, may be an excellent occasion to experiment the Content and Language Integrated Learning (CLIL). The aim of this approach is to convey the important message that everyone has the responsibility to care for and preserve Heritage for the benefit of present and future generations.
Petersen, Asger Bjørn; Rønnest, Mads Holger; Larsen, Thomas Ostenfeld;
2014-01-01
Specific synthetic routes are presented in schemes to illustrate the chemistry, and the analogs are presented in a table format to give an accessible overview of the structures. Several patents have been published regarding the properties of griseofulvin and its derivatives including synthesis...
Industrial chemistry; Chimie industrielle
Perrin, R. [Universite Claude Bernard, UFR, 69 - Lyon (France); Scharff, J.P. [Universite Claude Bernard, 69 - Lyon (France)]|[Ecole Superieure de Chimie, Physique et Electronique CPE, 69 - Lyon (France)
1997-12-31
This book takes stock of the main aspects of the industrial chemistry. It presents all the current chemical aspects concerning the preparation of the main inorganic, metallurgical, organic products and polymers. Are included all the problems related to raw materials, energy, reactions optimization, chemical risk, environment and cleansing, patent rights. It is devoted to students, technical men and engineers. (O.M.) 239 refs.
2000-01-01
The Royal Swedish Academy has awarded the 1999 Nobel Prize in Chemistry to Ahmed H. Zewail (California Institute of Technology, Pasadena, CA) "for his studies of the transition states of chemical reactions using femtosecond spectroscopy". Zewail's work has taken the study of the rates and mechanisms of chemical reactions to the ultimate degree of detail - the time scale of bond making and bond breaking.
Analytical Chemistry Laboratory
Anderson, Mark
2013-01-01
The Analytical Chemistry and Material Development Group maintains a capability in chemical analysis, materials R&D failure analysis and contamination control. The uniquely qualified staff and facility support the needs of flight projects, science instrument development and various technical tasks, as well as Cal Tech.
Supramolecular analytical chemistry.
Anslyn, Eric V
2007-02-02
A large fraction of the field of supramolecular chemistry has focused in previous decades upon the study and use of synthetic receptors as a means of mimicking natural receptors. Recently, the demand for synthetic receptors is rapidly increasing within the analytical sciences. These classes of receptors are finding uses in simple indicator chemistry, cellular imaging, and enantiomeric excess analysis, while also being involved in various truly practical assays of bodily fluids. Moreover, one of the most promising areas for the use of synthetic receptors is in the arena of differential sensing. Although many synthetic receptors have been shown to yield exquisite selectivities, in general, this class of receptor suffers from cross-reactivities. Yet, cross-reactivity is an attribute that is crucial to the success of differential sensing schemes. Therefore, both selective and nonselective synthetic receptors are finding uses in analytical applications. Hence, a field of chemistry that herein is entitled "Supramolecular Analytical Chemistry" is emerging, and is predicted to undergo increasingly rapid growth in the near future.
Water Chemistry Laboratory Manual.
Jenkins, David; And Others
This manual of laboratory experiments in water chemistry serves a dual function of illustrating fundamental chemical principles of dilute aqueous systems and of providing the student with some familiarity with the chemical measurements commonly used in water and wastewater analysis. Experiments are grouped in categories on the basis of similar…
Supramolecular Chemistry in Water
Oshovsky, Gennady V.; Reinhoudt, David N.; Verboom, Willem
2007-01-01
Supramolecular chemistry in water is a constantly growing research area because noncovalent interactions in aqueous media are important for obtaining a better understanding and control of the major processes in nature. This Review offers an overview of recent advances in the area of water-soluble sy
Akeroyd, F. Michael
1984-01-01
Discusses the relationship of Karl Popper's theories to chemistry, examining scientific statements and verisimilitude (which indicates that newer theories should have a higher degree of truth content compared with older theories). Also provides examples illustrating the use of Agassi's criteria for assessing currently fashionable theories. (JN)
Synthetic chemists have always had an objective to achieve reliable and high-yielding routes to the syntheses of targeted molecules. The importance of minimal waste generation has emphasized the use of green chemistry principles and sustainable development. These directions lead ...
Computational chemistry at Janssen.
van Vlijmen, Herman; Desjarlais, Renee L; Mirzadegan, Tara
2016-12-19
Computer-aided drug discovery activities at Janssen are carried out by scientists in the Computational Chemistry group of the Discovery Sciences organization. This perspective gives an overview of the organizational and operational structure, the science, internal and external collaborations, and the impact of the group on Drug Discovery at Janssen.
Chemistry Education and Mythology
Sule Aycan
2005-01-01
Full Text Available This study aimed to investigate the effect of mythological story in teaching chemistry. To this end the students in the class were divided into two homogenous groups. While the first group was thought in a traditional way, using a mythological story thought the second group. The story used was based on a Mountain just opposite the faculty.
Zuhal GERÇEK
2012-01-01
Full Text Available Increasing the types of terrorism and crime nowadays, the importance of the forensic sciences can be bett er understood. Forensic science is the application of the wide spectrum of science to answer the question of legal system. It contains the application of the principles, techniques and methods of basic sciences and its main aim is the determination of the physical facts which are important in legal situations. Forensic chemistry is the branch of chemistry which performs the chemical analysis of evidences that used in the courts. Forensic chemist is the professional chemist who analyzes the evidences from crime scene and reaches a result by application of tests. Th us, they have to have a special education. In forensic laboratories candidates who have chemistry/biochemistry undergraduate degree and took biology and forensic chemistry lectures are preferred. It is necessary to design graduate and undergraduate education to train a forensic chemist. Science education should be at the core of the undergraduate education. In addition to this strong laboratory education on both science and forensic science should be given. Th e graduate program of forensic science example should contain forensic science subjects, strong academic lectures on special subjects and research and laboratory components.
Janowicz, Philip A.
2010-01-01
This is a comprehensive study of the many facets of an entirely online organic chemistry course. Online homework with structure-drawing capabilities was found to be more effective than written homework. Online lecture was found to be just as effective as in-person lecture, and students prefer an online lecture format with shorter Webcasts. Online…
Petersen, Asger Bjørn; Rønnest, Mads Holger; Larsen, Thomas Ostenfeld
2014-01-01
Specific synthetic routes are presented in schemes to illustrate the chemistry, and the analogs are presented in a table format to give an accessible overview of the structures. Several patents have been published regarding the properties of griseofulvin and its derivatives including synthesis...
Jaffé, Hans H
1977-01-01
This book, devoted exclusively to symmetry in chemistry and developed in an essentially nonmathematical way, is a must for students and researchers. Topics include symmetry elements and operations, multiple symmetry operations, multiplication tables and point groups, group theory applications, and crystal symmetry. Extensive appendices provide useful tables.
Evaluating Environmental Chemistry Textbooks.
Hites, Ronald A.
2001-01-01
A director of the Indiana University Center for Environmental Science Research reviews textbooks on environmental chemistry. Highlights clear writing, intellectual depth, presence of problem sets covering both the qualitative and quantitative aspects of the material, and full coverage of the topics of concern. Discusses the director's own approach…
Computational chemistry at Janssen
van Vlijmen, Herman; Desjarlais, Renee L.; Mirzadegan, Tara
2016-12-01
Computer-aided drug discovery activities at Janssen are carried out by scientists in the Computational Chemistry group of the Discovery Sciences organization. This perspective gives an overview of the organizational and operational structure, the science, internal and external collaborations, and the impact of the group on Drug Discovery at Janssen.
Analytical Chemistry Laboratory
Anderson, Mark
2013-01-01
The Analytical Chemistry and Material Development Group maintains a capability in chemical analysis, materials R&D failure analysis and contamination control. The uniquely qualified staff and facility support the needs of flight projects, science instrument development and various technical tasks, as well as Cal Tech.
Ostlund, N.S.
1980-01-01
The field of attached scientific processors (''array processors'') is surveyed, and an attempt is made to indicate their present and possible future use in computational chemistry. The current commercial products from Floating Point Systems, Inc., Datawest Corporation, and CSP, Inc. are discussed.
Janowicz, Philip A.
This is a comprehensive study of the many facets of an entirely online organic chemistry course. Online homework with structure-drawing capabilities was found to be more effective than written homework. Online lecture was found to be just as effective as in-person lecture, and students prefer an online lecture format with shorter Webcasts. Online office hours were found to be effective, and discussion sessions can be placed online as well. A model was created that explains 36.1% of student performance based on GPA, ACT Math score, grade in previous chemistry course, and attendance at various forms of discussion. Online exams have been created which test problem-solving skills and is instantly gradable. In these exams, students can submit answers until time runs out for different numbers of points. These facets were combined effectively to create an entirely online organic chemistry course which students prefer over the in-person alternative. Lastly, there is a vision for where online organic chemistry is going and what can be done to improve education for all.
Evaluating Environmental Chemistry Textbooks.
Hites, Ronald A.
2001-01-01
A director of the Indiana University Center for Environmental Science Research reviews textbooks on environmental chemistry. Highlights clear writing, intellectual depth, presence of problem sets covering both the qualitative and quantitative aspects of the material, and full coverage of the topics of concern. Discusses the director's own approach…
Chemistry in Protoplanetary Disks
Henning, Thomas
2013-01-01
This comprehensive review summarizes our current understanding of the evolution of gas, solids and molecular ices in protoplanetary disks. Key findings related to disk physics and chemistry, both observationally and theoretically, are highlighted. We discuss which molecular probes are used to derive gas temperature, density, ionization state, kinematics, deuterium fractionation, and study organic matter in protoplanetary disks.
Temechegn
This paper describes uses of the systemic chemistry triangle [SCT] in which we get the benefits of both ..... The teachers follows up the following scenario for teaching [Fig.12]:. 1. ... [SATL]: A 10- year's review, AJCE, 1(1) 29-47. 3. Fahmy ...
Mathematical problems for chemistry students
Pota, Gyorgy
2011-01-01
Mathematical Problems for Chemistry Students has been compiled and written (a) to help chemistrystudents in their mathematical studies by providing them with mathematical problems really occurring in chemistry (b) to help practising chemists to activate their applied mathematical skills and (c) to introduce students and specialistsof the chemistry-related fields (physicists, mathematicians, biologists, etc.) intothe world of the chemical applications.Some problems of the collection are mathematical reformulations of those in the standard textbooks of chemistry, others we
Gauge Poisson representations for birth/death master equations
Drummond, P D
2002-01-01
Poisson representation techniques provide a powerful method for mapping master equations for birth/death processes - found in many fields of physics, chemistry and biology - into more tractable stochastic differential equations. However, the usual expansion is not exact in the presence of boundary terms, which commonly occur when the differential equations are nonlinear. In this paper, a stochastic gauge technique is introduced that eliminates boundary terms, to give an exact representation as a weighted rate equation with stochastic terms. These methods provide novel techniques for calculating and understanding the effects of number correlations in systems that have a master equation description. As examples, correlations induced by strong mutations in genetics, and the astrophysical problem of molecule formation on microscopic grain surfaces are analyzed. Exact analytic results are obtained that can be compared with numerical simulations, demonstrating that stochastic gauge techniques can give exact results...
Aqueous Solution Chemistry of Plutonium
Clark, David L. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2014-01-28
Things I have learned working with plutonium: Chemistry of plutonium is complex; Redox equilibria make Pu solution chemistry particularly challenging in the absence of complexing ligands; Understanding this behavior is key to successful Pu chemistry experiments; There is no suitable chemical analog for plutonium.
Industrial Chemistry at Michigan Tech.
Bates, D. K.; Ponter, A. B.
1985-01-01
Discusses factors leading to the development of a four-year industrial chemistry program at Michigan Technological University and provides details of its structure. Includes brief descriptions of courses required in industrial chemistry but not in the traditional chemistry program and list of optional courses. (JN)
Division of Analytical Chemistry, 1998
Hansen, Elo Harald
1999-01-01
The article recounts the 1998 activities of the Division of Analytical Chemistry (DAC- formerly the Working Party on Analytical Chemistry, WPAC), which body is a division of the Federation of European Chemical Societies (FECS). Elo Harald Hansen is the Danish delegate, representing The Danish...... Chemical Society/The Society for Analytical Chemistry....
Principles of Chemistry (by Michael Munowitz)
Kovac, Reviewed By Jeffrey
2000-05-01
principles. This is a very conceptual book. Each chapter has two parts, which are distinguished by having different-colored pages: white and gray. The first part of every chapter is a lovely conceptual development of the "big picture". In these white pages, there are no sample problems, no tables of data, just elegant prose liberally illustrated with graphs and diagrams. Mathematical and chemical equations and chemical structures are presented as needed, but the goal is to provide the reader with a conceptual understanding. I found these introductory "lectures", as Munowitz terms them, to be enchanting. The second part of each chapter is a review and guide to problems, what Munowitz calls the "recitation" section. These pages are gray. This second section gives a brief summary of the material, which is followed by a series of worked examples that apply the concepts to practical problems. This structure reflects the author's pedagogical philosophy--begin with the general and move to the specific--and his view of chemistry as a combination of "lofty principles and gritty practicality". Following the worked examples, of course, are exercises for the student, ranging from simple drill problems to more sophisticated applications of the principles. I was a little disappointed, however, that there were so few conceptual exercises. Although Munowitz describes the second part of each chapter as a review and applications, he does put new material into the sample problems. For example, in Chapter 3 the concept of oxidation numbers is introduced and sample problems on the assignment of oxidation numbers are presented. Then, in example 3-3, the concept of formal charge is presented as a contrast to the oxidation number even though this idea had not been previously introduced. The dual structure of white and gray pages makes this book unique but also very long. The combined length of the white sections is about 800 pages, but an approximately 25-page conceptual section is always followed
Hazewinkel, M.
1995-01-01
Dedication: I dedicate this paper to Prof. P.C. Baayen, at the occasion of his retirement on 20 December 1994. The beautiful equation which forms the subject matter of this paper was invented by Wouthuysen after he retired. The four complex variable Wouthuysen equation arises from an original space-
Shabat, A. B.
2016-12-01
We consider the class of entire functions of exponential type in relation to the scattering theory for the Schrödinger equation with a finite potential that is a finite Borel measure. These functions have a special self-similarity and satisfy q-difference functional equations. We study their asymptotic behavior and the distribution of zeros.
Dissipative Boussinesq equations
Dutykh, D; Dias, Fr\\'{e}d\\'{e}ric; Dutykh, Denys
2007-01-01
The classical theory of water waves is based on the theory of inviscid flows. However it is important to include viscous effects in some applications. Two models are proposed to add dissipative effects in the context of the Boussinesq equations, which include the effects of weak dispersion and nonlinearity in a shallow water framework. The dissipative Boussinesq equations are then integrated numerically.
Hannelore Breckner
2000-01-01
Full Text Available We consider a stochastic equation of Navier-Stokes type containing a noise part given by a stochastic integral with respect to a Wiener process. The purpose of this paper is to approximate the solution of this nonlinear equation by the Galerkin method. We prove the convergence in mean square.
Differential Equation of Equilibrium
user
than the classical method in the solution of the aforementioned differential equation. Keywords: ... present a successful approximation of shell ... displacement function. .... only applicable to cylindrical shell subject to ..... (cos. 4. 4. 4. 3 β. + β. + β. -. = β. - β x x e ex. AL. xA w. Substituting equations (29); (30) and (31) into.
Applied partial differential equations
Logan, J David
2004-01-01
This primer on elementary partial differential equations presents the standard material usually covered in a one-semester, undergraduate course on boundary value problems and PDEs. What makes this book unique is that it is a brief treatment, yet it covers all the major ideas: the wave equation, the diffusion equation, the Laplace equation, and the advection equation on bounded and unbounded domains. Methods include eigenfunction expansions, integral transforms, and characteristics. Mathematical ideas are motivated from physical problems, and the exposition is presented in a concise style accessible to science and engineering students; emphasis is on motivation, concepts, methods, and interpretation, rather than formal theory. This second edition contains new and additional exercises, and it includes a new chapter on the applications of PDEs to biology: age structured models, pattern formation; epidemic wave fronts, and advection-diffusion processes. The student who reads through this book and solves many of t...
Examination on Expert Chemistry Teachers’ Secondary School Chemistry Textbook Usage
Canan NAKİBOĞLU
2009-04-01
Full Text Available The purpose of the study is to determine how chemistry textbooks used by expert chemistry teachers are used during teaching process in secondary education, and to find how prospective chemistry teachers evaluate the situation mentioned. Thus, a project concerned with how expert chemistry teachers use them in their classes was carried out. Based on the research context, an interview that was used to interview with expert chemistry teachers by prospective chemistry teachers was prepared by the author. Next, prospective chemistry teachers were asked to evaluate how expert chemistry teachers used textbooks. The sample group of the study consisted of 21 expert high school chemistry teachers working at schools in Balıkesir and 21 prospective chemistry teachers studying at Education Faculty of Balıkesir University during 2007-2008 academic years. The findings of the study revealed that expert chemistry teachers did not use textbooks during their teaching process while they used them as the sources of problems and exercises at the end of units. Furthermore, it was found that University Entrance Exam (OSS had an effect on how to use the textbooks by teachers.
Towards "Bildung"-Oriented Chemistry Education
Sjöström, Jesper
2013-01-01
This paper concerns "Bildung"-oriented chemistry education, based on a reflective and critical discourse of chemistry. It is contrasted with the dominant type of chemistry education, based on the mainstream discourse of chemistry. "Bildung"-oriented chemistry education includes not only content knowledge in chemistry, but also…
Pilar, Frank L
2003-01-01
Useful introductory course and reference covers origins of quantum theory, Schrödinger wave equation, quantum mechanics of simple systems, electron spin, quantum states of atoms, Hartree-Fock self-consistent field method, more. 1990 edition.
Kuksin, Sergei; Maiocchi, Alberto
In this chapter we present a general method of constructing the effective equation which describes the behavior of small-amplitude solutions for a nonlinear PDE in finite volume, provided that the linear part of the equation is a hamiltonian system with a pure imaginary discrete spectrum. The effective equation is obtained by retaining only the resonant terms of the nonlinearity (which may be hamiltonian, or may be not); the assertion that it describes the limiting behavior of small-amplitude solutions is a rigorous mathematical theorem. In particular, the method applies to the three- and four-wave systems. We demonstrate that different possible types of energy transport are covered by this method, depending on whether the set of resonances splits into finite clusters (this happens, e.g. in case of the Charney-Hasegawa-Mima equation), or is connected (this happens, e.g. in the case of the NLS equation if the space-dimension is at least two). For equations of the first type the energy transition to high frequencies does not hold, while for equations of the second type it may take place. Our method applies to various weakly nonlinear wave systems, appearing in plasma, meteorology and oceanography.
Differential equations problem solver
Arterburn, David R
2012-01-01
REA's Problem Solvers is a series of useful, practical, and informative study guides. Each title in the series is complete step-by-step solution guide. The Differential Equations Problem Solver enables students to solve difficult problems by showing them step-by-step solutions to Differential Equations problems. The Problem Solvers cover material ranging from the elementary to the advanced and make excellent review books and textbook companions. They're perfect for undergraduate and graduate studies.The Differential Equations Problem Solver is the perfect resource for any class, any exam, and
Ordinary differential equations
Miller, Richard K
1982-01-01
Ordinary Differential Equations is an outgrowth of courses taught for a number of years at Iowa State University in the mathematics and the electrical engineering departments. It is intended as a text for a first graduate course in differential equations for students in mathematics, engineering, and the sciences. Although differential equations is an old, traditional, and well-established subject, the diverse backgrounds and interests of the students in a typical modern-day course cause problems in the selection and method of presentation of material. In order to compensate for this diversity,
Pierret, Frédéric
2016-02-01
We derived the equations of Celestial Mechanics governing the variation of the orbital elements under a stochastic perturbation, thereby generalizing the classical Gauss equations. Explicit formulas are given for the semimajor axis, the eccentricity, the inclination, the longitude of the ascending node, the pericenter angle, and the mean anomaly, which are expressed in term of the angular momentum vector H per unit of mass and the energy E per unit of mass. Together, these formulas are called the stochastic Gauss equations, and they are illustrated numerically on an example from satellite dynamics.
