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MARTINDALE’S CALCULATORS ON-LINE CENTER CHEMISTRY CENTER CHEMISTRY: R-Z (Calculators, Applets, Spreadsheets, |
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CHEMISTRY: R-Z
Radiocarbon Dating ~
Solid State Chemistry ~
Statistical Mechanics ~ Synthetic Chemistry – Chemical Synthesis Temperature Thermometry & Thermocouple Thermophysical Properties of Air & Fluid Systems
Viscosity ~
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RADIOCARBON CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
CARBON 14 DATING CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
REDOX CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
inputs being the concentrations and stoichiometric coefficients of the reactants and products, and the number of electrons transferred…” For more information see the
SMALL ANGLE SCATTERING CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
SAS CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
with the same radius and optionally different electron densities and different x/y/z coordinates using the Debye-formula in real space…”
or several 3D (cubic) lattices, respectively….”
from the shape’s centroid (center of gravity). Select the geometrical shape, lengths of…”
horizontal slit aperture (s), where s must be equal or bigger than f, distance focus-to-slit (d1) and distance slit-to-focus (d2),…” SMALL ANGLE NEUTRON SCATTERING CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
Scattering Length Density Calculator for Thermal Neutron Cross Sections Scattering Length Density Calculator
in g/cm3 this applet can calculate the real and imaginary portions of the scattering length density of the material for neutrons and x-rays…”
You can also smear the SANS data using a set of instrument parameters…”
media and calculate neutron reflectivities…” |
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SOIL CHEMISTRY RELATED CENTERS FOR MORE SOIL CHEMISTRY COURSES, TEXTBOOKS, DATABASES, CALCULATORS, ETC. SEE SOIL CHEMISTRY COURSES, TEXTBOOKS & LECTURES
X-ray Diffraction Data Processing; Hydrous Layered Silicates; Ionic Radii and Structural Formula Calculations; Associated Mineral Phases and their XRD Identification; XRD Identification of Discrete Clay Minerals (Illite, Chlorite, Kaolinite, Smectite, Vermiculite) Mixed-layer Clays and their XRD Identification; Quantitative XRD Analysis of Mineral Mixtures; Reicprocal Lattice, Electron Diffraction; Electron Optics; The Geochemistry of Clays; Equilibrium Adsorption and Ion Exchange; Weathering Reactions and Stability Diagrams; etc…” For more information see SOLID STATE CHEMISTRY RELATED CENTERS FOR SEMICONDUCTORS & MICROELECTRONICS COURSES, TEXTBOOKS, CALCULATORS, ETC. SEE FOR CRYSTALLOGRAPHY COURSES, TEXTBOOKS, CALCULATORS, ETC. SEE FOR NANOTECHNOLOGY COURSES, TEXTBOOKS, CALCULATORS, ETC. SEE SOLID STATE CHEMISTRY COURSES
Electron Shell Model & Quantum Numbers Video Lecture; The Aufbau Principle; Photoelectron Spectroscopy Video Lecture; etc…” Bonding and Molecules
Hybridized & Molecular Orbitals; Paramagnetism Video Lecture; Intermolecular Forces Video Lecture; etc…” Electronic Materials;
Polymers: Synthesis, Properties & Applications Video Lecture; Biochemistry: Lipids, Nucleic Acids & DNA Video Lecture; etc…” Solid Solutions; etc. For more information see
Examples of “Solid State Chemistry” Course Chapters include
Spectroscopic Techniques for Studying Gandstructure; Semiconductors; Doping of Semiconductors; The Mott-Hubbard Gap and Breakdown of the Band Model; Defects in Solids; Non-stoichiometry; etc…” For more information see the SOLUBILITY CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
binary, ternary and quaternary systems are presented. Typical solvents and solutes include water, sea water, heavy water, inorganic compounds, and a variety of organic compounds…” IUPAC-NIST Solubility Database includes
IUPAC Solubility Data Series. There are about 1800 chemical substances in the database and 5200 systems, of which 473 have been critically evaluated. The database has over 1800 references…” For more information see