Beginning partial differential equations
O'Neil, Peter V
2011-01-01
A rigorous, yet accessible, introduction to partial differential equations-updated in a valuable new edition Beginning Partial Differential Equations, Second Edition provides a comprehensive introduction to partial differential equations (PDEs) with a special focus on the significance of characteristics, solutions by Fourier series, integrals and transforms, properties and physical interpretations of solutions, and a transition to the modern function space approach to PDEs. With its breadth of coverage, this new edition continues to present a broad introduction to the field, while also addres
Hyperbolic partial differential equations
Witten, Matthew
1986-01-01
Hyperbolic Partial Differential Equations III is a refereed journal issue that explores the applications, theory, and/or applied methods related to hyperbolic partial differential equations, or problems arising out of hyperbolic partial differential equations, in any area of research. This journal issue is interested in all types of articles in terms of review, mini-monograph, standard study, or short communication. Some studies presented in this journal include discretization of ideal fluid dynamics in the Eulerian representation; a Riemann problem in gas dynamics with bifurcation; periodic M
Wu Zhuo Qun; Li Hui Lai; Zhao Jun Ning
2001-01-01
Nonlinear diffusion equations, an important class of parabolic equations, come from a variety of diffusion phenomena which appear widely in nature. They are suggested as mathematical models of physical problems in many fields, such as filtration, phase transition, biochemistry and dynamics of biological groups. In many cases, the equations possess degeneracy or singularity. The appearance of degeneracy or singularity makes the study more involved and challenging. Many new ideas and methods have been developed to overcome the special difficulties caused by the degeneracy and singularity, which
Partial differential equations
Friedman, Avner
2008-01-01
This three-part treatment of partial differential equations focuses on elliptic and evolution equations. Largely self-contained, it concludes with a series of independent topics directly related to the methods and results of the preceding sections that helps introduce readers to advanced topics for further study. Geared toward graduate and postgraduate students of mathematics, this volume also constitutes a valuable reference for mathematicians and mathematical theorists.Starting with the theory of elliptic equations and the solution of the Dirichlet problem, the text develops the theory of we
Introduction to functional equations
Sahoo, Prasanna K
2011-01-01
Introduction to Functional Equations grew out of a set of class notes from an introductory graduate level course at the University of Louisville. This introductory text communicates an elementary exposition of valued functional equations where the unknown functions take on real or complex values. In order to make the presentation as manageable as possible for students from a variety of disciplines, the book chooses not to focus on functional equations where the unknown functions take on values on algebraic structures such as groups, rings, or fields. However, each chapter includes sections hig
Uncertain differential equations
Yao, Kai
2016-01-01
This book introduces readers to the basic concepts of and latest findings in the area of differential equations with uncertain factors. It covers the analytic method and numerical method for solving uncertain differential equations, as well as their applications in the field of finance. Furthermore, the book provides a number of new potential research directions for uncertain differential equation. It will be of interest to researchers, engineers and students in the fields of mathematics, information science, operations research, industrial engineering, computer science, artificial intelligence, automation, economics, and management science.
Carbohydrates in Supramolecular Chemistry.
Delbianco, Martina; Bharate, Priya; Varela-Aramburu, Silvia; Seeberger, Peter H
2016-02-24
Carbohydrates are involved in a variety of biological processes. The ability of sugars to form a large number of hydrogen bonds has made them important components for supramolecular chemistry. We discuss recent advances in the use of carbohydrates in supramolecular chemistry and reveal that carbohydrates are useful building blocks for the stabilization of complex architectures. Systems are presented according to the scaffold that supports the glyco-conjugate: organic macrocycles, dendrimers, nanomaterials, and polymers are considered. Glyco-conjugates can form host-guest complexes, and can self-assemble by using carbohydrate-carbohydrate interactions and other weak interactions such as π-π interactions. Finally, complex supramolecular architectures based on carbohydrate-protein interactions are discussed.
Pugh, Robert J
2016-01-01
This indispensable guide will equip the reader with a thorough understanding of the field of foaming chemistry. Assuming only basic theoretical background knowledge, the book provides a straightforward introduction to the principles and properties of foams and foaming surfactants. It discusses the key ideas that underpin why foaming occurs, how it can be avoided and how different degrees of antifoaming can be achieved, and covers the latest test methods, including laboratory and industrial developed techniques. Detailing a variety of different kinds of foams, from wet detergents and food foams, to polymeric, material and metal foams, it connects theory to real-world applications and recent developments in foam research. Combining academic and industrial viewpoints, this book is the definitive stand-alone resource for researchers, students and industrialists working on foam technology, colloidal systems in the field of chemical engineering, fluid mechanics, physical chemistry, and applied physics.
Borggaard, Ole K.
and environmental protection. Tropical Soil Chemistry by Ole K. Borggaard provides an overview of the composition, occurrence, properties, processes, formation, and environmental vulnerability of various tropical soil types (using American Soil Taxonomy for classification). The processes and the external factors......A new book that is particularly relevant as tropical countries experience increased pressure on land resources to improve agricultural production. To ensure sustainable land use, the potentials and limitations of different kinds of tropical soils must be known in relation to crop production...... soil chemical issues are also presented to assess when, why, and how tropical soils differ from soils in other regions. This knowledge can help agricultural specialists in the tropics establish sustainable crop production. Readers are assumed to be familiar with basic chemistry, physics...
David A. Winkler
2015-12-01
Full Text Available As Einstein identified so clearly, space and time are intimately related. We discuss the relationship between time and Euclidean space using spectroscopic and radioastronomical studies of interstellar chemistry as an example. Given the finite speed of light, we are clearly studying chemical reactions occurring tens of thousands of years ago that may elucidate the primordial chemistry of this planet several billion years ago. We also explore space of a different kind – chemical space, with many more dimensions than the four we associate as space–time. Vast chemical spaces also need very efficient (computational methods for their exploration to overcome this ‘curse of dimensionality’. We discuss methods by which the time to explore these new spaces can be very substantially reduced, opening the discovery useful new materials that are the key to our future.
Charnley, Steven
2009-01-01
Astronomical observations, theoretical modeling, laboratory simulation and analysis of extraterrestrial material have enhanced our knowledge of the inventory of organic matter in the interstellar medium (ISM) and on small bodies such as comets and asteroids (Ehrenfreund & Charnley 2000). Comets, asteroids and their fragments, meteorites and interplanetary dust particles (IDPs), contributed significant amounts of extraterrestrial organic matter to the young Earth. This material degraded and reacted in a terrestrial prebiotic chemistry to form organic structures that may have served as building blocks for life on the early Earth. In this talk I will summarize our current understanding of the organic composition and chemistry of interstellar clouds. Molecules of astrobiological relevance include the building blocks of our genetic material: nucleic acids, composed of subunits such as N-heterocycles (purines and pyrimidines), sugars and amino acids. Signatures indicative of inheritance of pristine and modified interstellar material in comets and meteorites will also be discussed.
Brune, D.; Forkman, B.; Persson, B.
1984-01-01
This book covers the general theories and techniques of nuclear chemical analysis, directed at applications in analytical chemistry, nuclear medicine, radiophysics, agriculture, environmental sciences, geological exploration, industrial process control, etc. The main principles of nuclear physics and nuclear detection on which the analysis is based are briefly outlined. An attempt is made to emphasise the fundamentals of activation analysis, detection and activation methods, as well as their applications. The book provides guidance in analytical chemistry, agriculture, environmental and biomedical sciences, etc. The contents include: the nuclear periodic system; nuclear decay; nuclear reactions; nuclear radiation sources; interaction of radiation with matter; principles of radiation detectors; nuclear electronics; statistical methods and spectral analysis; methods of radiation detection; neutron activation analysis; charged particle activation analysis; photon activation analysis; sample preparation and chemical separation; nuclear chemical analysis in biological and medical research; the use of nuclear chemical analysis in the field of criminology; nuclear chemical analysis in environmental sciences, geology and mineral exploration; and radiation protection.
Quo vadis, analytical chemistry?
Valcárcel, Miguel
2016-01-01
This paper presents an open, personal, fresh approach to the future of Analytical Chemistry in the context of the deep changes Science and Technology are anticipated to experience. Its main aim is to challenge young analytical chemists because the future of our scientific discipline is in their hands. A description of not completely accurate overall conceptions of our discipline, both past and present, to be avoided is followed by a flexible, integral definition of Analytical Chemistry and its cornerstones (viz., aims and objectives, quality trade-offs, the third basic analytical reference, the information hierarchy, social responsibility, independent research, transfer of knowledge and technology, interfaces to other scientific-technical disciplines, and well-oriented education). Obsolete paradigms, and more accurate general and specific that can be expected to provide the framework for our discipline in the coming years are described. Finally, the three possible responses of analytical chemists to the proposed changes in our discipline are discussed.
[Gaubius and medical chemistry].
van Gijn, Jan; Gijselhart, Joost P
2011-01-01
Hieronymus David Gaub (1705-1780) was the son of a protestant cloth merchant in Heidelberg. Disliking a pietistic boarding school in Halle, Germany, he came to stay with a paternal uncle who was a physician in Amsterdam. Hieronymus studied medicine in Harderwijk and in Leiden, under the guidance of Herman Boerhaave (1668-1738). In 1731 he was appointed reader (and in 1734 professor) in chemistry at the Leiden medical faculty. After Boerhaave's death he also taught medicine, but without access to hospital beds. Gaubius correctly envisaged that chemistry would become an important discipline in medicine, but was limited by the technical constraints of his time. In his textbook of general pathology (1758) he attributed disease to disturbances of not only fluids, but also solid parts, although symptoms remained the basis of his classification. The book would remain influential for several decades, until the advent of pathological anatomy.
Storylines in intercalation chemistry.
Lerf, A
2014-07-21
Intercalation chemistry will soon be a hundred years old. The period of greatest activity in this field of solid state chemistry and physics was from about 1970 to 1990. The intercalation reactions are defined as topotactic solid state reactions and the products--the intercalation compounds--are clearly distinguished from inclusion and interstitial compounds. After a short historical introduction emphasizing the pioneering work of Ulrich Hofmann, the central topics and concepts will be reviewed and commented on. The most important ones, in my view, are: dichalcogenide intercalation compounds, the electrochemical intercalation and the search for new battery electrodes, the physics of graphite intercalation compounds, and the staging and interstratification phenomena. The relation to other fields of actual research and the demands for forthcoming research will also be addressed.
Charnley, Steven
2009-01-01
Astronomical observations, theoretical modeling, laboratory simulation and analysis of extraterrestrial material have enhanced our knowledge of the inventory of organic matter in the interstellar medium (ISM) and on small bodies such as comets and asteroids (Ehrenfreund & Charnley 2000). Comets, asteroids and their fragments, meteorites and interplanetary dust particles (IDPs), contributed significant amounts of extraterrestrial organic matter to the young Earth. This material degraded and reacted in a terrestrial prebiotic chemistry to form organic structures that may have served as building blocks for life on the early Earth. In this talk I will summarize our current understanding of the organic composition and chemistry of interstellar clouds. Molecules of astrobiological relevance include the building blocks of our genetic material: nucleic acids, composed of subunits such as N-heterocycles (purines and pyrimidines), sugars and amino acids. Signatures indicative of inheritance of pristine and modified interstellar material in comets and meteorites will also be discussed.
Litofsky, Joshua; Viswanathan, Rama
2015-01-01
Matrix diagonalization, the key technique at the heart of modern computational chemistry for the numerical solution of the Schrödinger equation, can be easily introduced in the physical chemistry curriculum in a pedagogical context using simple Hückel molecular orbital theory for p bonding in molecules. We present details and results of…
Diederen, Julia; Gruppen, Harry; Hartog, Rob; Voragen, Alphons G. J.
2005-01-01
One of the modules in the course Food Chemistry at Wageningen University (Wageningen, The Netherlands) focuses on quantitative problem-solving skills related to chemical reactions. The intended learning outcomes of this module are firstly, to be able to translate practical food chemistry related problems into mathematical equations and to solve…
Diederen, Julia; Gruppen, Harry; Hartog, Rob; Voragen, Alphons G. J.
2005-01-01
One of the modules in the course Food Chemistry at Wageningen University (Wageningen, The Netherlands) focuses on quantitative problem-solving skills related to chemical reactions. The intended learning outcomes of this module are firstly, to be able to translate practical food chemistry related problems into mathematical equations and to solve…
Quantum mechanics in chemistry
Schatz, George C
2002-01-01
Intended for graduate and advanced undergraduate students, this text explores quantum mechanical techniques from the viewpoint of chemistry and materials science. Dynamics, symmetry, and formalism are emphasized. An initial review of basic concepts from introductory quantum mechanics is followed by chapters examining symmetry, rotations, and angular momentum addition. Chapter 4 introduces the basic formalism of time-dependent quantum mechanics, emphasizing time-dependent perturbation theory and Fermi's golden rule. Chapter 5 sees this formalism applied to the interaction of radiation and matt
Transferases in Polymer Chemistry
van der Vlist, Jeroen; Loos, Katja
Transferases are enzymes that catalyze reactions in which a group is transferred from one compound to another. This makes these enzymes ideal catalysts for polymerization reactions. In nature, transferases are responsible for the synthesis of many important natural macromolecules. In synthetic polymer chemistry, various transferases are used to synthesize polymers in vitro. This chapter reviews some of these approaches, such as the enzymatic polymerization of polyesters, polysaccharides, and polyisoprene.
Green chemistry: development trajectory
Moiseev, I. I.
2013-07-01
Examples of applications of green chemistry methods in heavy organic synthesis are analyzed. Compounds, which can be produced by the processing of the biomass, and the criteria for the selection of the most promising products are summarized. The current status of the ethanol production and processing is considered. The possibilities of the use of high fatty acid triglycerides, glycerol, succinic acid, and isoprene are briefly discussed. The bibliography includes 67 references.
Analytical Chemistry in Russia.
Zolotov, Yuri
2016-09-06
Research in Russian analytical chemistry (AC) is carried out on a significant scale, and the analytical service solves practical tasks of geological survey, environmental protection, medicine, industry, agriculture, etc. The education system trains highly skilled professionals in AC. The development and especially manufacturing of analytical instruments should be improved; in spite of this, there are several good domestic instruments and other satisfy some requirements. Russian AC has rather good historical roots.
A Comparison of IRT Equating and Beta 4 Equating.
Kim, Dong-In; Brennan, Robert; Kolen, Michael
Four equating methods were compared using four equating criteria: first-order equity (FOE), second-order equity (SOE), conditional mean squared error (CMSE) difference, and the equipercentile equating property. The four methods were: (1) three parameter logistic (3PL) model true score equating; (2) 3PL observed score equating; (3) beta 4 true…
From China to the world: Science China Chemistry celebrates the International Year of Chemistry
ZHU XiaoWen; XUE Zi-Ling
2012-01-01
1 Introduction Science China Chemistry is considered the best and most comprehensive chemistry journal in China,Its primary mission is to communicate the results of basic and innovative chemistry research.The subject areas include physical chemistry,organic chemistry,inorganic chemistry,polymer chemistry,biological chemistry,environmental chemistry,and chemical engineering in the form of Feature Articles,Reviews,Communications,Articles,and News & Comments.
Applied partial differential equations
Logan, J David
2015-01-01
This text presents the standard material usually covered in a one-semester, undergraduate course on boundary value problems and PDEs. Emphasis is placed on motivation, concepts, methods, and interpretation, rather than on formal theory. The concise treatment of the subject is maintained in this third edition covering all the major ideas: the wave equation, the diffusion equation, the Laplace equation, and the advection equation on bounded and unbounded domains. Methods include eigenfunction expansions, integral transforms, and characteristics. In this third edition, text remains intimately tied to applications in heat transfer, wave motion, biological systems, and a variety other topics in pure and applied science. The text offers flexibility to instructors who, for example, may wish to insert topics from biology or numerical methods at any time in the course. The exposition is presented in a friendly, easy-to-read, style, with mathematical ideas motivated from physical problems. Many exercises and worked e...
Frédéric, Pierret
2014-01-01
The equations of celestial mechanics that govern the variation of the orbital elements are completely derived for stochastic perturbation which generalized the classic perturbation equations which are used since Gauss, starting from Newton's equation and it's solution. The six most understandable orbital element, the semi-major axis, the eccentricity, the inclination, the longitude of the ascending node, the pericenter angle and the mean motion are express in term of the angular momentum vector $\\textbf{H}$ per unit of mass and the energy $E$ per unit of mass. We differentiate those expressions using It\\^o's theory of differential equations due to the stochastic nature of the perturbing force. The result is applied to the two-body problem perturbed by a stochastic dust cloud and also perturbed by a stochastic dynamical oblateness of the central body.
Kinetic equations: computation
Pareschi, Lorenzo
2013-01-01
Kinetic equations bridge the gap between a microscopic description and a macroscopic description of the physical reality. Due to the high dimensionality the construction of numerical methods represents a challenge and requires a careful balance between accuracy and computational complexity.
Saaty, Thomas L
1981-01-01
Covers major types of classical equations: operator, functional, difference, integro-differential, and more. Suitable for graduate students as well as scientists, technologists, and mathematicians. "A welcome contribution." - Math Reviews. 1964 edition.
Geometry of differential equations
Khovanskiĭ, A; Vassiliev, V
1998-01-01
This volume contains articles written by V. I. Arnold's colleagues on the occasion of his 60th birthday. The articles are mostly devoted to various aspects of geometry of differential equations and relations to global analysis and Hamiltonian mechanics.
Regularized Structural Equation Modeling.
Jacobucci, Ross; Grimm, Kevin J; McArdle, John J
A new method is proposed that extends the use of regularization in both lasso and ridge regression to structural equation models. The method is termed regularized structural equation modeling (RegSEM). RegSEM penalizes specific parameters in structural equation models, with the goal of creating easier to understand and simpler models. Although regularization has gained wide adoption in regression, very little has transferred to models with latent variables. By adding penalties to specific parameters in a structural equation model, researchers have a high level of flexibility in reducing model complexity, overcoming poor fitting models, and the creation of models that are more likely to generalize to new samples. The proposed method was evaluated through a simulation study, two illustrative examples involving a measurement model, and one empirical example involving the structural part of the model to demonstrate RegSEM's utility.
A.I.Arbab
2013-01-01
A unified complex model of Maxwell's equations is presented.The wave nature of the electromagnetic field vector is related to the temporal and spatial distributions and the circulation of charge and current densities.A new vacuum solution is obtained,and a new transformation under which Maxwell's equations are invariant is proposed.This transformation extends ordinary gauge transformation to include charge-current as well as scalar-vector potential.An electric dipole moment is found to be related to the magnetic charges,and Dirac's quantization is found to determine an uncertainty relation expressing the indeterminacy of electric and magnetic charges.We generalize Maxwell's equations to include longitudinal waves.A formal analogy between this formulation and Dirac's equation is also discussed.
Applied partial differential equations
DuChateau, Paul
2012-01-01
Book focuses mainly on boundary-value and initial-boundary-value problems on spatially bounded and on unbounded domains; integral transforms; uniqueness and continuous dependence on data, first-order equations, and more. Numerous exercises included.
Singular Renormalization Group Equations
Minoru, HIRAYAMA; Department of Physics, Toyama University
1984-01-01
The possible behaviour of the effective charge is discussed in Oehme and Zimmermann's scheme of the renormalization group equation. The effective charge in an example considered oscillates so violently in the ultraviolet limit that the bare charge becomes indefinable.
Problems in differential equations
Brenner, J L
2013-01-01
More than 900 problems and answers explore applications of differential equations to vibrations, electrical engineering, mechanics, and physics. Problem types include both routine and nonroutine, and stars indicate advanced problems. 1963 edition.
Relativistic Guiding Center Equations
White, R. B. [PPPL; Gobbin, M. [Euratom-ENEA Association
2014-10-01
In toroidal fusion devices it is relatively easy that electrons achieve relativistic velocities, so to simulate runaway electrons and other high energy phenomena a nonrelativistic guiding center formalism is not sufficient. Relativistic guiding center equations including flute mode time dependent field perturbations are derived. The same variables as used in a previous nonrelativistic guiding center code are adopted, so that a straightforward modifications of those equations can produce a relativistic version.
Asymptotics for dissipative nonlinear equations
Hayashi, Nakao; Kaikina, Elena I; Shishmarev, Ilya A
2006-01-01
Many of problems of the natural sciences lead to nonlinear partial differential equations. However, only a few of them have succeeded in being solved explicitly. Therefore different methods of qualitative analysis such as the asymptotic methods play a very important role. This is the first book in the world literature giving a systematic development of a general asymptotic theory for nonlinear partial differential equations with dissipation. Many typical well-known equations are considered as examples, such as: nonlinear heat equation, KdVB equation, nonlinear damped wave equation, Landau-Ginzburg equation, Sobolev type equations, systems of equations of Boussinesq, Navier-Stokes and others.
Spotlight on medicinal chemistry education.
Pitman, Simone; Xu, Yao-Zhong; Taylor, Peter; Turner, Nicholas; Coaker, Hannah; Crews, Kasumi
2014-05-01
The field of medicinal chemistry is constantly evolving and it is important for medicinal chemists to develop the skills and knowledge required to succeed and contribute to the advancement of the field. Future Medicinal Chemistry spoke with Simone Pitman (SP), Yao-Zhong Xu (YX), Peter Taylor (PT) and Nick Turner (NT) from The Open University (OU), which offers an MSc in Medicinal Chemistry. In the interview, they discuss the MSc course content, online teaching, the future of medicinal chemistry education and The OU's work towards promoting widening participation. SP is a Qualifications Manager in the Science Faculty at The OU. She joined The OU in 1993 and since 1998 has been involved in the Postgraduate Medicinal Chemistry provision at The OU. YX is a Senior Lecturer in Bioorganic Chemistry at The OU. He has been with The OU from 2001, teaching undergraduate courses of all years and chairing the master's course on medicinal chemistry. PT is a Professor of Organic Chemistry at The OU and has been involved with the production and presentation of The OU courses in Science and across the university for over 30 years, including medicinal chemistry modules at postgraduate level. NT is a Lecturer in Analytical Science at The OU since 2009 and has been involved in the production of analytical sciences courses, as well as contributing to the presentation of a number of science courses including medicinal chemistry.