SOLUBILITY CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
For more information see
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Spectroscopy
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appropriate in reference to spectroscopy. Most of what we know about the structure of atoms and molecules comes from studying their interaction with light (electromagnetic radiation). Different regions of the electromagnetic spectrum provide different kinds of information as a result of such interactions…” Examples of “Introduction to Spectroscopy” Course Chapters & Subchapters include
Characteristics of Mass Spectra; Isotopes; Fragmentation Patterns; High Resolution Spectra; etc…” Ultraviolet-Visible Spectroscopy
UV-Visible Absorption Spectra; The Importance of Conjugation; etc…” Infrared Spectroscopy
Group Frequencies…” Nuclear Magnetic Resonance Spectroscopy
Carbon NMR Spectroscopy; etc…” For more information see
Two-Level System; etc…” Basics of a Time-Dependent Hamilitonian
Quantum Dynamics: The Time-Evolution Operator; Schrödinger, Heisenberg and Interaction Pictures; Perturbation Theory; Fermi’s Golden Rule; etc…” Interaction of Light and Matter
Cross-Section for Absorption and Stimulated Emission; Spontaneous Emission; Quantized Radiation Field; etc…” Spectroscopoy with Correlation Functions;
Fluctuations in Spectroscopy; Quantum Fluctuations: Energy Gap Hamiltonian; etc…” Linear Response Theory; For more information see
Some examples of “Interactive Computer Models for Analytical Chemistry Instruction” Computer Models & Simulations include
Animated Diffraction Grating Photomultiplier Light Measurement System; Error propagation in Analytical Calibration; etc…” Examples of “Molecular Spectrometry Computer Models & Simulations” include
Instrumental Deviations from Beer’s Law; Calibration Curve Fitting Methods in Absorption Spectroscopy; Fluorescence Spectroscopy Signal-to-Noise Ratio; Effect of Slit Width on Signal-to-Noise Ratio in Absorption Spectroscopy; etc…” Examples of “Atomic Spectrometry Computer Models & Simulations” include
Spectroscopy of Atomic Absorption; etc…” Examples of “Classical, Electrical, and Computational Methods Computer Models & Simulations” include
Resolution of Capillary Chromatography; Triprotic Titration Data Analysis; Monoprotic Titration Curve Model; etc…” For more information see
Spectroscopy Calculators include:
Enhanced IR-Wizard (more than 2000 entries)…” Spectroscopy Databases & Calculators include:
NMR- Solvents; J(H,H)- Couplings; 13C chemical shifts Calculator; 17O chemical shifts; 13C chemical shift; etc…” For more information see |
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Absorbance Spectrum Calculator; Effect of Cell Path Length Calculator; Effect of Concentration Calculator; Beer’s Law Calculator; etc…” For more information see
Auger electrons. Auger electron emission is stimulated by bombarding the sample with an electron beam…” Examples of “Auger Electron Spectrometry” Lessons include
Electron Beam Effects; Auger Analytical Volume; Auger Electron Spectroscopy; Uses for AES; Limitations of AES; Auger Electron Energies; Elemental Quantitation; Auger Electron Emission Probabilities; Auger Depth Profiling; etc…” For more information see
to XPS, AES and to be able to extract the only part of the publication connected to it. Keywords used for bibliography are often not enough precise to quickly obtain specific results. This database has to be considered as a new tool, complementary to the ones yet existing…” For more information see
doublet splittings, and energy separations of photoelectron and Auger-electron lines…” For more information see
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Physical Electrochemistry and Equivalent Circuit Elements; Extracting Model Parameters from Data; Kramers-Kronig Analysis; etc…” For more information see
INFRA-RED SPECTROSCOPY CALCULATORS, APPLETS, SIMULATIONS, ETC. IR Spectroscopy Lectures, Lessons, etc.
Spectra using Group Theoretical methods…” Examples of “Spectra” Lessons include
Symmetry; Assigning Spectra; etc…” For more information see the
For more information see
provides 1H NMR and 13C NMR, DEPT, COSY and IR spectra of various compounds for students to interpret…” For more information see the Infrared Spectra Databases – IR Databases
heterodyne frequency measurements for the calibration of infrared spectrometers. Many of the calibration tables have improved uncertainties due to recent contributions of workers who have made new sub-Doppler frequency measurements…” For more information see |
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Mass Spectrometery Courses & Lectures
ionized atoms or molecules to separate them from each other. Mass spectrometry is therefore useful for quantitation of atoms or molecules and also for determining chemical and structural information about molecules…” For more information see Mass Spectrometery Calculators, Tools, Applets
Ligand 1 (OAc, CO3, ox, tartrate, cit, acac); Ligand 2 (tris, Ala, Arg, Asn, Asp, etc.); Accessory Ligand 1 (NH3, H2O, OH, F, Cl, Br, etc.); Accessory Ligand 2; Accessory Ligand 3; Counter Ion; etc…”
oligonucleotide can have up to 5 bases. The nucleotides can be in their hydrogen or alkali metal ion forms…”
and lists the monoisotopic mass of each cross-linked peptide…”
peak abundances for ions and generates a Beynon table for a given mass number…” For more information see
mass spectrometry measurements or other soft ionization techniques like CI-MS or FI-MS or FD-MS or APCI-MS…” For more information see
For more information see
the data both in chart or tabular form as well as in a mass spectrum chart form…” For more information see |
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MAGNETIC RESONANCE IMAGING SPECTROSCOPY CALCULATORS & APPLETS NMR & MRI RELATED CENTERS FOR NMR & MRI COURSES, TEXTBOOKS, LECTURES, ETC. SEE FOR NMR PERIODICAL TABLES SEE
provides 1H NMR and 13C NMR, DEPT, COSY and IR spectra of various compounds for students to interpret…” For more information see
Alpha Substituents; Beta Substituents; Gamma Substituents…”
Coupling Constants…”
understand the role of group theory in assigning infra-red and Raman spectra…” Examples of “Spectra” Lessons include
Symmetry; Assigning Spectra; etc…” For more information see the
computer simulation of a Raman spectrum…” For more information see
Rotational Raman Spectroscopy Rigid Rotor Model Calculator Rotational Raman Spectroscopy Rigid Rotor Model Calculator
Spectrum of an hypothetical molecule, excited with a 333nm laser….”
Scattering Cross Sections; Metal Silicide Example; Layer Thickness Measurements; Elemental Concentrations; Straggling; Channeling; Density Effects; etc…” For more information see
Secondary Ion Yields; Relative Sensitivity Factors; RSF Tables; Depth Profiling; Depth Resolution; Bulk Analysis; Mass Spectra; Mass Interferences; Ion Imaging; etc…” For more information see |
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Hydrocarbon Spectral Database…” “…Each of the databases covers primarily the microwave region with some data available for the radio frequency region…” “…Rotational spectral lines for 121 diatomic molecules, 55 triatomic molecules, and 91 hydrocarbon molecules have been tabulated. The isotopic molecular species, assigned quantum numbers, observed frequency, estimated measurement uncertainty, and reference are given…” For more information see
Triatomic Spectral Database; Hydrocarbon Spectral Database. Wavenumber Tables for Calibration of Infrared Spectrometers; For more information see
and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties…” NMRShiftDB includes
For more information see the
Examples of “Biological Magnetic Resonance Data” Categories & Subcategories include
13C Chemical Shifts; 15N Chemical Shifts; 31P Chemical Shifts; Coupling Constants; Dipolar Couplings; Heteronuclear NOE Values; H-Exchange Rates; etc…” NMR Spectral Parameters; For more information see the
doublet splittings, and energy separations of photoelectron and Auger-electron lines…” For more information see
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STATISTICAL MECHANICS COURSES, LECTURES & TEXTBOOKS Statistical Mechanics Textbooks
but of sophisticated students and researchers in mathematics, biology, engineering, computer science, and the social sciences….” Examples of “Statistical Mechanics: Entropy, Order Parameters, and Complexity” Textbook Chapters include
Temperature and equilibrium; Entropy; Free energies; Quantum statistical mechanics; Order parameters, broken symmetry, and topology; Abrupt phase transitions; etc…” For more information see Statistical Mechanics Courses & Lectures
at the macroscale (thermodynamics) can be obtained by analyzing the spontaneous fluctuations at the microscale (dynamics of molecules)…” Examples of “Introduction to Statistical Mechanics” Lectures include
Probability; Classical Mechanics; Microcanonical Ensemble; Thermodynamics Entropy; NPT and Grand Canonical Ensembles; Applications to Solids; etc…” For more information see
Statistical Ensembles; Noninteracting Quantum Systems; Interacting Systems; Mean Field Theory of Phase Transitions; Nonequilibrium Phenomena; etc…” For more information see
Critical phenomena. Scaling. Continuum field theory; Monte Carlo; Finish Coldea experiment. Begin frustrated magnets and ice; Spin ice. Spin liquid and correlations; Finish spin ice. Begin order by disorder; Quantum critical points in metals – introduction; Hertz theory. Upper critical dimension; etc…” For more information see