Functional Equations and Fourier Analysis
2010-01-01
By exploring the relations among functional equations, harmonic analysis and representation theory, we give a unified and very accessible approach to solve three important functional equations -- the d'Alembert equation, the Wilson equation, and the d'Alembert long equation, on compact groups.
Glassy state on the undergraduate course in chemistry (physical chemistry).
Yamaki, SB; Pedroso, AG; ATVARS, TDZ
2002-01-01
We consider the relevance of the study of the glassy state properties and the glass transition as important topics of the physical chemistry for undergraduate courses of Chemistry. Two of the most important theoretical approaches for the description of the glassy state, the thermodynamic and the kinetic models, are summarized with emphasis on the physical chemistry aspects. Examples illustrating the glass transition of some materials are also presented.
Green Chemistry Metrics with Special Reference to Green Analytical Chemistry
Marek Tobiszewski; Mariusz Marć; Agnieszka Gałuszka; Jacek Namieśnik
2015-01-01
The concept of green chemistry is widely recognized in chemical laboratories. To properly measure an environmental impact of chemical processes, dedicated assessment tools are required. This paper summarizes the current state of knowledge in the field of development of green chemistry and green analytical chemistry metrics. The diverse methods used for evaluation of the greenness of organic synthesis, such as eco-footprint, E-Factor, EATOS, and Eco-Scale are described. Both the well-establis...
KROME - a package to embed chemistry in astrophysical simulations
Grassi, T; Schleicher, D R G; Prieto, J; Seifried, D; Simoncini, E; Gianturco, F A
2013-01-01
Chemistry plays a key role in many astrophysical situations, and therefore needs to be included in astrophysical simulations modelling such environments. In particular, the chemical evolution regulates the cooling, and the thermal properties of the gas, which are relevant during gravitational collapse, the evolution of disks and the fragmentation process. At the same time, the chemistry of the gas also determines the observational appearance, in particular with respect to the emission through atomic, ionic or molecular lines. In order to simplify the usage of chemical networks in large numerical simulations, we present the chemistry package KROME, consisting of a Python pre-processor which generates a subroutine for the solution of chemical networks which can be embedded in any numerical code. For the solution of the rate equations, we make use of the high-order solver DLSODES, which was shown to be both accurate and efficient for sparse networks, which are typical in astrophysical applications. KROME also pr...
Sixty Years of Chemistry at CAS
WAN Li-Jun
2011-01-01
@@ As one of the fundamental and key disciplines of natural sciences, chemistry deals with the properties, composition, structure, transformation and applications of substances.It could be further divided into several branches, such as inorganic chemistry, organic chemistry, physical chemistry, polymer chemistry, analytical chemistry and chemical engineering.In recent years, many new branches and fields have emerged amide the continuous development of chemistry and its interdisciplinary research with mathematics, physics, astronomy, earth science, biology, medical science, materials science, and environmental science.
From organic chemistry to fat and oil chemistry*
Deffense Etienne
2009-01-01
With his work on animal fat and identification of fatty acids, Chevreul was a pioneer in organic chemistry. As Chevreul, I had a passion for organic chemistry too. It was then, an honour and a pleasure to present in 2008 at EFL in Athens this presentation entitled “From organic chemistry to fat and oil chemistry” because my background in organic chemistry helped me all along my professional career to understand and implement new developments related to oil and fat technology and processing. A...
An Evaluation of Chemistry I Textbook by Chemistry Teachers
Abdullah AYDIN
2010-04-01
Full Text Available Textbooks are one of the most consulted sources in the processes of teaching- learning and assessment. It is indispensable to prepare textbooks in accordance with the curriculum to ensure effective teaching and learning. “Teacher evaluation questionnaire” consistingof 20 questions has been prepared to evaluate secondary level IXth class chemistry textbook in terms of its content. This questionnaire was carried out with 31 secondary level chemistry teachers who work in the public schools and 19 chemistry teachers who work in the private courses. According to the results obtained, chemistry teachers think that there are some deficiencies and obstacles in the application of this textbook.
The mechanical and chemical equations of motion of muscle contraction
Shiner, J. S.; Sieniutycz, Stanislaw
1997-11-01
Up to now no formulation of muscle contraction has provided both the chemical kinetic equations for the reactions responsible for the contraction and the mechanical equation of motion for the muscle. This has most likely been due to the lack of general formalisms for nonlinear systems with chemical-nonchemical coupling valid under the far from equilibrium conditions under which muscle operates physiologically. We have recently developed such formalisms and apply them here to the formulation of muscle contraction to obtain both the chemical and the mechanical equations. The standard formulation up to now has yielded only the dynamic equations for the chemical variables and has considered these to be functions of both time and an appropriate mechanical variable. The macroscopically observable quantities were then obtained by averaging over the mechanical variable. When attempting to derive the dynamics equations for both the chemistry and mechanics this choice of variables leads to conflicting results for the mechanical equation of motion when two different general formalisms are applied. The conflict can be resolved by choosing the variables such that both the chemical variables and the mechanical variables are considered to be functions of time alone. This adds one equation to the set of differential equations to be solved but is actually a simplification of the problem, since these equations are ordinary differential equations, not the partial differential equations of the now standard formulation, and since in this choice of variables the variables themselves are the macroscopic observables the procedure of averaging over the mechanical variable is eliminated. Furthermore, the parameters occurring in the equations at this level of description should be accessible to direct experimental determination.
Green Chemistry: Progress and Barriers
Green, Sarah A.
2016-10-01
Green chemistry can advance both the health of the environment and the primary objectives of the chemical enterprise: to understand the behavior of chemical substances and to use that knowledge to make useful substances. We expect chemical research and manufacturing to be done in a manner that preserves the health and safety of workers; green chemistry extends that expectation to encompass the health and safety of the planet. While green chemistry may currently be treated as an independent branch of research, it should, like safety, eventually become integral to all chemistry activities. While enormous progress has been made in shifting from "brown" to green chemistry, much more effort is needed to effect a sustainable economy. Implementation of new, greener paradigms in chemistry is slow because of lack of knowledge, ends-justify-the-means thinking, systems inertia, and lack of financial or policy incentives.
Scaling Equation for Invariant Measure
LIU Shi-Kuo; FU Zun-Tao; LIU Shi-Da; REN Kui
2003-01-01
An iterated function system (IFS) is constructed. It is shown that the invariant measure of IFS satisfies the same equation as scaling equation for wavelet transform (WT). Obviously, IFS and scaling equation of WT both have contraction mapping principle.
NUCLEAR CHEMISTRY ANNUAL REPORT 1970
Authors, Various
1971-05-01
Papers are presented for the following topics: (1) Nuclear Structure and Nuclear Properties - (a) Nuclear Spectroscopy and Radioactivity; (b) Nuclear Reactions and Scattering; (c) Nuclear Theory; and (d) Fission. (2) Chemical and Atomic Physics - (a) Atomic and Molecular Spectroscopy; and (b) Hyperfine Interactions. (3) Physical, Inorganic, and Analytical Chemistry - (a) X-Ray Crystallography; (b) Physical and Inorganic Chemistry; (c) Radiation Chemistry; and (d) Chemical Engineering. (4) Instrumentation and Systems Development.
Florian Ion Tiberiu Petrescu
2015-09-01
Full Text Available This paper presents the dynamic, original, machine motion equations. The equation of motion of the machine that generates angular speed of the shaft (which varies with position and rotation speed is deduced by conservation kinetic energy of the machine. An additional variation of angular speed is added by multiplying by the coefficient dynamic D (generated by the forces out of mechanism and or by the forces generated by the elasticity of the system. Kinetic energy conservation shows angular speed variation (from the shaft with inertial masses, while the dynamic coefficient introduces the variation of w with forces acting in the mechanism. Deriving the first equation of motion of the machine one can obtain the second equation of motion dynamic. From the second equation of motion of the machine it determines the angular acceleration of the shaft. It shows the distribution of the forces on the mechanism to the internal combustion heat engines. Dynamic, the velocities can be distributed in the same way as forces. Practically, in the dynamic regimes, the velocities have the same timing as the forces. Calculations should be made for an engine with a single cylinder. Originally exemplification is done for a classic distribution mechanism, and then even the module B distribution mechanism of an Otto engine type.
Introduction to partial differential equations
Greenspan, Donald
2000-01-01
Designed for use in a one-semester course by seniors and beginning graduate students, this rigorous presentation explores practical methods of solving differential equations, plus the unifying theory underlying the mathematical superstructure. Topics include basic concepts, Fourier series, second-order partial differential equations, wave equation, potential equation, heat equation, approximate solution of partial differential equations, and more. Exercises appear at the ends of most chapters. 1961 edition.
Veltkamp, David J.(VISITORS); Doherty, Steve D.(BCO); Anderson, B B.(VISITORS); Koch, Mel (University of Washington); Bond, Leonard J.(BATTELLE (PACIFIC NW LAB)); Burgess, Lloyd W.(VISITORS); Ullman, Alan H.(UNKNOWN); Bamberger, Judith A.(BATTELLE (PACIFIC NW LAB)); Greenwood, Margaret S.(BATTELLE (PACIFIC NW LAB))
1999-06-15
This review of process analytical chemistry is an update to the previous review on this subject published in 1995(A2). The time period covered for this review includes publications written or published from late 1994 until early 1999, with the addition of a few classic references pointing to background information critical to an understanding of a specific topic area. These older references have been critically included as established fundamental works. New topics covered in this review not previously treated as separate subjects in past reviews include sampling systems, imaging (via optical spectroscopy), and ultrasonic analysis.
Kraabol, A.G.; Stordal, F.; Knudsen, S. [Norwegian Inst. for Air Research, Kjeller (Norway); Konopka, P. [Deutsche Forschungsanstalt fuer Luft- und Raumfahrt e.V. (DLR), Wessling (Germany). Inst. fuer Physik der Atmosphaere
1997-12-31
An expanding plume model with chemistry has been used to study the chemical conversion of NO{sub x} to reservoir species in aircraft plumes. The heterogeneous conversion of N{sub 2}O{sub 5} to HNO{sub 3}(s) has been investigated when the emissions take place during night-time. The plume from an B747 has been simulated. During a ten-hour calculation the most important reservoir species was HNO{sub 3} for emissions at noon. The heterogeneous reactions had little impact on the chemical loss of NO{sub x} to reservoir species for emissions at night. (author) 4 refs.
2008-01-01
This is an illustration of the analytical procedure of NASA's Phoenix Mars Lander's Wet Chemistry Lab (WCL) on board the Microscopy, Electrochemistry, and Conductivity Analyzer (MECA) instrument. By dissolving small amounts of soil in water, WCL can determine the pH, the abundance of minerals such as magnesium and sodium cations or chloride, bromide and sulfate anions, as well as the conductivity and redox potential. The Phoenix Mission is led by the University of Arizona, Tucson, on behalf of NASA. Project management of the mission is by NASA's Jet Propulsion Laboratory, Pasadena, Calif. Spacecraft development is by Lockheed Martin Space Systems, Denver.
Radiochemistry and nuclear chemistry
Choppin, Gregory; RYDBERG, JAN; Ekberg, Christian
2013-01-01
Radiochemistry or nuclear chemistry is the study of radiation from an atomic and molecular perspective, including elemental transformation and reaction effects, as well as physical, health and medical properties. This revised edition of one of the earliest and best-known books on the subject has been updated to bring into teaching the latest developments in research and the current hot topics in the field. To further enhance the functionality of this text, the authors have added numerous teaching aids, examples in MathCAD with variable quantities and options, hotlinks to relevant text secti
Wainerdi, Richard E
1970-01-01
Analytical Chemistry in Space presents an analysis of the chemical constitution of space, particularly the particles in the solar wind, of the planetary atmospheres, and the surfaces of the moon and planets. Topics range from space engineering considerations to solar system atmospheres and recovered extraterrestrial materials. Mass spectroscopy in space exploration is also discussed, along with lunar and planetary surface analysis using neutron inelastic scattering. This book is comprised of seven chapters and opens with a discussion on the possibilities for exploration of the solar system by
Nuclear Chemistry and Services
Vandevelde, L
2002-04-01
The objectives, the programme, and the achievements of R and D at the Belgian Nuclear Research Centre SCK-CEN in the field of nuclear chemistry and analytical techniques are summarized. Major achievement in 2001 included the completion of a project on the measurement of critical radionuclides in reactor waste fluxes (the ARIANE project), the radiochemical characterisation of beryllium material originating from the second matrix of the BR2 reactor as well as to a the organisation of a workshop on the analysis of thorium and its isotopes in workplace materials.
Physical chemistry II essentials
REA, The Editors of
1992-01-01
REA's Essentials provide quick and easy access to critical information in a variety of different fields, ranging from the most basic to the most advanced. As its name implies, these concise, comprehensive study guides summarize the essentials of the field covered. Essentials are helpful when preparing for exams, doing homework and will remain a lasting reference source for students, teachers, and professionals. Physical Chemistry II includes reaction mechanisms, theoretical approaches to chemical kinetics, gravitational work, electrical and magnetic work, surface work, kinetic theory, collisional and transport properties of gases, statistical mechanics, matter and waves, quantum mechanics, and rotations and vibrations of atoms and molecules.
Introduction to Coordination Chemistry
Lawrance, Geoffrey Alan
2010-01-01
Introduction to Coordination Chemistry examines and explains how metals and molecules that bind as ligands interact, and the consequences of this assembly process. This book describes the chemical and physical properties and behavior of the complex assemblies that form, and applications that may arise as a result of these properties. Coordination complexes are an important but often hidden part of our world?even part of us?and what they do is probed in this book. This book distills the essence of this topic for undergraduate students and for research scientists.
Dickinson, S. E-mail: shirley.dickinson@aeat.co.uk; Sims, H.E.; Belval-Haltier, E.; Jacquemain, D.; Poletiko, C.; Funke, F.; Hellmann, S.; Karjunen, T.; Zilliacus, R
2001-11-01
A shared-cost action on Organic Iodine Chemistry has been completed as part of the CEC 4th Framework programme on Nuclear Fission Safety. Organisations from four EC countries are involved in an integrated programme of experiments and analysis to help clarify the phenomenology, and to increase confidence in the modelling of iodine behaviour in containment. The project is focused on identifying the main routes for organic iodine formation, and providing new experimental kinetic data which will be used to improve existing models and to stimulate code development.
2008-01-01
This is an illustration of soil analysis on NASA's Phoenix Mars Lander's Wet Chemistry Lab (WCL) on board the Microscopy, Electrochemistry, and Conductivity Analyzer (MECA) instrument. By dissolving small amounts of soil in water, WCL will attempt to determine the pH, the abundance of minerals such as magnesium and sodium cations or chloride, bromide and sulfate anions, as well as the conductivity and redox potential. The Phoenix Mission is led by the University of Arizona, Tucson, on behalf of NASA. Project management of the mission is by NASA's Jet Propulsion Laboratory, Pasadena, Calif. Spacecraft development is by Lockheed Martin Space Systems, Denver.
Nuclear Chemistry and Services
Vandevelde, L
2002-04-01
The objectives, the programme, and the achievements of R and D at the Belgian Nuclear Research Centre SCK-CEN in the field of nuclear chemistry and analytical techniques are summarized. Major achievement in 2001 included the completion of a project on the measurement of critical radionuclides in reactor waste fluxes (the ARIANE project), the radiochemical characterisation of beryllium material originating from the second matrix of the BR2 reactor as well as to a the organisation of a workshop on the analysis of thorium and its isotopes in workplace materials.
Murray-Rust, Peter; Mitchell, John BO; Rzepa, Henry S
2005-01-01
Chemical information is now seen as critical for most areas of life sciences. But unlike Bioinformatics, where data is openly available and freely re-usable, most chemical information is closed and cannot be re-distributed without permission. This has led to a failure to adopt modern informatics and software techniques and therefore paucity of chemistry in bioinformatics. New technology, however, offers the hope of making chemical data (compounds and properties) free during the authoring process. We argue that the technology is already available; we require a collective agreement to enhance publication protocols. PMID:15941476
Mitchell John
2005-06-01
Full Text Available Abstract Chemical information is now seen as critical for most areas of life sciences. But unlike Bioinformatics, where data is openly available and freely re-usable, most chemical information is closed and cannot be re-distributed without permission. This has led to a failure to adopt modern informatics and software techniques and therefore paucity of chemistry in bioinformatics. New technology, however, offers the hope of making chemical data (compounds and properties free during the authoring process. We argue that the technology is already available; we require a collective agreement to enhance publication protocols.
Stocker, Jack H.
1998-11-01
This lively collection looks at science as filtered through literature, film, and television. It discusses classic works in science fiction and provides an in-depth look at the chemistry depicted in popular culture, particularly in Start Trek , Star Wars , and Doctor Who . It includes an examination by Nebula Award winner Connie Willis of how science fiction authors use science, and reprints two tongue-in-cheek short stories by Isaac Asimov. The book also includes suggestions for using science fiction as an educational resource.
Rehder, Dieter
2010-01-01
The dynamic field of extraterrestrial chemistry brings together ideas of chemistr, astrophysics, and biology to the study of molecules between stars, around stars, and on plantes. This book serves as an introduction to chemial processes under ?unearthly? and hence usually extreme conditions (temperature, pressure, high or low density, bombardment by cosmic rays), and their impact on the early development of our solar system, as well as providing a deeper understanding of processes in earthly regions where conditions approach those of extraterrestrial areas.A unique and extraordinary perspe
Podcasts in the Chemistry Teaching
Bruno Silva Leite
2016-12-01
Full Text Available Information and Communication Technologies (ICT provide facilities in teaching through education. There are many new tools and methodologies that use ICT as a knowledge-building support, but that are not always related to pedagogical practice. The Podcast is an important technology that can be used in the classroom. Using this tool, it can make the most interactive chemistry class, fleeing the classroom routine. However, it is necessary to point out that the podcast is just one feature that should be incorporated into education and not a substitute. This paper describes the development of Chemistry Podcasts by teachers and chemistry students in three disciplines in 2015. This study took place over a one-year period in a public University, in Pernambuco, Brazil. In the discipline of "Computer applied to the teaching of chemistry" participated 21 Chemistry teachers. In the disciplines of "Information and Communication Technologies in the teaching of chemistry" and "Informatics, Chemistry and Education" was composed of 54 undergraduate students in chemistry. Twelve podcasts were elaborated by students and five by teachers in this paper we present only nine. The results showed the contribution of podcasts produced by teachers and students in teaching and learning process chemistry. DOI: http://dx.doi.org/10.17807/orbital.v0i0.898
Green chemistry: principles and practice.
Anastas, Paul; Eghbali, Nicolas
2010-01-01
Green Chemistry is a relatively new emerging field that strives to work at the molecular level to achieve sustainability. The field has received widespread interest in the past decade due to its ability to harness chemical innovation to meet environmental and economic goals simultaneously. Green Chemistry has a framework of a cohesive set of Twelve Principles, which have been systematically surveyed in this critical review. This article covers the concepts of design and the scientific philosophy of Green Chemistry with a set of illustrative examples. Future trends in Green Chemistry are discussed with the challenge of using the Principles as a cohesive design system (93 references).
Green Chemistry for Chemical Synthesis
Chao-Jun Li; Barry M. Trost
2008-01-01
Green chemistry for chemical synthesis addresses our future challenges in working with chemical processes and products by inventing novel reactions that can maximize the desired products and minimize...
Solid state chemistry an introduction
Smart, Lesley E
2012-01-01
""Smart and Moore are engaging writers, providing clear explanations for concepts in solid-state chemistry from the atomic/molecular perspective. The fourth edition is a welcome addition to my bookshelves. … What I like most about Solid State Chemistry is that it gives simple clear descriptions for a large number of interesting materials and correspondingly clear explanations of their applications. Solid State Chemistry could be used for a solid state textbook at the third or fourth year undergraduate level, especially for chemistry programs. It is also a useful resource for beginning graduate
The physical basis of chemistry
Warren, Warren S
2000-01-01
If the text you're using for general chemistry seems to lack sufficient mathematics and physics in its presentation of classical mechanics, molecular structure, and statistics, this complementary science series title may be just what you're looking for. Written for the advanced lower-division undergraduate chemistry course, The Physical Basis of Chemistry, Second Edition, offers students an opportunity to understand and enrich the understanding of physical chemistry with some quantum mechanics, the Boltzmann distribution, and spectroscopy. Posed and answered are questions concerning eve
Generalization of Hopf Functional Equation
无
2002-01-01
This paper generalizes the Hopf functional equation in order to apply it to a wider class of not necessarily incompressible fluid flows. We start by defining characteristic functionals of the velocity field, the density field and the temperature field of a compressible field. Using the continuity equation, the Navier-Stokes equations and the equation of energy we derive a functional equation governing the motion of an ideal gas flow and a van der Waals gas flow, and then give some general methods of deriving a functional equation governing the motion of any compressible fluid flow. These functional equations can be considered as the generalization of the Hopf functional equation.
Stochastic porous media equations
Barbu, Viorel; Röckner, Michael
2016-01-01
Focusing on stochastic porous media equations, this book places an emphasis on existence theorems, asymptotic behavior and ergodic properties of the associated transition semigroup. Stochastic perturbations of the porous media equation have reviously been considered by physicists, but rigorous mathematical existence results have only recently been found. The porous media equation models a number of different physical phenomena, including the flow of an ideal gas and the diffusion of a compressible fluid through porous media, and also thermal propagation in plasma and plasma radiation. Another important application is to a model of the standard self-organized criticality process, called the "sand-pile model" or the "Bak-Tang-Wiesenfeld model". The book will be of interest to PhD students and researchers in mathematics, physics and biology.