Characterizing the structure of liquids; Perturbation theory and the van der Waals equation; Discretized and continuous path integrals; Expansion about the classical path and stationary phase; Calculation of spectra from perturbation theory; etc…” For more information see the |
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STOICHIOMETRY CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
For more information see the SURFACE SCIENCE COURSES & LECTURES WITH ANIMATIONS & SIMULATIONS Undergraduate Surface Chemistry Courses & Lectures
interface of two phases, including solid-liquid interfaces, solid-gas interfaces, solid-vacuum interfaces, and liquid-gas interfaces. It includes the fields of surface chemistry and surface physics…” Examples of “An Introduction to Surface Chemistry” Chapters & Subchapters include
Energetics of Surfaces; Particulate Metals; etc…” Adsorption of Molecules on Surfaces
Kinetics of Adsorption; Adsorbate Geometries & Structures; etc…” The Langmuir Isotherm
Variation of Surface Coverage with T & P; etc…” Surface Analytical Techniques
Auger Electron Spectroscopy; Photoelectron Spectroscopy; Vibrational Spectroscopy; Secondary Ion Mass Spectroscopy; Temperature Programmed Techniques; etc….” Surface Imaging & Depth Profiling
Imaging XPS; SIMS Imaging & Depth Profiling; Auger Depth Profiling; Scanning Probe Microscopy; etc…” For more information see
vibrational properties of atoms and molecules at surfaces from both theoretical and experimental viewpoints…” Examples of “Atoms & Molecules at Surfaces” Course Chapters & Subchapters include
Crystal Planes & Surfaces; Relaxation, Reconstruction & Surface Crystallography; Defects at Surfaces; etc….” Ultra High Vacuums/UHV
Pressure Measurement; etc…” Adsorption & Growth
Chemisorption; Nucleation and Thin Film Growth; etc…” Surface States
Tight Binding Model; Semiconductors and Surface States: Band Bending & Electron Counting; etc…” Techniques for Surface Analysis
Structural Analysis; Vibrational Spectroscopies; Electron Spectrometers; etc…” Scanning Tunnelling Microscopy
STM Design and Instrumentation; etc….” For more information see
materials characterization techniques: Secondary Ion Mass Spectrometry (SIMS), Rutherford Backscattering Spectrometry (RBS), and Auger Electron Spectrometry (AES)…” For more information see Graduate Surface Chemistry Courses & Lectures
Surface Energies and the Wulff Theorem; Kinetics versus Thermodynamics; Surface Reconstructions; etc…” Surfaces in Vacuum: UHV Techniques
Vacuum Concepts; UHV Hardware…” Techniques for Examining Surfaces
Diffraction and Quasi-Elastic Scattering; Techniques for Chemical Analysis; Quantification of Auger Spectra; Microscopy-Spectroscopy: SEM, SAM, SPM; etc…” Electric and Magnetic Processes at Metal Surfaces
Electron Emission Phenomena; Magnetic Processes at Surfaces; Conduction Processes at Surface; etc…” For more information see SURFACE SCIENCE CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
Depostion of (Element; Density; Atomic/molecular mass); etc…” For more information see CRYSTAL SURFACE ANALYSIS CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS FOR CRYSTAL SURFACE ANALYSIS CALCULATORS & DATABASES SEE SURFACE SCIENCE DATABASES FOR RELATED DATABASES SEE FOR RELATED CALCULATORS/DATABASES SEE FOR RELATED CALCULATORS/DATABASES SEE
to XPS, AES and to be able to extract the only part of the publication connected to it. Keywords used for bibliography are often not enough precise to quickly obtain specific results. This database has to be considered as a new tool, complementary to the ones yet existing…” For more information see
doublet splittings, and energy separations of photoelectron and Auger-electron lines…” For more information see
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SYMMETRY AND POINT GROUPS COURSES, TEXTBOOKS, LECTURES, ETC.
inter-relations and specific information regarding dipole-transition selection rules…” Examples of “Point Group Symmetry” Course Sections include
Categorisation of point groups crystal class (cubic, tetragonal etc.); General rules for products of irreducible representations; Isomorphism and symmetry operation periodicity; Stereographs for non-cubic crystallographic point groups; 3D objects for crystallographic point groups; etc…” For more information see
and properties of organic compounds. In chemistry, many phenomena may be easily explained by consideration of symmetry. The systematic discussion of symmetry is called group theory…” Examples of “Molecular Structures of Organic Compounds – Symmetry and Point Groups” Lectures include
Symmetry Elements and Operations; Combination of Symmetry Operations; Point Groups; Crystallographic Point Groups and Stereographic Projections; Point Groups of Crystal Classes; High-Symmetry Point Groups of Platonic Solids; Symmetry Elements of Point Groups; Three-dimensional Shape of Objects; Point Group Separation Procedure; Chiral and Polar Point Groups; etc…” For more information see
and their use in determining the symmetry classification (point group) of different molecules…” Symmetry Gallery
interactive display of all symmetry elements and animation of all operations…” For more information see
enable three-dimensional and interactive display of molecules and their symmetry elements…” For more information see
continous chirality measure online for any molecule. At the moment, only PDB file format is accepted…”
SYNTHETIC CHEMISTRY COURSES, TEXTBOOKS, LECTURES, ETC.