Quasirelativistic Langevin equation.
Plyukhin, A V
2013-11-01
We address the problem of a microscopic derivation of the Langevin equation for a weakly relativistic Brownian particle. A noncovariant Hamiltonian model is adopted, in which the free motion of particles is described relativistically while their interaction is treated classically, i.e., by means of action-to-a-distance interaction potentials. Relativistic corrections to the classical Langevin equation emerge as nonlinear dissipation terms and originate from the nonlinear dependence of the relativistic velocity on momentum. On the other hand, similar nonlinear dissipation forces also appear as classical (nonrelativistic) corrections to the weak-coupling approximation. It is shown that these classical corrections, which are usually ignored in phenomenological models, may be of the same order of magnitude, if not larger than, relativistic ones. The interplay of relativistic corrections and classical beyond-the-weak-coupling contributions determines the sign of the leading nonlinear dissipation term in the Langevin equation and thus is qualitatively important.
Boussinesq evolution equations
Bredmose, Henrik; Schaffer, H.; Madsen, Per A.
2004-01-01
This paper deals with the possibility of using methods and ideas from time domain Boussinesq formulations in the corresponding frequency domain formulations. We term such frequency domain models "evolution equations". First, we demonstrate that the numerical efficiency of the deterministic...... Boussinesq evolution equations of Madsen and Sorensen [Madsen, P.A., Sorensen, O.R., 1993. Bound waves and triad interactions in shallow water. Ocean Eng. 20 359-388] can be improved by using Fast Fourier Transforms to evaluate the nonlinear terms. For a practical example of irregular waves propagating over...... a submerged bar, it is demonstrated that evolution equations utilising FFT can be solved around 100 times faster than the corresponding time domain model. Use of FFT provides an efficient bridge between the frequency domain and the time domain. We utilise this by adapting the surface roller model for wave...
Nonlocal electrical diffusion equation
Gómez-Aguilar, J. F.; Escobar-Jiménez, R. F.; Olivares-Peregrino, V. H.; Benavides-Cruz, M.; Calderón-Ramón, C.
2016-07-01
In this paper, we present an analysis and modeling of the electrical diffusion equation using the fractional calculus approach. This alternative representation for the current density is expressed in terms of the Caputo derivatives, the order for the space domain is 0numerical methods based on Fourier variable separation. The case with spatial fractional derivatives leads to Levy flight type phenomena, while the time fractional equation is related to sub- or super diffusion. We show that the mathematical concept of fractional derivatives can be useful to understand the behavior of semiconductors, the design of solar panels, electrochemical phenomena and the description of anomalous complex processes.
Equations of mathematical physics
Tikhonov, A N
2011-01-01
Mathematical physics plays an important role in the study of many physical processes - hydrodynamics, elasticity, and electrodynamics, to name just a few. Because of the enormous range and variety of problems dealt with by mathematical physics, this thorough advanced-undergraduate or graduate-level text considers only those problems leading to partial differential equations. The authors - two well-known Russian mathematicians - have focused on typical physical processes and the principal types of equations deailing with them. Special attention is paid throughout to mathematical formulation, ri
Gas Dynamics Equations: Computation
Chen, Gui-Qiang G
2012-01-01
Shock waves, vorticity waves, and entropy waves are fundamental discontinuity waves in nature and arise in supersonic or transonic gas flow, or from a very sudden release (explosion) of chemical, nuclear, electrical, radiation, or mechanical energy in a limited space. Tracking these discontinuities and their interactions, especially when and where new waves arise and interact in the motion of gases, is one of the main motivations for numerical computation for the gas dynamics equations. In this paper, we discuss some historic and recent developments, as well as mathematical challenges, in designing and formulating efficient numerical methods and algorithms to compute weak entropy solutions for the Euler equations for gas dynamics.
Theory of differential equations
Gel'fand, I M
1967-01-01
Generalized Functions, Volume 3: Theory of Differential Equations focuses on the application of generalized functions to problems of the theory of partial differential equations.This book discusses the problems of determining uniqueness and correctness classes for solutions of the Cauchy problem for systems with constant coefficients and eigenfunction expansions for self-adjoint differential operators. The topics covered include the bounded operators in spaces of type W, Cauchy problem in a topological vector space, and theorem of the Phragmén-Lindelöf type. The correctness classes for the Cau
Systematic Equation Formulation
Lindberg, Erik
2007-01-01
A tutorial giving a very simple introduction to the set-up of the equations used as a model for an electrical/electronic circuit. The aim is to find a method which is as simple and general as possible with respect to implementation in a computer program. The “Modified Nodal Approach”, MNA, and th......, and the “Controlled Source Approach”, CSA, for systematic equation formulation are investigated. It is suggested that the kernel of the P Spice program based on MNA is reprogrammed....
Generalized estimating equations
Hardin, James W
2002-01-01
Although powerful and flexible, the method of generalized linear models (GLM) is limited in its ability to accurately deal with longitudinal and clustered data. Developed specifically to accommodate these data types, the method of Generalized Estimating Equations (GEE) extends the GLM algorithm to accommodate the correlated data encountered in health research, social science, biology, and other related fields.Generalized Estimating Equations provides the first complete treatment of GEE methodology in all of its variations. After introducing the subject and reviewing GLM, the authors examine th
Ding Yi
2009-01-01
In this article, the author derives a functional equation η(s)=［(π/4)s-1/2√2/πг(1-s)sin(πs/2)]η(1-s) of the analytic function η(s) which is defined by η(s)=1-s-3-s-5-s+7-s…for complex variable s with Re s>1, and is defined by analytic continuation for other values of s. The author proves (1) by Ramanujan identity (see [1], [3]). Her method provides a new derivation of the functional equation of Riemann zeta function by using Poisson summation formula.
Art in Chemistry: Chemistry in Art. Second Edition
Greenberg, Barbara R.; Patterson, Dianne
2008-01-01
This textbook integrates chemistry and art with hands-on activities and fascinating demonstrations that enable students to see and understand how the science of chemistry is involved in the creation of art. It investigates such topics as color integrated with electromagnetic radiation, atoms, and ions; paints integrated with classes of matter,…
Introducing Chemistry Students to the "Real World" of Chemistry
Brown, Michael E.; Cosser, Ronald C.; Davies-Coleman, Michael T.; Kaye, Perry T.; Klein, Rosalyn; Lamprecht, Emmanuel; Lobb, Kevin; Nyokong, Tebello; Sewry, Joyce D.; Tshentu, Zenixole R.; van der Zeyde, Tino; Watkins, Gareth M.
2010-01-01
A majority of chemistry graduates seek employment in a rapidly changing chemical industry. Our attempts to provide the graduates with skills in entrepreneurship and the ability to understand and communicate with their chemical engineering colleagues, in addition to their fundamental knowledge of chemistry, are described. This is done at…
Medicinal Chemistry/Pharmacology in Sophomore Organic Chemistry.
Harrison, Aline M.
1989-01-01
Discussed is a series of lectures designed to illustrate the use of general organic chemical principles in molecular biology, introduce current research in interdisciplinary areas to the beginner, increase interest in organic chemistry, and bridge the gap between traditional organic chemistry, biology, and the consumer. An outline is presented.…
A Quantum Chemistry Concept Inventory for Physical Chemistry Classes
Dick-Perez, Marilu; Luxford, Cynthia J.; Windus, Theresa L.; Holme, Thomas
2016-01-01
A 14-item, multiple-choice diagnostic assessment tool, the quantum chemistry concept inventory or QCCI, is presented. Items were developed based on published student misconceptions and content coverage and then piloted and used in advanced physical chemistry undergraduate courses. In addition to the instrument itself, data from both a pretest,…
Art in Chemistry: Chemistry in Art. Second Edition
Greenberg, Barbara R.; Patterson, Dianne
2008-01-01
This textbook integrates chemistry and art with hands-on activities and fascinating demonstrations that enable students to see and understand how the science of chemistry is involved in the creation of art. It investigates such topics as color integrated with electromagnetic radiation, atoms, and ions; paints integrated with classes of matter,…
Introducing Chemistry Students to the "Real World" of Chemistry
Brown, Michael E.; Cosser, Ronald C.; Davies-Coleman, Michael T.; Kaye, Perry T.; Klein, Rosalyn; Lamprecht, Emmanuel; Lobb, Kevin; Nyokong, Tebello; Sewry, Joyce D.; Tshentu, Zenixole R.; van der Zeyde, Tino; Watkins, Gareth M.
2010-01-01
A majority of chemistry graduates seek employment in a rapidly changing chemical industry. Our attempts to provide the graduates with skills in entrepreneurship and the ability to understand and communicate with their chemical engineering colleagues, in addition to their fundamental knowledge of chemistry, are described. This is done at…
A Quantum Chemistry Concept Inventory for Physical Chemistry Classes
Dick-Perez, Marilu; Luxford, Cynthia J.; Windus, Theresa L.; Holme, Thomas
2016-01-01
A 14-item, multiple-choice diagnostic assessment tool, the quantum chemistry concept inventory or QCCI, is presented. Items were developed based on published student misconceptions and content coverage and then piloted and used in advanced physical chemistry undergraduate courses. In addition to the instrument itself, data from both a pretest,…
Complex Protostellar Chemistry
Nuth, Joseph A., III; Johnson, Natasha M.
2012-01-01
Two decades ago, our understanding of the chemistry in protostars was simple-matter either fell into the central star or was trapped in planetary-scale objects. Some minor chemical changes might occur as the dust and gas fell inward, but such effects were overwhelmed by the much larger scale processes that occurred even in bodies as small as asteroids. The chemistry that did occur in the nebula was relatively easy to model because the fall from the cold molecular cloud into the growing star was a one-way trip down a well-known temperature-pressure gradient; the only free variable was time. However, just over 10 years ago it was suggested that some material could be processed in the inner nebula, flow outward, and become incorporated into comets (1, 2). This outward flow was confirmed when the Stardust mission returned crystalline mineral fragments (3) from Comet Wild 2 that must have been processed close to the Sun before they were incorporated into the comet. In this week's Science Express, Ciesla and Sandford (4) demonstrate that even the outermost regions of the solar nebula can be a chemically active environment. Their finding could have consequences for the rest of the nebula.
Complex Protostellar Chemistry
Nuth, Joseph A., III; Johnson, Natasha M.
2012-01-01
Two decades ago, our understanding of the chemistry in protostars was simple-matter either fell into the central star or was trapped in planetary-scale objects. Some minor chemical changes might occur as the dust and gas fell inward, but such effects were overwhelmed by the much larger scale processes that occurred even in bodies as small as asteroids. The chemistry that did occur in the nebula was relatively easy to model because the fall from the cold molecular cloud into the growing star was a one-way trip down a well-known temperature-pressure gradient; the only free variable was time. However, just over 10 years ago it was suggested that some material could be processed in the inner nebula, flow outward, and become incorporated into comets (1, 2). This outward flow was confirmed when the Stardust mission returned crystalline mineral fragments (3) from Comet Wild 2 that must have been processed close to the Sun before they were incorporated into the comet. In this week's Science Express, Ciesla and Sandford (4) demonstrate that even the outermost regions of the solar nebula can be a chemically active environment. Their finding could have consequences for the rest of the nebula.
Comparison of Kernel Equating and Item Response Theory Equating Methods
Meng, Yu
2012-01-01
The kernel method of test equating is a unified approach to test equating with some advantages over traditional equating methods. Therefore, it is important to evaluate in a comprehensive way the usefulness and appropriateness of the Kernel equating (KE) method, as well as its advantages and disadvantages compared with several popular item…
Test equating methods and practices
Kolen, Michael J
1995-01-01
In recent years, many researchers in the psychology and statistical communities have paid increasing attention to test equating as issues of using multiple test forms have arisen and in response to criticisms of traditional testing techniques This book provides a practically oriented introduction to test equating which both discusses the most frequently used equating methodologies and covers many of the practical issues involved The main themes are - the purpose of equating - distinguishing between equating and related methodologies - the importance of test equating to test development and quality control - the differences between equating properties, equating designs, and equating methods - equating error, and the underlying statistical assumptions for equating The authors are acknowledged experts in the field, and the book is based on numerous courses and seminars they have presented As a result, educators, psychometricians, professionals in measurement, statisticians, and students coming to the subject for...
Integrating UNESCO ICT-Based Instructional Materials in Chemistry Lessons
CHARLIE P. NACARIO
2014-08-01
Full Text Available This study determined the effectiveness of the lessons in Chemistry integrating UNESCO ICT-based instructional material on the achievement of Chemistry students at Central Bicol State University of Agriculture. It aimed to identify lessons that may be developed integrating UNESCO ICT-based instructional materials, determine the effect of the developed lessons using the material on: conceptual understanding; science process skills; and attitude towards chemistry and gather insights from the experiences of the students and teacher. The study used the single group pretest and posttest experimental design. Descriptive, quantitative and qualitative techniques were also utilized. Quantitative data were taken from the pretest-posttest results on the Test on Conceptual Understanding, Science Process Skills and Chemistry Attitudinaire. Qualitative data were drawn from the experts’ assessment of the developed lessons and research instruments, and the insights of students and teacher. The developed lessons integrating UNESCO ICT-based instructional materials were Atomic Model and Structure, Periodic Table of Elements, Chemical Bonding, and Balancing Chemical Equation. These lessons increased the conceptual understanding of the students by topic and skill from very low mastery to average mastery level. The students have slightly improved along the different science process skills. After teaching the lessons, the students’ attitude also improved. The students became more motivated and interested in Chemistry and the lessons were student centered and entailed teacher’s competence and flexibility in computer use.
From organic chemistry to fat and oil chemistry*
Deffense Etienne
2009-01-01
Full Text Available With his work on animal fat and identification of fatty acids, Chevreul was a pioneer in organic chemistry. As Chevreul, I had a passion for organic chemistry too. It was then, an honour and a pleasure to present in 2008 at EFL in Athens this presentation entitled “From organic chemistry to fat and oil chemistry” because my background in organic chemistry helped me all along my professional career to understand and implement new developments related to oil and fat technology and processing. Among the topics which I worked out, I highlighted more particularly the following subjects: the degumming chemistry of oil and fat; the improvement of physical refining; a new chemical analytical tool for the dry fractionation; new development in the dry fractionation
Green Chemistry Metrics with Special Reference to Green Analytical Chemistry.
Tobiszewski, Marek; Marć, Mariusz; Gałuszka, Agnieszka; Namieśnik, Jacek
2015-06-12
The concept of green chemistry is widely recognized in chemical laboratories. To properly measure an environmental impact of chemical processes, dedicated assessment tools are required. This paper summarizes the current state of knowledge in the field of development of green chemistry and green analytical chemistry metrics. The diverse methods used for evaluation of the greenness of organic synthesis, such as eco-footprint, E-Factor, EATOS, and Eco-Scale are described. Both the well-established and recently developed green analytical chemistry metrics, including NEMI labeling and analytical Eco-scale, are presented. Additionally, this paper focuses on the possibility of the use of multivariate statistics in evaluation of environmental impact of analytical procedures. All the above metrics are compared and discussed in terms of their advantages and disadvantages. The current needs and future perspectives in green chemistry metrics are also discussed.
Green Chemistry Metrics with Special Reference to Green Analytical Chemistry
Marek Tobiszewski
2015-06-01
Full Text Available The concept of green chemistry is widely recognized in chemical laboratories. To properly measure an environmental impact of chemical processes, dedicated assessment tools are required. This paper summarizes the current state of knowledge in the field of development of green chemistry and green analytical chemistry metrics. The diverse methods used for evaluation of the greenness of organic synthesis, such as eco-footprint, E-Factor, EATOS, and Eco-Scale are described. Both the well-established and recently developed green analytical chemistry metrics, including NEMI labeling and analytical Eco-scale, are presented. Additionally, this paper focuses on the possibility of the use of multivariate statistics in evaluation of environmental impact of analytical procedures. All the above metrics are compared and discussed in terms of their advantages and disadvantages. The current needs and future perspectives in green chemistry metrics are also discussed.
The Statistical Drake Equation
Maccone, Claudio
2010-12-01
We provide the statistical generalization of the Drake equation. From a simple product of seven positive numbers, the Drake equation is now turned into the product of seven positive random variables. We call this "the Statistical Drake Equation". The mathematical consequences of this transformation are then derived. The proof of our results is based on the Central Limit Theorem (CLT) of Statistics. In loose terms, the CLT states that the sum of any number of independent random variables, each of which may be ARBITRARILY distributed, approaches a Gaussian (i.e. normal) random variable. This is called the Lyapunov Form of the CLT, or the Lindeberg Form of the CLT, depending on the mathematical constraints assumed on the third moments of the various probability distributions. In conclusion, we show that: The new random variable N, yielding the number of communicating civilizations in the Galaxy, follows the LOGNORMAL distribution. Then, as a consequence, the mean value of this lognormal distribution is the ordinary N in the Drake equation. The standard deviation, mode, and all the moments of this lognormal N are also found. The seven factors in the ordinary Drake equation now become seven positive random variables. The probability distribution of each random variable may be ARBITRARY. The CLT in the so-called Lyapunov or Lindeberg forms (that both do not assume the factors to be identically distributed) allows for that. In other words, the CLT "translates" into our statistical Drake equation by allowing an arbitrary probability distribution for each factor. This is both physically realistic and practically very useful, of course. An application of our statistical Drake equation then follows. The (average) DISTANCE between any two neighboring and communicating civilizations in the Galaxy may be shown to be inversely proportional to the cubic root of N. Then, in our approach, this distance becomes a new random variable. We derive the relevant probability density
Karayannis, Miltiades I; Efstathiou, Constantinos E
2012-12-15
In this review the history of chemistry and specifically the history and the significant steps of the evolution of analytical chemistry are presented. In chronological time spans, covering the ancient world, the middle ages, the period of the 19th century, and the three evolutional periods, from the verge of the 19th century to contemporary times, it is given information for the progress of chemistry and analytical chemistry. During this period, analytical chemistry moved gradually from its pure empirical nature to more rational scientific activities, transforming itself to an autonomous branch of chemistry and a separate discipline. It is also shown that analytical chemistry moved gradually from the status of exclusive serving the chemical science, towards serving, the environment, health, law, almost all areas of science and technology, and the overall society. Some recommendations are also directed to analytical chemistry educators concerning the indispensable nature of knowledge of classical analytical chemistry and the associated laboratory exercises and to analysts, in general, why it is important to use the chemical knowledge to make measurements on problems of everyday life.
Variation principle of piezothermoelastic bodies, canonical equation and homogeneous equation
LIU Yan-hong; ZHANG Hui-ming
2007-01-01
Combining the symplectic variations theory, the homogeneous control equation and isoparametric element homogeneous formulations for piezothermoelastic hybrid laminates problems were deduced. Firstly, based on the generalized Hamilton variation principle, the non-homogeneous Hamilton canonical equation for piezothermoelastic bodies was derived. Then the symplectic relationship of variations in the thermal equilibrium formulations and gradient equations was considered, and the non-homogeneous canonical equation was transformed to homogeneous control equation for solving independently the coupling problem of piezothermoelastic bodies by the incensement of dimensions of the canonical equation. For the convenience of deriving Hamilton isoparametric element formulations with four nodes, one can consider the temperature gradient equation as constitutive relation and reconstruct new variation principle. The homogeneous equation simplifies greatly the solution programs which are often performed to solve nonhomogeneous equation and second order differential equation on the thermal equilibrium and gradient relationship.
Calculus & ordinary differential equations
Pearson, David
1995-01-01
Professor Pearson's book starts with an introduction to the area and an explanation of the most commonly used functions. It then moves on through differentiation, special functions, derivatives, integrals and onto full differential equations. As with other books in the series the emphasis is on using worked examples and tutorial-based problem solving to gain the confidence of students.
Standardized Referente Evapotranspiration Equation
M.D. Mundo–Molina
2009-04-01
Full Text Available In this paper is presented a discussion on the necessity to standardize the Penman–Monteith equations in order to estimate ETo. The proposal is to define an accuracy and standarize equation based in Penman–Monteith. The automated weather station named CIANO (27° 22 ' 144 North latitude and 109" 55' west longitude it was selected tomake comparisons. The compared equations we re: a CIANO weat her station, b Penman–Monteith ASCE (PMA, Penman–Monteith FAO 56 (PM FAO 56, Penman–Monteith estandarizado ASCE (PM Std. ASCE. The results were: a There are important differences between PMA and CIANO weather station. The differences are attributed to the nonstandardization of the equation CIANO weather station, b The coefficient of correlation between both methods was of 0,92, with a standard deviation of 1,63 mm, an average quadratic error of 0,60 mm and one efficiency in the estimation of ETo with respect to the method pattern of 87%.
Modified differential equations
Chartier, Philippe; Hairer, Ernst; Vilmart, Gilles
2007-01-01
Motivated by the theory of modified differential equations (backward error analysis) an approach for the construction of high order numerical integrators that preserve geometric properties of the exact flow is developed. This summarises a talk presented in honour of Michel Crouzeix.
Equational binary decision diagrams
Groote, J.F.; Pol, J.C. van de
2000-01-01
We incorporate equations in binary decision diagrams (BDD). The resulting objects are called EQ-BDDs. A straightforward notion of ordered EQ-BDDs (EQ-OBDD) is defined, and it is proved that each EQ-BDD is logically equivalent to an EQ-OBDD. Moreover, on EQ-OBDDs satisfiability and tautology checkin
Garkavenko A. S.
2011-08-01
Full Text Available The rate equations of the exciton laser in the system of interacting excitons have been obtained and the inverted population conditions and generation have been derived. The possibility of creating radically new gamma-ray laser has been shown.
Equational binary decision diagrams
J.F. Groote (Jan Friso); J.C. van de Pol (Jaco)
2000-01-01
textabstractWe incorporate equations in binary decision diagrams (BDD). The resulting objects are called EQ-BDDs. A straightforward notion of ordered EQ-BDDs (EQ-OBDD) is defined, and it is proved that each EQ-BDD is logically equivalent to an EQ-OBDD. Moreover, on EQ-OBDDs satisfiability and
Structural Equation Model Trees
Brandmaier, Andreas M.; von Oertzen, Timo; McArdle, John J.; Lindenberger, Ulman
2013-01-01
In the behavioral and social sciences, structural equation models (SEMs) have become widely accepted as a modeling tool for the relation between latent and observed variables. SEMs can be seen as a unification of several multivariate analysis techniques. SEM Trees combine the strengths of SEMs and the decision tree paradigm by building tree…
Generalized reduced magnetohydrodynamic equations
Kruger, S.E.
1999-02-01
A new derivation of reduced magnetohydrodynamic (MHD) equations is presented. A multiple-time-scale expansion is employed. It has the advantage of clearly separating the three time scales of the problem associated with (1) MHD equilibrium, (2) fluctuations whose wave vector is aligned perpendicular to the magnetic field, and (3) those aligned parallel to the magnetic field. The derivation is carried out without relying on a large aspect ratio assumption; therefore this model can be applied to any general configuration. By accounting for the MHD equilibrium and constraints to eliminate the fast perpendicular waves, equations are derived to evolve scalar potential quantities on a time scale associated with the parallel wave vector (shear-Alfven wave time scale), which is the time scale of interest for MHD instability studies. Careful attention is given in the derivation to satisfy energy conservation and to have manifestly divergence-free magnetic fields to all orders in the expansion parameter. Additionally, neoclassical closures and equilibrium shear flow effects are easily accounted for in this model. Equations for the inner resistive layer are derived which reproduce the linear ideal and resistive stability criterion of Glasser, Greene, and Johnson. The equations have been programmed into a spectral initial value code and run with shear flow that is consistent with the equilibrium input into the code. Linear results of tearing modes with shear flow are presented which differentiate the effects of shear flow gradients in the layer with the effects of the shear flow decoupling multiple harmonics.
Hatem Mejjaoli
2008-12-01
Full Text Available We introduce and study the Dunkl symmetric systems. We prove the well-posedness results for the Cauchy problem for these systems. Eventually we describe the finite speed of it. Next the semi-linear Dunkl-wave equations are also studied.
Equational binary decision diagrams
J.F. Groote (Jan Friso); J.C. van de Pol (Jaco)
2000-01-01
textabstractWe incorporate equations in binary decision diagrams (BDD). The resulting objects are called EQ-BDDs. A straightforward notion of ordered EQ-BDDs (EQ-OBDD) is defined, and it is proved that each EQ-BDD is logically equivalent to an EQ-OBDD. Moreover, on EQ-OBDDs satisfiability and tauto
Numerical algorithms in chemistry: algebraic methods. [Workshop, August 9-11, 1978
Moler, C.; Shavitt, I. (eds.)
1978-08-09
The National Resource for Computation in Chemistry was established to make information on existing and developing computational methodologies available to all segments of the chemistry community, to make state-of-the-art computation facilities accessible to the chemistry community, and to foster research and development of new computational methods for application to chemical problems. Attention was directed to algebraic methods because of their continuing importance in chemical applications. This volume contains digests of the contributions to the workshop of August 9--11, 1978. Presentations were given on eigenvalue problems, linear systems of equations, and integral transformations. One of the papers in this volume was abstracted and indexed separately. (RWR)
Organic Chemistry Software from COMPress.
Ball, Sister Isabel
1982-01-01
Reviews three organic chemistry computer programs for TRS-80 and Apple microcomputers. Programs include "Introduction to Organic Chemistry,""Qualitative Organic Analysis," and a game called "Chemrain." Indicates that all three produce a readable screen, require exact responses, use graphics in an appealingly and…
News from Online: Green Chemistry
Uffelman, Erich S.
2004-01-01
Green chemistry closely relates to energy and environmental problems, and includes the promotion of environmental friendly products and systems within the framework of renewable resources. Various websites on green chemistry are reviewed, one of which lists the 12 commandments of this particular subject.
Annual Report 1984. Chemistry Department
Funck, Jytte; Nielsen, Ole John
This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1984 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry...
Contextualising Nanotechnology in Chemistry Education
O'Connor, Christine; Hayden, Hugh
2008-01-01
In recent years nanotechnology has become part of the content of many undergraduate chemistry and physics degree courses. This paper deals with the role of contextualisation of nanotechnology in the delivery of the content, as nanotechnology is only now being slowly integrated into many chemistry degree courses in Ireland and elsewhere. An…
750 Reasons To Celebrate Chemistry!
Compton, Neville
2017-06-12
Time to reflect: This issue marks the 750th issue of Chemistry-A European Journal. The journal has played a significant role in changing chemistry. Its history has featured top papers from top authors for more than 20 years. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Chemistry Teachers' Views of Creativity
Akkanat, Çigdem; Gökdere, Murat
2015-01-01
The purpose of this study was to determine chemistry teachers' views of creativity. In this study, phenomenology method, one of the qualitative research patterns, was used. The participants of this study were 13 chemistry teachers working in Amasya. A semi-structured interview form was used for data collection. By using NVivo 9 qualitative…
Fundamentals of Aqueous Microwave Chemistry
The first chemical revolution changed modern life with a host of excellent amenities and services, but created serious problems related to environmental pollution. After 150 years of current chemistry principles and practices, we need a radical change to a new type of chemistry k...
Contextualising Nanotechnology in Chemistry Education
O'Connor, Christine; Hayden, Hugh
2008-01-01
In recent years nanotechnology has become part of the content of many undergraduate chemistry and physics degree courses. This paper deals with the role of contextualisation of nanotechnology in the delivery of the content, as nanotechnology is only now being slowly integrated into many chemistry degree courses in Ireland and elsewhere. An…
[Photonic crystals for analytical chemistry].
Chen, Yi; Li, Jincheng
2009-09-01
Photonic crystals, originally created to control the transmission of light, have found their increasing value in the field of analytical chemistry and are probable to become a hot research area soon. This review is hence composed, focusing on their analytical chemistry-oriented applications, including especially their use in chromatography, capillary- and chip-based electrophoresis.
Remedial Mathematics for Quantum Chemistry
Koopman, Lodewijk; Brouwer, Natasa; Heck, Andre; Buma, Wybren Jan
2008-01-01
Proper mathematical skills are important for every science course and mathematics-intensive chemistry courses rely on a sound mathematical pre-knowledge. In the first-year quantum chemistry course at this university, it was noticed that many students lack basic mathematical knowledge. To tackle the mathematics problem, a remedial mathematics…
Crocodile Chemistry. [CD-ROM].
1999
This high school chemistry resource is an on-screen chemistry lab. In the program, students can experiment with a huge range of chemicals, choosing the form, quantity and concentrations. Dangerous or difficult experiments can be investigated safely and easily. A vast range of equipment can be set up, and complex simulations can be put together and…
Chemistry Teachers' Views of Creativity
Akkanat, Çigdem; Gökdere, Murat
2015-01-01
The purpose of this study was to determine chemistry teachers' views of creativity. In this study, phenomenology method, one of the qualitative research patterns, was used. The participants of this study were 13 chemistry teachers working in Amasya. A semi-structured interview form was used for data collection. By using NVivo 9 qualitative…
Rethinking Undergraduate Physical Chemistry Curricula
Miller, Stephen R.
2016-01-01
A summary of fundamental changes made to the undergraduate physical chemistry curriculum in the Chemistry Department at Gustavus Adolphus College (beginning in the 2013-2014 academic year) is presented. The yearlong sequence now consists of an introductory semester covering both quantum mechanics and thermodynamics/kinetics, followed by a second…
Rethinking Undergraduate Physical Chemistry Curricula
Miller, Stephen R.
2016-01-01
A summary of fundamental changes made to the undergraduate physical chemistry curriculum in the Chemistry Department at Gustavus Adolphus College (beginning in the 2013-2014 academic year) is presented. The yearlong sequence now consists of an introductory semester covering both quantum mechanics and thermodynamics/kinetics, followed by a second…
Chemistry of Art and Color Sudoku Puzzles
Welsh, Michael J.
2007-01-01
Sudoku puzzle format was used to teach light science and chemistry terms to students of Chemistry of Art and Color. The puzzles were used to motivate and encourage students to learn chemistry in an easier and in friendly fashion.
Learning Environment as Correlates of Chemistry Students ...
gold
2012-07-26
Jul 26, 2012 ... together predict students‟ achievement in chemistry as well as their relative contribution to the ... secondary certificate examinations in 2010/2011 school year, and their 241 chemistry ... LEQI had 11 sections- chemistry ...
Belowich, Matthew E; Stoddart, J Fraser
2012-03-21
Formation of an imine--from an amine and an aldehyde--is a reversible reaction which operates under thermodynamic control such that the formation of kinetically competitive intermediates are, in the fullness of time, replaced by the thermodynamically most stable product(s). For this fundamental reason, the imine bond has emerged as an extraordinarily diverse and useful one in the hands of synthetic chemists. Imine bond formation is one of a handful of reactions which define a discipline known as dynamic covalent chemistry (DCC), which is now employed widely in the construction of exotic molecules and extended structures on account of the inherent 'proof-reading' and 'error-checking' associated with these reversible reactions. While both supramolecular chemistry and DCC operate under the regime of reversibility, DCC has the added advantage of constructing robust molecules on account of the formation of covalent bonds rather than fragile supermolecules resulting from noncovalent bonding interactions. On the other hand, these products tend to require more time to form--sometimes days or even months--but their formation can often be catalysed. In this manner, highly symmetrical molecules and extended structures can be prepared from relatively simple precursors. When DCC is utilised in conjunction with template-directed protocols--which rely on the use of noncovalent bonding interactions between molecular building blocks in order to preorganise them into certain relative geometries as a prelude to the formation of covalent bonds under equilibrium control--an additional level of control of structure and topology arises which offers a disarmingly simple way of constructing mechanically-interlocked molecules, such as rotaxanes, catenanes, Borromean rings, and Solomon knots. This tutorial review focuses on the use of dynamic imine bonds in the construction of compounds and products formed with and without the aid of additional templates. While synthesis under thermodynamic
Lie Symmetries of Ishimori Equation
SONG Xu-Xia
2013-01-01
The Ishimori equation is one of the most important (2+1)-dimensional integrable models,which is an integrable generalization of (1+1)-dimensional classical continuous Heisenberg ferromagnetic spin equations.Based on importance of Lie symmetries in analysis of differential equations,in this paper,we derive Lie symmetries for the Ishimori equation by Hirota's direct method.
Lectures on partial differential equations
Petrovsky, I G
1992-01-01
Graduate-level exposition by noted Russian mathematician offers rigorous, transparent, highly readable coverage of classification of equations, hyperbolic equations, elliptic equations and parabolic equations. Wealth of commentary and insight invaluable for deepening understanding of problems considered in text. Translated from the Russian by A. Shenitzer.
Complex Autocatalysis in Simple Chemistries.
Virgo, Nathaniel; Ikegami, Takashi; McGregor, Simon
2016-01-01
Life on Earth must originally have arisen from abiotic chemistry. Since the details of this chemistry are unknown, we wish to understand, in general, which types of chemistry can lead to complex, lifelike behavior. Here we show that even very simple chemistries in the thermodynamically reversible regime can self-organize to form complex autocatalytic cycles, with the catalytic effects emerging from the network structure. We demonstrate this with a very simple but thermodynamically reasonable artificial chemistry model. By suppressing the direct reaction from reactants to products, we obtain the simplest kind of autocatalytic cycle, resulting in exponential growth. When these simple first-order cycles are prevented from forming, the system achieves superexponential growth through more complex, higher-order autocatalytic cycles. This leads to nonlinear phenomena such as oscillations and bistability, the latter of which is of particular interest regarding the origins of life.
Handbook of relativistic quantum chemistry
Liu, Wenjian (ed.) [Peking Univ., Beijing (China). Center for Computational Science and Engineering
2017-03-01
This handbook focuses on the foundations of relativistic quantum mechanics and addresses a number of fundamental issues never covered before in a book. For instance: How can many-body theory be combined with quantum electrodynamics? How can quantum electrodynamics be interfaced with relativistic quantum chemistry? What is the most appropriate relativistic many-electron Hamiltonian? How can we achieve relativistic explicit correlation? How can we formulate relativistic properties? - just to name a few. Since relativistic quantum chemistry is an integral component of computational chemistry, this handbook also supplements the ''Handbook of Computational Chemistry''. Generally speaking, it aims to establish the 'big picture' of relativistic molecular quantum mechanics as the union of quantum electrodynamics and relativistic quantum chemistry. Accordingly, it provides an accessible introduction for readers new to the field, presents advanced methodologies for experts, and discusses possible future perspectives, helping readers understand when/how to apply/develop the methodologies.
Elements of partial differential equations
Sneddon, Ian N
2006-01-01
Geared toward students of applied rather than pure mathematics, this volume introduces elements of partial differential equations. Its focus is primarily upon finding solutions to particular equations rather than general theory.Topics include ordinary differential equations in more than two variables, partial differential equations of the first and second orders, Laplace's equation, the wave equation, and the diffusion equation. A helpful Appendix offers information on systems of surfaces, and solutions to the odd-numbered problems appear at the end of the book. Readers pursuing independent st
Pollution prevention through chemistry
Breen, J.J.; Anastas, P.T.; Hassur, S.M.; Tobin, P.S. [Environmental Protection Agency, Washington, DC (United States). Office of Pollution Prevention and Toxics
1995-09-01
Prosperity without pollution, and the consideration of how to achieve this economic and environmental imperative, has become the fundamental environmental theme of the 1990s. The new strategy--pollution prevention--will serve s the keystone of federal, state, and local environmental policy. The challenge is to switch from two decades of environmental policy based on pollution controls and government-mandated regulations to a future environmental policy based on pollution prevention, source reduction, recycling, and waste minimization. To make this change will require a new social compact among environmental, industrial, and regulatory interests. This chapter focuses on the role of chemistry and the contributions of synthetic and process analytical chemists. It also describes the implementation of pollution prevention concepts into the premanufacturing notice review process mandated by Section 5 of the Toxic Substances Control Act (TSCA) and discusses the implications of pollution prevention for chemical safety. 55 refs.
Rapid automated nuclear chemistry
Meyer, R.A.
1979-05-31
Rapid Automated Nuclear Chemistry (RANC) can be thought of as the Z-separation of Neutron-rich Isotopes by Automated Methods. The range of RANC studies of fission and its products is large. In a sense, the studies can be categorized into various energy ranges from the highest where the fission process and particle emission are considered, to low energies where nuclear dynamics are being explored. This paper presents a table which gives examples of current research using RANC on fission and fission products. The remainder of this text is divided into three parts. The first contains a discussion of the chemical methods available for the fission product elements, the second describes the major techniques, and in the last section, examples of recent results are discussed as illustrations of the use of RANC.
Mason, Diana S.
2002-04-01
Other fun things in this issue include three Quote Boxes by Olney (3) that will allow your students to engage in deductive reasoning to solve the puzzles. Kelkar (4) presents a slightly more difficult but very clever mystery element game; it provides clues to element symbols that all fit into a single matrix. Ibanez's game (5) lists popular sayings or proverbs and the student's job is to match each with an analogous chemical phenomenon. As always, answers are provided. For the more sophisticated among us, there is Who Wants to Be a Chemist Extraordinaire? devised by Campbell and Muzyka (6), who describe their use of online chemistry game shows patterned on popular TV programs. Examples of the HTML files with sample questions are available through JCE Online. These are just some of the many suggestions that can be found in this issue of JCE. Try a few, you might like them!
Beryllium chemistry and processing
Walsh, Kenneth A
2009-01-01
This book introduces beryllium; its history, its chemical, mechanical, and physical properties including nuclear properties. The 29 chapters include the mineralogy of beryllium and the preferred global sources of ore bodies. The identification and specifics of the industrial metallurgical processes used to form oxide from the ore and then metal from the oxide are thoroughly described. The special features of beryllium chemistry are introduced, including analytical chemical practices. Beryllium compounds of industrial interest are identified and discussed. Alloying, casting, powder processing, forming, metal removal, joining and other manufacturing processes are covered. The effect of composition and process on the mechanical and physical properties of beryllium alloys assists the reader in material selection. The physical metallurgy chapter brings conformity between chemical and physical metallurgical processing of beryllium, metal, alloys, and compounds. The environmental degradation of beryllium and its all...
Chang, S.; Scattergood, T.; Aronowitz, S.; Flores, J.
1979-01-01
Features taken from various models of Titan's atmosphere are combined in a working composite model that provides environmental constraints within which different pathways for organic chemical synthesis are determined. Experimental results and theoretical modeling suggest that the organic chemistry of the satellite is dominated by two processes: photochemistry and energetic particle bombardment. Photochemical reactions of CH4 in the upper atmosphere can account for the presence of C2 hydrocarbons. Reactions initiated at various levels of the atmosphere by cosmic rays, Saturn 'wind', and solar wind particle bombardment of a CH4-N2 atmospheric mixture can account for the UV-visible absorbing stratospheric haze, the reddish appearance of the satellite, and some of the C2 hydrocarbons. In the lower atmosphere photochemical processes will be important if surface temperatures are sufficiently high for gaseous NH3 to exist. It is concluded that the surface of Titan may contain ancient or recent organic matter (or both) produced in the atmosphere.
Introduction to structural chemistry
Batsanov, Stepan S
2014-01-01
A concise description of models and quantitative parameters in structural chemistry and their interrelations, with 280 tables and >3000 references giving the most up-to-date experimental data on energy characteristics of atoms, molecules and crystals (ionisation potentials, electron affinities, bond energies, heats of phase transitions, band and lattice energies), optical properties (refractive index, polarisability), spectroscopic characteristics and geometrical parameters (bond distances and angles, coordination numbers) of substances in gaseous, liquid and solid states, in glasses and melts, for various thermodynamic conditions. Systems of metallic, covalent, ionic and van der Waals radii, effective atomic charges and other empirical and semi-empirical models are critically revised. Special attention is given to new and growing areas: structural studies of solids under high pressures and van der Waals molecules in gases. The book is addressed to researchers, academics, postgraduates and advanced-course stu...
Knepper, Bryan; Hwang, Soon Muk; DeWitt, Kenneth J.
2004-01-01
Minimum ignition energies of various methanol/air mixtures were measured in a temperature controlled constant volume combustion vessel using a spark ignition method with a spark gap distance of 2 mm. The minimum ignition energies decrease rapidly as the mixture composition (equivalence ratio, Phi) changes from lean to stoichiometric, reach a minimum value, and then increase rather slowly with Phi. The minimum of the minimum ignition energy (MIE) and the corresponding mixture composition were determined to be 0.137 mJ and Phi = 1.16, a slightly rich mixture. The variation of minimum ignition energy with respect to the mixture composition is explained in terms of changes in reaction chemistry.
Prebiotic phosphorus chemistry reconsidered
Schwartz, A. W.; Orgel, L. E. (Principal Investigator)
1997-01-01
The available evidence indicates that the origin of life on Earth certainly occurred earlier than 3.5 billion years ago and perhaps substantially earlier. The time available for the chemical evolution which must have preceded this event is more difficult to estimate. Both endogenic and exogenic contributions to chemical evolution have been considered; i.e., from chemical reactions in a primitive atmosphere, or by introduction in the interiors of comets and/or meteorites. It is argued, however, that the phosphorus chemistry of Earth's earliest hydrosphere, whether primarily exogenic or endogenic in origin, was most likely dominated by compounds less oxidized than phosphoric acid and its esters. A scenario is presented for the early production of a suite of reactive phosphonic acid derivatives, the properties of which may have foreshadowed the later appearance of biophosphates.
Oberbeck, Verne R.; Marshall, John; Shen, Thomas
1991-01-01
The chemical evolution hypothesis of Woese (1979), according to which prebiotic reactions occurred rapidly in droplets in giant atmospheric reflux columns was criticized by Scherer (1985). This paper proposes a mechanism for prebiotic chemistry in clouds that answers Scherer's concerns and supports Woese's hypothesis. According to this mechanism, rapid prebiotic chemical evolution was facilitated on the primordial earth by cycles of condensation and evaporation of cloud drops containing clay condensation nuclei and nonvolatile monomers. For example, amino acids supplied by, or synthesized during entry of meteorites, comets, and interplanetary dust, would have been scavenged by cloud drops containing clay condensation nuclei and would be polymerized within cloud systems during cycles of condensation, freezing, melting, and evaporation of cloud drops.
Rapid automated nuclear chemistry
Meyer, R.A.
1979-05-31
Rapid Automated Nuclear Chemistry (RANC) can be thought of as the Z-separation of Neutron-rich Isotopes by Automated Methods. The range of RANC studies of fission and its products is large. In a sense, the studies can be categorized into various energy ranges from the highest where the fission process and particle emission are considered, to low energies where nuclear dynamics are being explored. This paper presents a table which gives examples of current research using RANC on fission and fission products. The remainder of this text is divided into three parts. The first contains a discussion of the chemical methods available for the fission product elements, the second describes the major techniques, and in the last section, examples of recent results are discussed as illustrations of the use of RANC.
Keeping Current with Chemistry
Moore, John W.
2003-05-01
Chemistry content changes continually. Everyone involved in chemical education should evaluate on a regular schedule the content and emphasis of our courses. Not to do so almost guarantees that we will not be serving the best interests of our students—and ourselves. If we shy away from new material because we are unfamiliar with it, we are poor modelers of the process by which we hope our students will become self-sufficient learners. Moreover, we are unlikely to attract to our discipline those students who already have some knowledge of where in modern science the action really is. Both of these would be costly mistakes. Let’s resolve not to make them.
Advances in analytical chemistry
Arendale, W. F.; Congo, Richard T.; Nielsen, Bruce J.
1991-01-01
Implementation of computer programs based on multivariate statistical algorithms makes possible obtaining reliable information from long data vectors that contain large amounts of extraneous information, for example, noise and/or analytes that we do not wish to control. Three examples are described. Each of these applications requires the use of techniques characteristic of modern analytical chemistry. The first example, using a quantitative or analytical model, describes the determination of the acid dissociation constant for 2,2'-pyridyl thiophene using archived data. The second example describes an investigation to determine the active biocidal species of iodine in aqueous solutions. The third example is taken from a research program directed toward advanced fiber-optic chemical sensors. The second and third examples require heuristic or empirical models.
Chemistry for whom? Gender awareness in teaching and learning chemistry
Andersson, Kristina
2016-11-01
Marie Ståhl and Anita Hussénius have defined what discourses dominate national tests in chemistry for Grade 9 in Sweden by using feminist, critical didactic perspectives. This response seeks to expand the results in Ståhl and Hussénius's article Chemistry inside an epistemological community box!—Discursive exclusions and inclusions in the Swedish national tests in chemistry, by using different facets of gender awareness. The first facet—Gender awareness in relations to the test designers' own conceptions—highlighted how the gender order where women are subordinated men becomes visible in the national tests as a consequence of the test designers internalized conceptions. The second facet—Gender awareness in relation to chemistry—discussed the hierarchy between discourses within chemistry. The third facet—Gender awareness in relation to students—problematized chemistry in relation to the students' identity formation. In summary, I suggest that the different discourses can open up new ways to interpret chemistry and perhaps dismantle the hegemonic chemistry discourse.
Chemistry for whom? Gender awareness in teaching and learning chemistry
Andersson, Kristina
2017-06-01
Marie Ståhl and Anita Hussénius have defined what discourses dominate national tests in chemistry for Grade 9 in Sweden by using feminist, critical didactic perspectives. This response seeks to expand the results in Ståhl and Hussénius's article Chemistry inside an epistemological community box!— Discursive exclusions and inclusions in the Swedish national tests in chemistry, by using different facets of gender awareness. The first facet—Gender awareness in relations to the test designers' own conceptions—highlighted how the gender order where women are subordinated men becomes visible in the national tests as a consequence of the test designers internalized conceptions. The second facet—Gender awareness in relation to chemistry—discussed the hierarchy between discourses within chemistry. The third facet—Gender awareness in relation to students—problematized chemistry in relation to the students' identity formation. In summary, I suggest that the different discourses can open up new ways to interpret chemistry and perhaps dismantle the hegemonic chemistry discourse.
Nanoplasmonics tuned ``click chemistry''
Tijunelyte, I.; Guenin, E.; Lidgi-Guigui, N.; Colas, F.; Ibrahim, J.; Toury, T.; Lamy de La Chapelle, M.
2016-03-01
Nanoplasmonics is a growing field of optical condensed matter science dedicated to optical phenomena at the nanoscale level in metal systems. Extensive research on noble metallic nanoparticles (NPs) has emerged within the last two decades due to their ability to keep the optical energy concentrated in the vicinity of NPs, in particular, the ability to create optical near-field enhancement followed by heat generation. We have exploited these properties in order to induce a localised ``click'' reaction in the vicinity of gold nanostructures under unfavourable experimental conditions. We demonstrate that this reaction can be controlled by the plasmonic properties of the nanostructures and we propose two physical mechanisms to interpret the observed plasmonic tuning of the ``click'' chemistry.Nanoplasmonics is a growing field of optical condensed matter science dedicated to optical phenomena at the nanoscale level in metal systems. Extensive research on noble metallic nanoparticles (NPs) has emerged within the last two decades due to their ability to keep the optical energy concentrated in the vicinity of NPs, in particular, the ability to create optical near-field enhancement followed by heat generation. We have exploited these properties in order to induce a localised ``click'' reaction in the vicinity of gold nanostructures under unfavourable experimental conditions. We demonstrate that this reaction can be controlled by the plasmonic properties of the nanostructures and we propose two physical mechanisms to interpret the observed plasmonic tuning of the ``click'' chemistry. Electronic supplementary information (ESI) available: NMR study on reaction initiation, SERS spectra and temperature calculations. See DOI: 10.1039/c5nr09018k
Methods for Equating Mental Tests.
1984-11-01
1983) compared conventional and IRT methods for equating the Test of English as a Foreign Language ( TOEFL ) after chaining. Three conventional and...three IRT equating methods were examined in this study; two sections of TOEFL were each (separately) equated. The IRT methods included the following: (a...group. A separate base form was established for each of the six equating methods. Instead of equating the base-form TOEFL to itself, the last (eighth
Differential Equations with Linear Algebra
Boelkins, Matthew R; Potter, Merle C
2009-01-01
Linearity plays a critical role in the study of elementary differential equations; linear differential equations, especially systems thereof, demonstrate a fundamental application of linear algebra. In Differential Equations with Linear Algebra, we explore this interplay between linear algebra and differential equations and examine introductory and important ideas in each, usually through the lens of important problems that involve differential equations. Written at a sophomore level, the text is accessible to students who have completed multivariable calculus. With a systems-first approach, t
SPECIFIC SOLUTIONS GROUNDWATER FLOW EQUATION
Syahruddin, Muhammad Hamzah
2014-01-01
Geophysic publication Groundwater flow under surface, its usually slow moving, so that in laminer flow condition can find analisys using the Darcy???s law. The combination between Darcy law and continuity equation can find differential Laplace equation as general equation groundwater flow in sub surface. Based on Differential Laplace Equation is the equation that can be used to describe hydraulic head and velocity flow distribution in porous media as groundwater. In the modeling Laplace e...
Stochastic differential equations and applications
Friedman, Avner
2006-01-01
This text develops the theory of systems of stochastic differential equations, and it presents applications in probability, partial differential equations, and stochastic control problems. Originally published in two volumes, it combines a book of basic theory and selected topics with a book of applications.The first part explores Markov processes and Brownian motion; the stochastic integral and stochastic differential equations; elliptic and parabolic partial differential equations and their relations to stochastic differential equations; the Cameron-Martin-Girsanov theorem; and asymptotic es
DEVELOPMENT OF PHYSICAL CHEMISTRY (SELECTED ARTICLES),
Reviews are presented on the historical background of three areas of physical chemistry : Chemical kinetics (418 references); Thermochemistry (217 references); and Radiation chemistry (271 references).
More Chemistry with Light! More Light in Chemistry!
Bach, Thorsten
2015-09-21
"…︁ Why is chemistry overlooked when talking about light? Is the photon a physical particle per se? Are all important light-induced processes biological? Maybe the role of light for chemistry and the role of chemistry for light may be far less important than a few eccentric scientists would like to believe. From the perspective of a synthetically oriented photochemist, however, the facts are different …︁" Read more in the Editorial by Thorsten Bach. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Dyre, Jeppe
1995-01-01
energies chosen randomly according to a Gaussian. The random-walk model is here derived from Newton's laws by making a number of simplifying assumptions. In the second part of the paper an approximate low-temperature description of energy fluctuations in the random-walk modelthe energy master equation...... (EME)is arrived at. The EME is one dimensional and involves only energy; it is derived by arguing that percolation dominates the relaxational properties of the random-walk model at low temperatures. The approximate EME description of the random-walk model is expected to be valid at low temperatures...... of the random-walk model. The EME allows a calculation of the energy probability distribution at realistic laboratory time scales for an arbitrarily varying temperature as function of time. The EME is probably the only realistic equation available today with this property that is also explicitly consistent...
Classical Diophantine equations
1993-01-01
The author had initiated a revision and translation of "Classical Diophantine Equations" prior to his death. Given the rapid advances in transcendence theory and diophantine approximation over recent years, one might fear that the present work, originally published in Russian in 1982, is mostly superseded. That is not so. A certain amount of updating had been prepared by the author himself before his untimely death. Some further revision was prepared by close colleagues. The first seven chapters provide a detailed, virtually exhaustive, discussion of the theory of lower bounds for linear forms in the logarithms of algebraic numbers and its applications to obtaining upper bounds for solutions to the eponymous classical diophantine equations. The detail may seem stark--- the author fears that the reader may react much as does the tourist on first seeing the centre Pompidou; notwithstanding that, Sprind zuk maintainsa pleasant and chatty approach, full of wise and interesting remarks. His emphases well warrant, ...
Numerical Solution of Heun Equation Via Linear Stochastic Differential Equation
Hamidreza Rezazadeh
2014-05-01
Full Text Available In this paper, we intend to solve special kind of ordinary differential equations which is called Heun equations, by converting to a corresponding stochastic differential equation(S.D.E.. So, we construct a stochastic linear equation system from this equation which its solution is based on computing fundamental matrix of this system and then, this S.D.E. is solved by numerically methods. Moreover, its asymptotic stability and statistical concepts like expectation and variance of solutions are discussed. Finally, the attained solutions of these S.D.E.s compared with exact solution of corresponding differential equations.
Dissipative Boussinesq equations
2007-01-01
40 pages, 15 figures, published in C. R. Mecanique 335 (2007) Other author's papers can be downloaded at http://www.cmla.ens-cachan.fr/~dutykh; International audience; The classical theory of water waves is based on the theory of inviscid flows. However it is important to include viscous effects in some applications. Two models are proposed to add dissipative effects in the context of the Boussinesq equations, which include the effects of weak dispersion and nonlinearity in a shallow water fr...
Differential equations with Mathematica
Abell, Martha L
2004-01-01
The Third Edition of the Differential Equations with Mathematica integrates new applications from a variety of fields,especially biology, physics, and engineering. The new handbook is also completely compatible with recent versions of Mathematica and is a perfect introduction for Mathematica beginners.* Focuses on the most often used features of Mathematica for the beginning Mathematica user* New applications from a variety of fields, including engineering, biology, and physics* All applications were completed using recent versions of Mathematica
Arithmetic partial differential equations
Buium, Alexandru; Simanca, Santiago R.
2006-01-01
We develop an arithmetic analogue of linear partial differential equations in two independent ``space-time'' variables. The spatial derivative is a Fermat quotient operator, while the time derivative is the usual derivation. This allows us to ``flow'' integers or, more generally, points on algebraic groups with coordinates in rings with arithmetic flavor. In particular, we show that elliptic curves have certain canonical ``flows'' on them that are the arithmetic analogues of the heat and wave...
Stability in Neutral Equations
1976-02-04
Martinez-Amores Division of Applied Mathematics Brown University Providence, Rhode Island 02912 and Universidad de Granada, Seccion de Matematicas , Spain S...XG w)1- 0 ~t)- >~~~ 0 suc ht j~<kIp, Ii 2 ~ o ~~~ X~ G (t) , y’ip X= 0 y 20 since equation (3.16) is satisfied. Since F = col(f,0), only the col
Trzetrzelewski, Maciej
2016-11-01
Starting with a Nambu-Goto action, a Dirac-like equation can be constructed by taking the square-root of the momentum constraint. The eigenvalues of the resulting Hamiltonian are real and correspond to masses of the excited string. In particular there are no tachyons. A special case of radial oscillations of a closed string in Minkowski space-time admits exact solutions in terms of wave functions of the harmonic oscillator.
D. Diederen
2015-06-01
Full Text Available We present a new equation describing the hydrodynamics in infinitely long tidal channels (i.e., no reflection under the influence of oceanic forcing. The proposed equation is a simple relationship between partial derivatives of water level and velocity. It is formally derived for a progressive wave in a frictionless, prismatic, tidal channel with a horizontal bed. Assessment of a large number of numerical simulations, where an open boundary condition is posed at a certain distance landward, suggests that it can also be considered accurate in the more natural case of converging estuaries with nonlinear friction and a bed slope. The equation follows from the open boundary condition and is therefore a part of the problem formulation for an infinite tidal channel. This finding provides a practical tool for evaluating tidal wave dynamics, by reconstructing the temporal variation of the velocity based on local observations of the water level, providing a fully local open boundary condition and allowing for local friction calibration.
Quantum molecular master equations
Brechet, Sylvain D.; Reuse, Francois A.; Maschke, Klaus; Ansermet, Jean-Philippe
2016-10-01
We present the quantum master equations for midsize molecules in the presence of an external magnetic field. The Hamiltonian describing the dynamics of a molecule accounts for the molecular deformation and orientation properties, as well as for the electronic properties. In order to establish the master equations governing the relaxation of free-standing molecules, we have to split the molecule into two weakly interacting parts, a bath and a bathed system. The adequate choice of these systems depends on the specific physical system under consideration. Here we consider a first system consisting of the molecular deformation and orientation properties and the electronic spin properties and a second system composed of the remaining electronic spatial properties. If the characteristic time scale associated with the second system is small with respect to that of the first, the second may be considered as a bath for the first. Assuming that both systems are weakly coupled and initially weakly correlated, we obtain the corresponding master equations. They describe notably the relaxation of magnetic properties of midsize molecules, where the change of the statistical properties of the electronic orbitals is expected to be slow with respect to the evolution time scale of the bathed system.
M. Paul Gough
2008-07-01
Full Text Available LandauerÃ¢Â€Â™s principle is applied to information in the universe. Once stars began forming there was a constant information energy density as the increasing proportion of matter at high stellar temperatures exactly compensated for the expanding universe. The information equation of state was close to the dark energy value, w = -1, for a wide range of redshifts, 10 > z > 0.8, over one half of cosmic time. A reasonable universe information bit content of only 1087 bits is sufficient for information energy to account for all dark energy. A time varying equation of state with a direct link between dark energy and matter, and linked to star formation in particular, is clearly relevant to the cosmic coincidence problem. In answering the Ã¢Â€Â˜Why now?Ã¢Â€Â™ question we wonder Ã¢Â€Â˜What next?Ã¢Â€Â™ as we expect the information equation of state to tend towards w = 0 in the future.c
Incorporation of Medicinal Chemistry into the Organic Chemistry Curriculum
Forbes, David C.
2004-01-01
Application of concepts presented in organic chemistry lecture using a virtual project involving the sythesis of medicinally important compounds is emphasized. The importance of reinforcing the concepts from lecture in lab, thus providing a powerful instructional means is discussed.
Alfa Chemistry Released New Application in Medicinal Chemistry.pdf
Mica, Chloe
2016-01-01
Study on lure conditions of food attracts for stored-grain pests could afford theoretics base for exploitation food attracts, but also enhances trap effects of insect pheromone by associated with food attracts and coh chemistry.
Smart Cities Will Need Chemistry
Alexandru WOINAROSCHY
2016-06-01
Full Text Available A smart city is a sustainable and efficient urban centre that provides a high quality of life to its inhabitants through optimal management of its resources. Chemical industry has a key role to play in the sustainable evolution of the smart cities. Additionally, chemistry is at the heart of all modern industries, including electronics, information technology, biotechnology and nano-technology. Chemistry can make the smart cities project more sustainable, more energy efficient and more cost effective. There are six broad critical elements of any smart city: water management systems; infrastructure; transportation; energy; waste management and raw materials consumption. In all these elements chemistry and chemical engineering are deeply involved.
The radiation chemistry of macromolecules
1973-01-01
The Radiation Chemistry of Macromolecules, Volume II is a collection of papers that discusses radiation chemistry of specific systems. Part 1 deals with radiation chemistry of substituted vinyl polymers, particularly polypropylene (PP) as its structure is intermediate between polyethylene and polyisobutylene. This part also discusses polypropylene oxide (PPOx) for it can be prepared in the atactic, isotactic, and optically active forms. One paper focuses on the fundamental chemical processes and the changes in physical properties that give rise to many different applications of polystyrene. An
Catalysis and sustainable (green) chemistry
Centi, Gabriele; Perathoner, Siglinda [Dipartimento di Chimica Industriale ed Ingegneria dei Materiali, University of Messina, Salita Sperone 31, 98166 Messina (Italy)
2003-01-15
Catalysis is a key technology to achieve the objectives of sustainable (green) chemistry. After introducing the concepts of sustainable (green) chemistry and a brief assessment of new sustainable chemical technologies, the relationship between catalysis and sustainable (green) chemistry is discussed and illustrated via an analysis of some selected and relevant examples. Emphasis is also given to the concept of catalytic technologies for scaling-down chemical processes, in order to develop sustainable production processes which reduce the impact on the environment to an acceptable level that allows self-depuration processes of the living environment.
Advances in electron transfer chemistry
Mariano, Patrick S
1993-01-01
Advances in Electron Transfer Chemistry, Volume 3 presents studies that discuss findings in the various aspects of electron chemistry. The book is comprised of four chapters; each chapter reviews a work that tackles an issue in electron transfer chemistry. Chapter 1 discusses the photoinduced electron transfer in flexible biaryl donor-acceptor molecules. Chapter 2 tackles light-induced electron transfer in inorganic systems in homogeneous and heterogeneous phases. The book also covers internal geometry relaxation effects on electron transfer rates of amino-centered systems. The sequential elec
An Evaluation of Chemistry I Textbook by Chemistry Teachers
Abdullah AYDIN
2010-01-01
Textbooks are one of the most consulted sources in the processes of teaching- learning and assessment. It is indispensable to prepare textbooks in accordance with the curriculum to ensure effective teaching and learning. “Teacher evaluation questionnaire” consistingof 20 questions has been prepared to evaluate secondary level IXth class chemistry textbook in terms of its content. This questionnaire was carried out with 31 secondary level chemistry teachers who work in the public schools and 1...
Sarathy, Mani
2014-10-01
Alternative transportation fuels, preferably from renewable sources, include alcohols with up to five or even more carbon atoms. They are considered promising because they can be derived from biological matter via established and new processes. In addition, many of their physical-chemical properties are compatible with the requirements of modern engines, which make them attractive either as replacements for fossil fuels or as fuel additives. Indeed, alcohol fuels have been used since the early years of automobile production, particularly in Brazil, where ethanol has a long history of use as an automobile fuel. Recently, increasing attention has been paid to the use of non-petroleum-based fuels made from biological sources, including alcohols (predominantly ethanol), as important liquid biofuels. Today, the ethanol fuel that is offered in the market is mainly made from sugar cane or corn. Its production as a first-generation biofuel, especially in North America, has been associated with publicly discussed drawbacks, such as reduction in the food supply, need for fertilization, extensive water usage, and other ecological concerns. More environmentally friendly processes are being considered to produce alcohols from inedible plants or plant parts on wasteland. While biofuel production and its use (especially ethanol and biodiesel) in internal combustion engines have been the focus of several recent reviews, a dedicated overview and summary of research on alcohol combustion chemistry is still lacking. Besides ethanol, many linear and branched members of the alcohol family, from methanol to hexanols, have been studied, with a particular emphasis on butanols. These fuels and their combustion properties, including their ignition, flame propagation, and extinction characteristics, their pyrolysis and oxidation reactions, and their potential to produce pollutant emissions have been intensively investigated in dedicated experiments on the laboratory and the engine scale
Reduction operators of Burgers equation.
Pocheketa, Oleksandr A; Popovych, Roman O
2013-02-01
The solution of the problem on reduction operators and nonclassical reductions of the Burgers equation is systematically treated and completed. A new proof of the theorem on the special "no-go" case of regular reduction operators is presented, and the representation of the coefficients of operators in terms of solutions of the initial equation is constructed for this case. All possible nonclassical reductions of the Burgers equation to single ordinary differential equations are exhaustively described. Any Lie reduction of the Burgers equation proves to be equivalent via the Hopf-Cole transformation to a parameterized family of Lie reductions of the linear heat equation.
Bitsadze, A V
1963-01-01
Equations of the Mixed Type compiles a series of lectures on certain fundamental questions in the theory of equations of mixed type. This book investigates the series of problems concerning linear partial differential equations of the second order in two variables, and possessing the property that the type of the equation changes either on the boundary of or inside the considered domain. Topics covered include general remarks on linear partial differential equations of mixed type; study of the solutions of second order hyperbolic equations with initial conditions given along the lines of parab
New application to Riccati equation
Taogetusang; Sirendaoerji; Li, Shu-Min
2010-08-01
To seek new infinite sequence of exact solutions to nonlinear evolution equations, this paper gives the formula of nonlinear superposition of the solutions and Bäcklund transformation of Riccati equation. Based on the tanh-function expansion method and homogenous balance method, new infinite sequence of exact solutions to Zakharov-Kuznetsov equation, Karamoto-Sivashinsky equation and the set of (2+1)-dimensional asymmetric Nizhnik-Novikov-Veselov equations are obtained with the aid of symbolic computation system Mathematica. The method is of significance to construct infinite sequence exact solutions to other nonlinear evolution equations.
Evaluating Equating Results: Percent Relative Error for Chained Kernel Equating
Jiang, Yanlin; von Davier, Alina A.; Chen, Haiwen
2012-01-01
This article presents a method for evaluating equating results. Within the kernel equating framework, the percent relative error (PRE) for chained equipercentile equating was computed under the nonequivalent groups with anchor test (NEAT) design. The method was applied to two data sets to obtain the PRE, which can be used to measure equating…
Auxiliary equation method for solving nonlinear partial differential equations
Sirendaoreji,; Jiong, Sun
2003-03-31
By using the solutions of an auxiliary ordinary differential equation, a direct algebraic method is described to construct several kinds of exact travelling wave solutions for some nonlinear partial differential equations. By this method some physically important nonlinear equations are investigated and new exact travelling wave solutions are explicitly obtained with the aid of symbolic computation.
New Exact Solutions to NLS Equation and Coupled NLS Equations
FU Zun-Tao; LIU Shi-Da; LIU Shi-Kuo
2004-01-01
A transformation is introduced on the basis of the projective Riccati equations, and it is applied as an intermediate in expansion method to solve nonlinear Schrodinger (NLS) equation and coupled NLS equations. Many kinds of envelope travelling wave solutions including envelope solitary wave solution are obtained, in which some are found for the first time.
The compressible adjoint equations in geodynamics: equations and numerical assessment
Ghelichkhan, Siavash; Bunge, Hans-Peter
2016-04-01
The adjoint method is a powerful means to obtain gradient information in a mantle convection model relative to past flow structure. While the adjoint equations in geodynamics have been derived for the conservation equations of mantle flow in their incompressible form, the applicability of this approximation to Earth is limited, because density increases by almost a factor of two from the surface to the Core Mantle Boundary. Here we introduce the compressible adjoint equations for the conservation equations in the anelastic-liquid approximation. Our derivation applies an operator formulation in Hilbert spaces, to connect to recent work in seismology (Fichtner et al (2006)) and geodynamics (Horbach et al (2014)), where the approach was used to derive the adjoint equations for the wave equation and incompressible mantle flow. We present numerical tests of the newly derived equations based on twin experiments, focusing on three simulations. A first, termed Compressible, assumes the compressible forward and adjoint equations, and represents the consistent means of including compressibility effects. A second, termed Mixed, applies the compressible forward equation, but ignores compressibility effects in the adjoint equations, where the incompressible equations are used instead. A third simulation, termed Incompressible, neglects compressibility effects entirely in the forward and adjoint equations relative to the reference twin. The compressible and mixed formulations successfully restore earlier mantle flow structure, while the incompressible formulation yields noticeable artifacts. Our results suggest the use of a compressible formulation, when applying the adjoint method to seismically derived mantle heterogeneity structure.
Elliptic Equation and New Solutions to Nonlinear Wave Equations
FU Zun-Tao; LIU Shi-Kuo; LIU Shi-Da
2004-01-01
The new solutions to elliptic equation are shown, and then the elliptic equation is taken as a transformationand is applied to solve nonlinear wave equations. It is shown that more kinds of solutions are derived, such as periodicsolutions of rational form, solitary wave solutions of rational form, and so on.
Computational Chemistry and Lubrication
Zehe, Michael J.
1998-01-01
Members of NASA Lewis Research Center's Tribology and Surface Science Branch are applying high-level computational chemistry techniques to the development of new lubrication systems for space applications and for future advanced aircraft engines. The next generation of gas turbine engines will require a liquid lubricant to function at temperatures in excess of 350 C in oxidizing environments. Conventional hydrocarbon-based lubricants are incapable of operating in these extreme environments, but a class of compounds known as the perfluoropolyether (PFAE) liquids (see the preceding illustration) shows promise for such applications. These commercially available products are already being used as lubricants in conditions where low vapor pressure and chemical stability are crucial, such as in satellite bearings and composite disk platters. At higher temperatures, however, these compounds undergo a decomposition process that is assisted (catalyzed) by metal and metal oxide bearing surfaces. This decomposition process severely limits the applicability of PFAE's at higher temperatures. A great deal of laboratory experimentation has revealed that the extent of fluid degradation depends on the chemical properties of the bearing surface materials. Lubrication engineers would like to understand the chemical breakdown mechanism to design a less vulnerable PFAE or to develop a chemical additive to block this degradation.
Bradlyn, Barry; Elcoro, L.; Cano, Jennifer; Vergniory, M. G.; Wang, Zhijun; Felser, C.; Aroyo, M. I.; Bernevig, B. Andrei
2017-07-01
Since the discovery of topological insulators and semimetals, there has been much research into predicting and experimentally discovering distinct classes of these materials, in which the topology of electronic states leads to robust surface states and electromagnetic responses. This apparent success, however, masks a fundamental shortcoming: topological insulators represent only a few hundred of the 200,000 stoichiometric compounds in material databases. However, it is unclear whether this low number is indicative of the esoteric nature of topological insulators or of a fundamental problem with the current approaches to finding them. Here we propose a complete electronic band theory, which builds on the conventional band theory of electrons, highlighting the link between the topology and local chemical bonding. This theory of topological quantum chemistry provides a description of the universal (across materials), global properties of all possible band structures and (weakly correlated) materials, consisting of a graph-theoretic description of momentum (reciprocal) space and a complementary group-theoretic description in real space. For all 230 crystal symmetry groups, we classify the possible band structures that arise from local atomic orbitals, and show which are topologically non-trivial. Our electronic band theory sheds new light on known topological insulators, and can be used to predict many more.
Structural transition metal chemistry
Anderson, K M
2002-01-01
This thesis is divided up into five chapters as outlined below. Chapter 1 gives the background to the techniques used in this thesis including X-ray structure determination and ab initio methods. An overview of some recent studies using ab initio methods to study transition metal complexes is also given. Chapter 2 investigates structural trans influence in a number of transition metal and p-block complexes. The database and ab initio studies showed that the classical trans influence model based on Pt(II) chemistry does not always hold. For some systems (eg. d sup 1 sup 0 s sup 0 for Sb sup V and Sn sup I sup V) the cis influence is of similar magnitude to the trans influence. For other systems (d sup 0), the trans influence is not as powerful as usually assumed. Chapter 3 is an investigation into the bridging chloride unit. A database study was performed on three systems (M-CI-M', M-CI...H and M-CI...Li/Na/K). Reaction pathway analysis was carried out for the M-CI-M' case and showed that bond order is not con...
Nuclear chemistry progress report
Viola, V.E.; Kwiatkowski, K.
1993-08-01
This is the annual progress report for the Indiana University nuclear chemistry program for the 1992/1993 year. Accomplishments include the construction, testing, and initial experimental runs of the Indiana Silicon Sphere (ISiS) 4{pi} charged particle detector. ISiS is designed to study energy dissipation and multifragmentation phenomena in light-ion-induced nuclear reactions at medium-to-high energies. Its second test run was to examine 3.6 GeV {sup 3}He beam reactions at Laboratoire National Saturne (LNS) in Saclay. The development and deployment of this system has occupied a great deal of the groups effort this reporting period. Additional work includes: calculations of isotopic IMF yields in the {sup 4}He + {sup 116,124}Sn reaction; cross sections for A = 6 - 30 fragments from the {sup 4}He + {sup 28}Si reaction at 117 and 198 MeV; charging effects of passivated silicon detectors; neck emission of intermediate-mass fragments in the fission of hot heavy nuclei.
Atmospheric and aerosol chemistry
McNeill, V. Faye [Columbia Univ., New York, NY (United States). Dept. of Chemical Engineering; Ariya, Parisa A. (ed.) [McGill Univ. Montreal, QC (Canada). Dept. of Chemistry; McGill Univ. Montreal, QC (Canada). Dept. of Atmospheric and Oceanic Sciences
2014-09-01
This series presents critical reviews of the present position and future trends in modern chemical research. Short and concise reports on chemistry, each written by the world renowned experts. Still valid and useful after 5 or 10 years. More information as well as the electronic version of the whole content available at: springerlink.com. Christian George, Barbara D'Anna, Hartmut Herrmann, Christian Weller, Veronica Vaida, D. J. Donaldson, Thorsten Bartels-Rausch, Markus Ammann Emerging Areas in Atmospheric Photochemistry. Lisa Whalley, Daniel Stone, Dwayne Heard New Insights into the Tropospheric Oxidation of Isoprene: Combining Field Measurements, Laboratory Studies, Chemical Modelling and Quantum Theory. Neil M. Donahue, Allen L. Robinson, Erica R. Trump, Ilona Riipinen, Jesse H. Kroll Volatility and Aging of Atmospheric Organic Aerosol. P. A. Ariya, G. Kos, R. Mortazavi, E. D. Hudson, V. Kanthasamy, N. Eltouny, J. Sun, C. Wilde Bio-Organic Materials in the Atmosphere and Snow: Measurement and Characterization V. Faye McNeill, Neha Sareen, Allison N. Schwier Surface-Active Organics in Atmospheric Aerosols.
Gheorghe DUCA
2016-12-01
Full Text Available Ten years ago, in 2006, CHEMISTRY JOURNAL OF MOLDOVA. General, Industrial and Ecological Chemistry was founded by the Institute of Chemistry of Academy of Sciences of Moldova and Moldova State University. Chemistry Journal of Moldova is an open access, international indexed and peer-reviewed journal that publishes papers of high quality containing original results in the areas of Chemical Sciences, such as analytical chemistry, ecological chemistry, food chemistry, industrial chemistry, inorganic and coordination chemistry, natural product chemistry and synthesis, organic chemistry, physical chemistry and chemical physics, as well as supramolecular chemistry. Chemistry Journal of Moldova seeks to publish experimental or theoretical research results of outstanding signifi cance and timeliness.
Blumenthal, Adrian
2015-01-01
Stochastic models that account for sudden, unforeseeable events play a crucial role in many different fields such as finance, economics, biology, chemistry, physics and so on. That kind of stochastic problems can be modeled by stochastic differential equations driven by jump-diffusion processes. In addition, there are situations, where a stochastic model is based on stochastic differential equations with multiple scales. Such stochastic problems are called stiff and lead for classical ex...
One century of aryne chemistry.
Wenk, Hans Henning; Winkler, Michael; Sander, Wolfram
2003-02-03
Arynes, which are formally derived from aromatic rings by abstraction of two hydrogen atoms, have been a focus of organic chemistry for 100 years. In contrast to ortho-benzyne, which is mentioned in almost every introductory textbook on organic reaction mechanisms as a reactive intermediate of nucleophilic aromatic substitution, the meta and para isomers were regarded as rather exotic until recently. This situation has changed dramatically with the discovery of the enediyne antibiotics, a promising new class of antitumor drugs, and has aroused the interest of research groups from all branches of chemistry. Nowadays, arynes and related compounds are among the most intensively studied systems in chemistry. However, many aspects of the chemistry of these reactive intermediates are not well understood yet. In this review we outline the historical developement with an emphasis on recent progress in this challenging field of research.
Plants and Medicinal Chemistry--2
Bailey, D.
1977-01-01
Second of a two part article on the influence of plants on medicinal chemistry. This part considers how drugs work, the attempts to develop anaesthetics safer than cocaine, and useful poisons. (Author/SL)
QDB: Validated Plasma Chemistries Database
Rahimi, Sara; Hamilton, James; Hill, Christian; Tennyson, Jonathan; UCL Team
2016-09-01
One of most challenging recurring problems when modelling plasmas is the lack of data. This lack of complete and validated datasets hinders research on plasma processes and curbs development of industrial Applications. We will describe the QDB project which aims to fill this missing link by provide a platform for exchange and validation of chemistry datasets. The database will collate published data on both electron scattering and heavy particle reactions and also facilitates and encourages peer-to-peer data sharing by its users. This data platform is rigorously supported by the validation methodical validation of the datasetsan automated chemistry generator employed; this methodology identifies missing reactions in chemistries which although important are currently unreported in the literature and employs mathematical methods to analyze the importance of these chemistries. Gaps in the datasets are filled using in house theoretical methods.
International Year of Chemistry 2011
XUE Zi-Ling
2011-01-01
Science China Chemistry would like to dedicate this special issue to the International Year of Chemistry (IYC) 2011,as part of the celebrations of IYC in China.Scientists from Australia,Brazil,Britain,Canada,Chile,China,France,Germany,India,Israel,Japan,Nepal,Pakistan,Saudi Arabia,Singapore,South Africa,and the USA have contributed 28 papers marking the event.Our authors from across the globe include students,members (a corresponding member) and fellows of national academies of sciences in several countries (Australia,Chile,China,France,India,Israel,Pakistan,and the USA),fellows of the British and Canadian Royal Societies,and two Nobel Laureates (Robert Grubbs and Ada Yonath).Here they present their work contributing to the IYC 2011 theme "Chemistry-our life,our future" [1].These papers cover fundamental chemistry,the chemical bases of life processes,and their potential applications.
Fragrance Chemistry Milestones and Perspectives
Gautschi, Markus; Bajgrowicz, Jerzy A; Kraft, Philip
2001-01-01
This mini-review on Fragrance Chemistry focuses on milestones in the timelines of musk, ionone/ woody and sandalwood odorants, as well as on new perspectives arising from the development of fragrance precursors...
Promoting sustainability through green chemistry
Kirchhoff, Mary M. [American Chemical Society, 1155 Sixteenth Street, NW, Washington, DC 20036 (United States)
2005-06-15
Green chemistry is an important tool in achieving sustainability. The implementation of green chemistry, the design of chemical products and processes that reduce or eliminate the use and generation of hazardous substances, is essential if the expanding global population is to enjoy an increased standard of living without having a negative impact on the health of the planet. Cleaner technologies will allow the chemical enterprise to provide society with the goods and services on which it depends in an environmentally responsible manner. Green chemistry provides solutions to such global challenges as climate change, sustainable agriculture, energy, toxics in the environment, and the depletion of natural resources. A collaborative effort by industry, academia, and government is needed to promote the adoption of the green chemistry technologies necessary to achieve a sustainable society.
NWCA 2011 Soil Chemistry - Data
U.S. Environmental Protection Agency — NWCA 2011 Soil Chemistry Data. This dataset is associated with the following publication: Nahlik, A., and M.S. Fennessy. Carbon storage in US wetlands. Nature...
The Teaching of Analytical Chemistry in Europe.
Pungor, Erno; Kellner, Robert
1988-01-01
Traces the development of analytical chemistry in Europe. Asserts that analytical chemistry should not be intertwined with other branches of chemistry. Argues that analytical chemistry education should aim to create graduates who have adequate knowledge and are aware of their responsibility to society and to nature. (TW)
The Place of Macromolecules in Freshman Chemistry
Wunderlich, Bernhard
1973-01-01
Discusses the inclusion of knowledge on macromolecules into a freshman chemistry course which emphasizes topics in organic chemistry, polymer science and biochemistry, atoms, chemical thermodynamics, and inorganic chemistry. Indicates that the program is the only way to keep chemistry education up to date. (CC)
Effective Chemistry Communication in Informal Environments
National Academies Press, 2016
2016-01-01
Chemistry plays a critical role in daily life, impacting areas such as medicine and health, consumer products, energy production, the ecosystem, and many other areas. Communicating about chemistry in informal environments has the potential to raise public interest and understanding of chemistry around the world. However, the chemistry community…
Cooperative Education: Industrial Chemistry in the Classroom.
Paige, Harvey L.
1982-01-01
Discusses reasons for including industrial chemistry into the college chemistry curriculum. One reason is that chemistry students, and students generally, should appreciate the role of the chemical industry in our history, economy, and culture. Problems associated with teaching industrial chemistry are addressed and a British university/industry…
Bárbara Vasconcellos da Silva; Renato Saldanha Bastos; Angelo da Cunha Pinto
2009-01-01
In this article we present the Brazilian publications, the research groups involved, the contributions per states and the main diseases studied from 1998 to 2008 in the following periodicals: Journal of Medicinal Chemistry, Bioorganic and Medicinal Chemistry, Bioorganic and Medicinal Chemistry Letters and European Journal of Medicinal Chemistry.
Arrington, Caleb A.; Hill, Jameica B.; Radfar, Ramin; Whisnant, David M.; Bass, Charles G.
2008-01-01
This article describes a discovery experiment for general chemistry and organic chemistry labs. Although the pinacol rearrangement has been employed in undergraduate organic laboratories before, in this application organic chemistry students act as mentors to students of general chemistry. Students work together using distillation--a new technique…
42 CFR 493.839 - Condition: Chemistry.
2010-10-01
... 42 Public Health 5 2010-10-01 2010-10-01 false Condition: Chemistry. 493.839 Section 493.839... These Tests § 493.839 Condition: Chemistry. The specialty of chemistry includes for the purposes of proficiency testing the subspecialties of routine chemistry, endocrinology, and toxicology. ...
Arrington, Caleb A.; Hill, Jameica B.; Radfar, Ramin; Whisnant, David M.; Bass, Charles G.
2008-01-01
This article describes a discovery experiment for general chemistry and organic chemistry labs. Although the pinacol rearrangement has been employed in undergraduate organic laboratories before, in this application organic chemistry students act as mentors to students of general chemistry. Students work together using distillation--a new technique…
Effective Chemistry Communication in Informal Environments
National Academies Press, 2016
2016-01-01
Chemistry plays a critical role in daily life, impacting areas such as medicine and health, consumer products, energy production, the ecosystem, and many other areas. Communicating about chemistry in informal environments has the potential to raise public interest and understanding of chemistry around the world. However, the chemistry community…
Who is Teaching the History of Chemistry?
Everett, Kenneth G.; DeLoach, Will S.
1987-01-01
Reports on a study into how the history of chemistry is being taught in colleges and universities. Results indicate that courses on the history of chemistry are hardly ever required of chemistry majors, and they are offered in only 10 percent of American Chemical Society approved chemistry departments. (TW)
Partial differential equations
Sloan, D; Süli, E
2001-01-01
/homepage/sac/cam/na2000/index.html7-Volume Set now available at special set price ! Over the second half of the 20th century the subject area loosely referred to as numerical analysis of partial differential equations (PDEs) has undergone unprecedented development. At its practical end, the vigorous growth and steady diversification of the field were stimulated by the demand for accurate and reliable tools for computational modelling in physical sciences and engineering, and by the rapid development of computer hardware and architecture. At the more theoretical end, the analytical insight in
Hyperbolic partial differential equations
Lax, Peter D
2006-01-01
The theory of hyperbolic equations is a large subject, and its applications are many: fluid dynamics and aerodynamics, the theory of elasticity, optics, electromagnetic waves, direct and inverse scattering, and the general theory of relativity. This book is an introduction to most facets of the theory and is an ideal text for a second-year graduate course on the subject. The first part deals with the basic theory: the relation of hyperbolicity to the finite propagation of signals, the concept and role of characteristic surfaces and rays, energy, and energy inequalities. The structure of soluti
Partial differential equations
Levine, Harold
1997-01-01
The subject matter, partial differential equations (PDEs), has a long history (dating from the 18th century) and an active contemporary phase. An early phase (with a separate focus on taut string vibrations and heat flow through solid bodies) stimulated developments of great importance for mathematical analysis, such as a wider concept of functions and integration and the existence of trigonometric or Fourier series representations. The direct relevance of PDEs to all manner of mathematical, physical and technical problems continues. This book presents a reasonably broad introductory account of the subject, with due regard for analytical detail, applications and historical matters.
Ordinary differential equations
Cox, William
1995-01-01
Building on introductory calculus courses, this text provides a sound foundation in the underlying principles of ordinary differential equations. Important concepts, including uniqueness and existence theorems, are worked through in detail and the student is encouraged to develop much of the routine material themselves, thus helping to ensure a solid understanding of the fundamentals required.The wide use of exercises, problems and self-assessment questions helps to promote a deeper understanding of the material and it is developed in such a way that it lays the groundwork for further
Savvidy, G K
1998-01-01
We discuss the basic properties of the gonihedric string and the problem of its formulation in continuum. We propose a generalization of the Dirac equation and of the corresponding gamma matrices in order to describe the gonihedric string. The wave function and the Dirac matrices are infinite-dimensional. The spectrum of the theory consists of particles and antiparticles of increasing half-integer spin lying on quasilinear trajectories of different slope. Explicit formulas for the mass spectrum allow to compute the string tension and thus demonstrate the string character of the theory.
Generalized estimating equations
Hardin, James W
2013-01-01
Generalized Estimating Equations, Second Edition updates the best-selling previous edition, which has been the standard text on the subject since it was published a decade ago. Combining theory and application, the text provides readers with a comprehensive discussion of GEE and related models. Numerous examples are employed throughout the text, along with the software code used to create, run, and evaluate the models being examined. Stata is used as the primary software for running and displaying modeling output; associated R code is also given to allow R users to replicat
The Arrhenius equation revisited.
Peleg, Micha; Normand, Mark D; Corradini, Maria G
2012-01-01
The Arrhenius equation has been widely used as a model of the temperature effect on the rate of chemical reactions and biological processes in foods. Since the model requires that the rate increase monotonically with temperature, its applicability to enzymatic reactions and microbial growth, which have optimal temperature, is obviously limited. This is also true for microbial inactivation and chemical reactions that only start at an elevated temperature, and for complex processes and reactions that do not follow fixed order kinetics, that is, where the isothermal rate constant, however defined, is a function of both temperature and time. The linearity of the Arrhenius plot, that is, Ln[k(T)] vs. 1/T where T is in °K has been traditionally considered evidence of the model's validity. Consequently, the slope of the plot has been used to calculate the reaction or processes' "energy of activation," usually without independent verification. Many experimental and simulated rate constant vs. temperature relationships that yield linear Arrhenius plots can also be described by the simpler exponential model Ln[k(T)/k(T(reference))] = c(T-T(reference)). The use of the exponential model or similar empirical alternative would eliminate the confusing temperature axis inversion, the unnecessary compression of the temperature scale, and the need for kinetic assumptions that are hard to affirm in food systems. It would also eliminate the reference to the Universal gas constant in systems where a "mole" cannot be clearly identified. Unless proven otherwise by independent experiments, one cannot dismiss the notion that the apparent linearity of the Arrhenius plot in many food systems is due to a mathematical property of the model's equation rather than to the existence of a temperature independent "energy of activation." If T+273.16°C in the Arrhenius model's equation is replaced by T+b, where the numerical value of the arbitrary constant b is substantially larger than T and T
Differential Equations as Actions
Ronkko, Mauno; Ravn, Anders P.
1997-01-01
We extend a conventional action system with a primitive action consisting of a differential equation and an evolution invariant. The semantics is given by a predicate transformer. The weakest liberal precondition is chosen, because it is not always desirable that steps corresponding to differential...... actions shall terminate. It is shown that the proposed differential action has a semantics which corresponds to a discrete approximation when the discrete step size goes to zero. The extension gives action systems the power to model real-time clocks and continuous evolutions within hybrid systems....
Sulfur Chemistry in Combustion I
Johnsson, Jan Erik; Glarborg, Peter
2000-01-01
of the sulphur compounds in fossil fuels and the possibilities to remove them will be given. Then the combustion of sulphur species and their influence on the combustion chemistry and especially on the CO oxidation and the NOx formation will be described. Finally the in-situ removal of sulphur in the combustion...... process by reaction between SO2 and calcium containing sorbents and the influence on the NOx chemistry will be treated....
Nonthermal plasma chemistry and physics
Meichsner, Jurgen; Schneider, Ralf; Wagner, Hans-Erich
2013-01-01
In addition to introducing the basics of plasma physics, Nonthermal Plasma Chemistry and Physics is a comprehensive presentation of recent developments in the rapidly growing field of nonthermal plasma chemistry. The book offers a detailed discussion of the fundamentals of plasma chemical reactions and modeling, nonthermal plasma sources, relevant diagnostic techniques, and selected applications.Elucidating interconnections and trends, the book focuses on basic principles and illustrations across a broad field of applications. Expert contributors address environmental aspects of plasma chemist
[Pharmaceutical chemistry of general anaesthetics].
Szász, György; Takácsné, Novák Krisztina
2004-01-01
The paper represents the first part of a planned series of reviews about pharmaceutical chemistry of drugs acting on the central nervous system. The authorial aim and editorial concepts are the same were followed in a former series of papers about pharmaceutical chemistry of agents effecting the heart, blood circulation and vegetative nervous system. Consequently, general anaesthetics are discussed in the present paper through the chapters "history, preparation; structure-properties-activity; application; analysis".
Conservational PDF Equations of Turbulence
Shih, Tsan-Hsing; Liu, Nan-Suey
2010-01-01
Recently we have revisited the traditional probability density function (PDF) equations for the velocity and species in turbulent incompressible flows. They are all unclosed due to the appearance of various conditional means which are modeled empirically. However, we have observed that it is possible to establish a closed velocity PDF equation and a closed joint velocity and species PDF equation through conditions derived from the integral form of the Navier-Stokes equations. Although, in theory, the resulted PDF equations are neither general nor unique, they nevertheless lead to the exact transport equations for the first moment as well as all higher order moments. We refer these PDF equations as the conservational PDF equations. This observation is worth further exploration for its validity and CFD application
Program Transformation by Solving Equations
朱鸿
1991-01-01
Based on the theory of orthogonal program expansion[8-10],the paper proposes a method to transform programs by solving program equations.By the method,transformation goals are expressed in program equations,and achieved by solving these equations.Although such equations are usually too complicated to be solved directly,the orthogonal expansion of programs makes it possible to reduce such equations into systems of equations only containing simple constructors of programs.Then,the solutions of such equations can be derived by a system of solving and simplifying rules,and algebraic laws of programs.The paper discusses the methods to simplify and solve equations and gives some examples.
Decoupling the Arrhenius equation via mechanochemistry.
Andersen, Joel M; Mack, James
2017-08-01
Mechanochemistry continues to reveal new possibilities in chemistry including the opportunity for "greening" reactions. Nevertheless, a clear understanding of the energetic transformations within mechanochemical systems remains elusive. We employed a uniquely modified ball mill and strategically chosen Diels-Alder reactions to evaluate the role of several ball-milling variables. This revealed three different energetic regions that we believe are defining characteristics of most, if not all, mechanochemical reactors. Relative to the locations of a given ball mill's regions, activation energy determines whether a reaction is energetically easy (Region I), challenging (Region II), or unreasonable (Region III) in a given timeframe. It is in Region II, that great sensitivity to mechanochemical conditions such as vial material and oscillation frequency emerge. Our unique modifications granted control of reaction vessel temperature, which in turn allowed control of the locations of Regions I, II, and III for our mill. Taken together, these results suggest envisioning vibratory mills (and likely other mechanochemical methodologies) as molecular-collision facilitating devices that act upon molecules occupying a thermally-derived energy distribution. This unifies ball-milling energetics with solution-reaction energetics via a common tie to the Arrhenius equation, but gives mechanochemistry the unique opportunity to influence either half of the equation. In light of this, we discuss a strategy for translating solvent-based reaction conditions to ball milling conditions. Lastly, we posit that the extra control via frequency factor grants mechanochemistry the potential for greater selectivity than conventional solution reactions.
Physical chemistry and the environment
Dunning, T.H. Jr.; Garrett, B.C.; Kolb, C.E. Jr.; Shaw, R.W.; Choppin, G.R.; Wagner, A.F.
1994-08-01
From the ozone hole and the greenhouse effect to plastics recycling and hazardous waste disposal, society faces a number of issues, the solutions to which require an unprecedented understanding of the properties of molecules. We are coming to realize that the environment is a coupled set of chemical systems, its dynamics determining the welfare of the biosphere and of humans in particular. These chemical systems are governed by fundamental molecular interactions, and they present chemists with an unparalleled challenge. The application of current concepts of molecular behavior and of up-to-date experimental and computational techniques can provide us with insights into the environment that are needed to mitigate past damage, to anticipate the impact of current human activity, and to avoid future insults to the environment. Environmental chemistry encompasses a number of separate, yet interlocking, areas of research. In all of these areas progress is limited by an inadequate understanding of the underlying chemical processes involved. Participation of all chemical approaches -- experimental, theoretical and computational -- and of all disciplines of chemistry -- organic, inorganic, physical, analytical and biochemistry -- will be required to provide the necessary fundamental understanding. The Symposium on ``Physical Chemistry and the Environment`` was designed to bring the many exciting and challenging physical chemistry problems involved in environmental chemistry to the attention of a larger segment of the physical chemistry community.
``Riemann equations'' in bidifferential calculus
Chvartatskyi, O.; Müller-Hoissen, F.; Stoilov, N.
2015-10-01
We consider equations that formally resemble a matrix Riemann (or Hopf) equation in the framework of bidifferential calculus. With different choices of a first-order bidifferential calculus, we obtain a variety of equations, including a semi-discrete and a fully discrete version of the matrix Riemann equation. A corresponding universal solution-generating method then either yields a (continuous or discrete) Cole-Hopf transformation, or leaves us with the problem of solving Riemann equations (hence an application of the hodograph method). If the bidifferential calculus extends to second order, solutions of a system of "Riemann equations" are also solutions of an equation that arises, on the universal level of bidifferential calculus, as an integrability condition. Depending on the choice of bidifferential calculus, the latter can represent a number of prominent integrable equations, like self-dual Yang-Mills, as well as matrix versions of the two-dimensional Toda lattice, Hirota's bilinear difference equation, (2+1)-dimensional Nonlinear Schrödinger (NLS), Kadomtsev-Petviashvili (KP) equation, and Davey-Stewartson equations. For all of them, a recent (non-isospectral) binary Darboux transformation result in bidifferential calculus applies, which can be specialized to generate solutions of the associated "Riemann equations." For the latter, we clarify the relation between these specialized binary Darboux transformations and the aforementioned solution-generating method. From (arbitrary size) matrix versions of the "Riemann equations" associated with an integrable equation, possessing a bidifferential calculus formulation, multi-soliton-type solutions of the latter can be generated. This includes "breaking" multi-soliton-type solutions of the self-dual Yang-Mills and the (2+1)-dimensional NLS equation, which are parametrized by solutions of Riemann equations.
Equation with the many fathers
Kragh, Helge
1984-01-01
In this essay I discuss the origin and early development of the first relativistic wave equation, known as the Klein-Gordon equation. In 1926 several physicists, among them Klein, Fock, Schrödinger, and de Broglie, announced this equation as a candidate for a relativistic generalization of the us...
An Extented Wave Action Equation
左其华
2003-01-01
Based on the Navier-Stokes equation, an average wave energy equation and a generalized wave action conservation equation are presented in this paper. The turbulence effects on water particle velocity ui and wave surface elavation ξ as well as energy dissipation are included. Some simplified forms are also given.
Successfully Transitioning to Linear Equations
Colton, Connie; Smith, Wendy M.
2014-01-01
The Common Core State Standards for Mathematics (CCSSI 2010) asks students in as early as fourth grade to solve word problems using equations with variables. Equations studied at this level generate a single solution, such as the equation x + 10 = 25. For students in fifth grade, the Common Core standard for algebraic thinking expects them to…
Successfully Transitioning to Linear Equations
Colton, Connie; Smith, Wendy M.
2014-01-01
The Common Core State Standards for Mathematics (CCSSI 2010) asks students in as early as fourth grade to solve word problems using equations with variables. Equations studied at this level generate a single solution, such as the equation x + 10 = 25. For students in fifth grade, the Common Core standard for algebraic thinking expects them to…
Prolongation structures for supersymmetric equations
Roelofs, G.H.M.; Hijligenberg, van den N.W.
1990-01-01
The well known prolongation technique of Wahlquist and Estabrook (1975) for nonlinear evolution equations is generalized for supersymmetric equations and applied to the supersymmetric extension of the KdV equation of Manin-Radul. Using the theory of Kac-Moody Lie superalgebras, the explicit form of
Solution of Finite Element Equations
Krenk, Steen
An important step in solving any problem by the finite element method is the solution of the global equations. Numerical solution of linear equations is a subject covered in most courses in numerical analysis. However, the equations encountered in most finite element applications have some special...
Analytical Chemistry as an Information Science.
1981-06-01
AD-AIOS 433 WASHINGTON UNIV SEATTLE LAB OR CHEMOMETRICS /7/ ANALYTICAL CHEMISTRY AS AN INFORMATION SCIENCE Ul NAb7/ .JUN 81 B A KO WALSKI NUUUIA 75C...AN INFORMATION SCIENCE by B. R. Kowalski Prepared for Publication in Trends in Analytical Chemistry University of Washington Department of Chemistry...S. TYPE OF REPORT & PERIOD COVERED Technical Report - Interim ANALYTICAL CHEMISTRY AS AN INFORMATION SCIENCE , 2/1981 - 6/1981 6. PERFORMING ORG
Alain Cornet
2012-03-01
Full Text Available Direct sunlight absorption by trace gases can be used to quantify them and investigate atmospheric chemistry. In such experiments, the main optical apparatus is often a grating or a Fourier transform spectrometer. A solar tracker based on motorized rotating mirrors is commonly used to direct the light along the spectrometer axis, correcting for the apparent rotation of the Sun. Calculating the Sun azimuth and altitude for a given time and location can be achieved with high accuracy but different sources of angular offsets appear in practice when positioning the mirrors. A feedback on the motors, using a light position sensor close to the spectrometer, is almost always needed. This paper aims to gather the main geometrical formulas necessary for the use of a widely used kind of solar tracker, based on two 45° mirrors in altazimuthal set-up with a light sensor on the spectrometer, and to illustrate them with a tracker developed by our group for atmospheric research.
Gövert, S.; Mira, D.; Kok, J.B.W.; Vázquez, M.; Houzeaux, G.
2015-01-01
The present work addresses the coupling of a flamelet database, to a low-Mach approximation of the Navier–Stokes equations using scalar controlling variables. The model is characterized by the chemistry tabulation based on laminar premixed flamelets in combination with an optimal choice of the react
Exploring Chemical Equilibrium with Poker Chips: A General Chemistry Laboratory Exercise
Bindel, Thomas H.
2012-01-01
A hands-on laboratory exercise at the general chemistry level introduces students to chemical equilibrium through a simulation that uses poker chips and rate equations. More specifically, the exercise allows students to explore reaction tables, dynamic chemical equilibrium, equilibrium constant expressions, and the equilibrium constant based on…
Benchmarking stiff ODE solvers for atmorspheric chemistry problems I: implicit versus explicit
A. Sandu; J.G. Verwer (Jan); M. van Loon; G.R. Carmichael; F.A. Potra; D. Dabdub; J.H. Seinfeld
1996-01-01
textabstract[NM-R 9603] In many applications of atmospheric transport-chemistry problems, a major task is the numerical integration of the stiff systems of ordinary differential equations describing the chemical transformations. This paper presents a comprehensive numerical comparison between five
The Gaseous State. Independent Learning Project for Advanced Chemistry (ILPAC). Unit P1.
Inner London Education Authority (England).
This unit on the gaseous state is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit consists of two levels. Level one deals with the distinctive characteristics of gases, then considers the gas laws, in particular the ideal gas equation and its applications. Level two concentrates on…
Some Aspects of Rubberlike Elasticity Useful in Teaching Basic Concepts in Physical Chemistry.
Mark, J. E.
2002-01-01
Explains the benefits of including polymer topics in both graduate and undergraduate physical chemistry courses. Provides examples of how to use rubberlike elasticity to demonstrate some of the general and thermodynamic concepts including equations of state, Carnot cycles and mechanochemistry, gel collapse, energy storage and hysteresis, and…
Stefani, Christina; Tsaparlis, Georgios
2009-01-01
We investigated students' knowledge constructions of basic quantum chemistry concepts, namely atomic orbitals, the Schrodinger equation, molecular orbitals, hybridization, and chemical bonding. Ausubel's theory of meaningful learning provided the theoretical framework and phenomenography the method of analysis. The semi-structured interview with…
Matsumoto, Paul S.
2014-01-01
The article describes the use of Mathematica, a computer algebra system (CAS), in a high school chemistry course. Mathematica was used to generate a graph, where a slider controls the value of parameter(s) in the equation; thus, students can visualize the effect of the parameter(s) on the behavior of the system. Also, Mathematica can show the…
Exploring Chemical Equilibrium with Poker Chips: A General Chemistry Laboratory Exercise
Bindel, Thomas H.
2012-01-01
A hands-on laboratory exercise at the general chemistry level introduces students to chemical equilibrium through a simulation that uses poker chips and rate equations. More specifically, the exercise allows students to explore reaction tables, dynamic chemical equilibrium, equilibrium constant expressions, and the equilibrium constant based on…
Kelly, Resa M.; Barrera, Juliet H.; Mohamed, Saheed C.
2010-01-01
This study examined how 21 college-level general chemistry students, who had received instruction that emphasized the symbolic level of ionic equations, explained their submicroscopic-level understanding of precipitation reactions. Students' explanations expressed through drawings and semistructured interviews revealed the nature of the…
Solitary Wave Solutions of KP equation, Cylindrical KP Equation and Spherical KP Equation
Li, Xiang-Zheng; Zhang, Jin-Liang; Wang, Ming-Liang
2017-02-01
Three (2+1)-dimensional equations-KP equation, cylindrical KP equation and spherical KP equation, have been reduced to the same KdV equation by different transformation of variables respectively. Since the single solitary wave solution and 2-solitary wave solution of the KdV equation have been known already, substituting the solutions of the KdV equation into the corresponding transformation of variables respectively, the single and 2-solitary wave solutions of the three (2+1)-dimensional equations can be obtained successfully. Supported by the National Natural Science Foundation of China under Grant No. 11301153 and the Doctoral Foundation of Henan University of Science and Technology under Grant No. 09001562, and the Science and Technology Innovation Platform of Henan University of Science and Technology under Grant No. 2015XPT001
Publicising chemistry in a multicultural society through chemistry outreach
Joyce D. Sewry
2011-11-01
Full Text Available Given the emphasis in Higher Education on community engagement in South Africa and the importance of international collaboration, we discuss a joint approach to chemistry outreach in two countries on two continents with widely differing target school audiences. We describe the history of the partnership between the chemistry departments at Rhodes University and the University of Bristol and provide an outline of the chemistry content of their outreach initiatives, the modes of delivery, the advantages to both departments and their students for involvement in various levels of outreach, the challenges they still face and additional opportunities that such work facilitated. The lecture demonstration ‘A Pollutant’s Tale’ was presented to thousands of learners all over the world, including learners at resource-deprived schools in South Africa. Challenges to extend outreach activities in South Africa include long travelling distances, as well as a lack of facilities (such as school halls and electricity at schools. Outreach activities not only impacted on the target audience of young learners, they also impacted upon the postgraduate and other chemistry students taking part in these initiatives. This collaboration strengthened both institutions and their outreach work and may also lead to chemistry research collaborations between the academics involved.
Discovering evolution equations with applications
McKibben, Mark
2011-01-01
Most existing books on evolution equations tend either to cover a particular class of equations in too much depth for beginners or focus on a very specific research direction. Thus, the field can be daunting for newcomers to the field who need access to preliminary material and behind-the-scenes detail. Taking an applications-oriented, conversational approach, Discovering Evolution Equations with Applications: Volume 2-Stochastic Equations provides an introductory understanding of stochastic evolution equations. The text begins with hands-on introductions to the essentials of real and stochast
A generalized advection dispersion equation
Abdon Atangana
2014-02-01
This paper examines a possible effect of uncertainties, variability or heterogeneity of any dynamic system when being included in its evolution rule; the notion is illustrated with the advection dispersion equation, which describes the groundwater pollution model. An uncertain derivative is defined; some properties of the operator are presented. The operator is used to generalize the advection dispersion equation. The generalized equation differs from the standard equation in four properties. The generalized equation is solved via the variational iteration technique. Some illustrative figures are presented.
Integral equations and their applications
Rahman, M
2007-01-01
For many years, the subject of functional equations has held a prominent place in the attention of mathematicians. In more recent years this attention has been directed to a particular kind of functional equation, an integral equation, wherein the unknown function occurs under the integral sign. The study of this kind of equation is sometimes referred to as the inversion of a definite integral. While scientists and engineers can already choose from a number of books on integral equations, this new book encompasses recent developments including some preliminary backgrounds of formulations of in
Reduction of infinite dimensional equations
Zhongding Li
2006-02-01
Full Text Available In this paper, we use the general Legendre transformation to show the infinite dimensional integrable equations can be reduced to a finite dimensional integrable Hamiltonian system on an invariant set under the flow of the integrable equations. Then we obtain the periodic or quasi-periodic solution of the equation. This generalizes the results of Lax and Novikov regarding the periodic or quasi-periodic solution of the KdV equation to the general case of isospectral Hamiltonian integrable equation. And finally, we discuss the AKNS hierarchy as a special example.
Differential equations extended to superspace
Torres, J. [Instituto de Fisica, Universidad de Guanajuato, A.P. E-143, Leon, Guanajuato (Mexico); Rosu, H.C. [Instituto Potosino de Investigacion Cientifica y Tecnologica, A.P. 3-74, Tangamanga, San Luis Potosi (Mexico)
2003-07-01
We present a simple SUSY Ns = 2 superspace extension of the differential equations in which the sought solutions are considered to be real superfields but maintaining the common derivative operators and the coefficients of the differential equations unaltered. In this way, we get self consistent systems of coupled differential equations for the components of the superfield. This procedure is applied to the Riccati equation, for which we obtain in addition the system of coupled equations corresponding to the components of the general superfield solution. (Author)