Strategies for Synthesis; Carbanionic Synthons; Stereocontrolled Alkylation; Stereocontrolled Addition to Carbonyls; Addition of Allylmetals to Carbonyls; Stereocontrolled Aldol Reactions; etc…” For more information see SYNTHETIC CHEMISTRY DATABASES, ETC.
detailed, reliable, and carefully checked procedures for the synthesis of organic compounds. Some procedures describe practical methods for the preparation of specific compounds of interest, while other procedures illustrate…” For more information see
Protecting Groups; Microwave Synthesis; Multicomponent Reactions; Organocatalysis; etc…” For more information see
publish practical and reliable organic, organometallic and inorganic chemical synthesis, reactions and procedures deposited by synthetic chemists…”
key reactions that illustrate important transformation of general utility…: For more information see SYNTHESIS CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
of a reaction, or select a reactant and a product to search for a pathway. Once the pathway is displayed, click on a step number…” For more information see
synthesis or to check a known synthesis…” Synthesis Calculator INPUT Values include:
Molecular Weight; Molar Ratio; Number of Moles; etc…” For more information see
TEMPERATURE RELATED CENTERS FOR TEMPERATURE CONVERSION CALCULATORS SEE THE
ZERO BALANCE CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
parallel with the bridge, will balance the sensor’s zero…” Zero Balance Calculator INPUT Values include:
For more information see
THERMOCOUPLE DATABASE
thermocouple electromotive force (emf) versus temperature have been adopted as standards by the American Society for Testing and Materials (ASTM) and the International Electrotechnical Commission (IEC)…” For more information see the |
Thermodynamics
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Thermodynamics
Thermodynamics Courses & Textbooks
processes that involve changes in temperature, transformation of energy, and the relationships between heat and work…” Examples of “Thermodynamics” Course Chapters include
The First Law of Thermodynamics; The First Law Applied to Engineering Cycles; Background to the Second Law of Thermodynamics; The Second Law of Thermodynamics; Applications of the Second Law; Entropy on the Microscopic Scale; Power Cycles with Two-Phase Media; Introduction to Propulsion; Integral Momentum Equation; Generating Heat: Thermochemistry; Conductive Heat Transfer; Convective Heat Transfer; etc…” For more information see
Energy and Work, the 1st Law of Thermodynamics; Transport Phenomena; Macrostates and Microstates; Entropy and the 2nd Law of Thermodynamics; Entropy and Temperature; Heat Engines; Thermodynamic Potentials; The van der Waals Gas; Phase Transformations in Binary Mixtures; Chemical Equilibrium; Boltzmann Statistics; Canonical Ensembles; Degenerate Fermi Gas; Bose-Einstein Condensation; Debye Theory of Solids; etc…” For more information see
Gibbsien Equations; Legendre Transforms; Introduction to Statistical Mechanics; Statistics & Ensembles; Classical & Semi-classical Partition Functions; Chemical Equilibrium Constants and Nonideal Behavior; Virial Coefficients, Equations of State, and the Pair Correlation Function; Conformal Solutions Theory and Generalized Cubic EOS; etc…” For more information see the
Statistical Ensembles; Noninteracting Quantum Systems; Interacting Systems; Mean Field Theory of Phase Transitions; Nonequilibrium Phenomena; etc…” For more information see
of many body systems. Virtually all substances which we encounter in everyday life are many body systems of some sort or other (e.g., solids, liquids, gases, and light). Not surprisingly, therefore, thermodynamics is a discipline with an exceptionally wide range of applicability…” Examples of “Thermodynamics & Statistical Mechanics” Course Chapters include
Statistical Mechanics; Heat and Work; Statistical Thermodynamics; Classical Thermodynamics; Applications of Statistical Thermodynamics; Quantum Statistics; etc…” For more information see the Thermodynamics Tools, Calculators, Applets, Simulations, Lessons
TEST offers analysis tools for property evaluation of hundreds of working substances, energy, entropy, and exergy analysis of open and closed systems, IC engines, gas and vapor power cycles, refrigeration, HVAC, combustion, chemical equilibrium, and gas dynamics…” For more information see the
Quebec, Canada. We hope you find it is a useful tool to help you understand common heat transfer problems and thermal phenomena. Although we try and test the tools to ensure quality, this tool is provided for your personal use…” Thermal Wizard includes:
Air; Gases; Water; Liquids; etc…” Conduction Calculators examples include
Conduction Across Multilayered Isothermal Cylinder Calculator; Thermal Interface (Contact) Resistance and Temperature Difference Calculator; Rectangular Thin Plate Embedded in Semi-Infinite Medium Calculator; etc…” Convection Calculators examples include:
Forced Convection in the Fully Developed Region of a Duct Calculator; Forced Convection Across Isothermal Square Rod Calculator; Natural Convection in a Vertical Parallel Plate Channel Calculator; Natural Convection between Horizontal Concentric Cylinders Calculator; etc…” Radiation Calculators examples include:
Radiation between Parallel Disk Surfaces of Unequal Radius Calculator; etc…” Head Loss Coefficients Calculators examples include:
Head Loss Across a Thin Perforated Plate Calculator; Head Loss Across Louvers Calculator; etc…” For more information see |
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Thermochemical
selected set of 631 gas-phase molecules. Tools for comparing experimental and computational ideal-gas thermochemical properties…” Computational Chemistry Comparison and Benchmark Calculated Data includes:
Rotation and Moments of Inertia; Bond orders from AIM analysis; Point Group for a given molecule at different levels of theory; etc…” Vibrations Calculated Data
Vibrational frequencies, intensities and reduced masses; Compare reduced masses for a given vibrational mode; Bad Vibrational Frequency calculations; etc…” Entropies Calculated Data
Energetics Calculated Data
Barriers to Internal Rotation; Nuclear repulsion Energies; etc…” Electrostatics Calculated Data
Electric dipole moments; Polarizabilities; etc…” Compare Calculations
Compare calculated vibrational intensities vibrations; Compare energy difference of a single point calculation; Calculated properties for several species; etc…” For more information see the
It allows the user to perform simulations of crystallization and assimilation in magmatic systems under various evolution scenarios, such as adiabatic decompression melting, fractional crystallization, etc…” Geothermometer Applet
geothermometer. Once completed. theapplet will permit on-the-fly creation of mineral geothermometers by allowing the user to select among internally consistent thermodynamic models for phases, mixing and matching endmembers, until univariant reactions are…” Phase Properties Applet
at OFM Research Inc. It allows the user to select a phase, optionally input its composition, convert between practical and thermodynamic components, and…” For more information see the
Parahydrogen; Deuterium; Oxygen, Fluorine; Carbon monoxide; Carbon dioxide; Dinitrogen Monoxide; Deuterium oxide; Methanol; Methane; Ethane; Ethene; Propane; Propene; Propyne; Cyclopropane; Butane; etc.); Units (Temperature; Pressure; Denstiy; Energy; Velocity; Viscosity; Surface Tension); Type of Data (Isothermal Properties; Isobaric Properties; Isochoric Properties; Saturation Properties)…” Thermophysical Properties of Fluid Systems Calculator output values include:
Critical Temperature; Critical Pressure; Critical Density; Acentric Factor; Normal Boiling Point; Dipole Moment); etc…” For more information see
components and produce a graph of pressure vs. volume with lines of constant temperature. A second graph is pressure vs. enthalpy with lines of constant temperature…” Thermodynamic Properties Calculator (with Final Pressure Other Than One Atmosphere)
components and determine the vapor-liquid split (if two-phase), the liquid and vapor densities, enthalpies, heat capacities, and compositions at an input temperature and pressure…” Thermodynamic Properties Calculator (for Light Hydrocarbons)
or a mixture of components and determine the vapor-liquid split (if two-phase), the liquid and vapor densities, enthalpies, heat capacities, and compositions at an input temperature and pressure…” Dew Points and Bubble Points Calculator
components and calculate dew points and bubble points. This page is uses the Peng-Robinson equation of state to predict the properties of these mixtures…” For more information see
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of phase stability relationships in abinary system with up to 4 phases…&…will compute and display the G-X diagram in the panel at upper-right and isobaric and isothermal sections in the lower panels…” For more information see
from any set of reactants and determines thermodynamic and transport properties for the product mixture. Built-in applications include calculation of theoretical rocket performance, Chapman-Jouguet detonation parameters, shock tube parameters, and combustion properties…” “…Associated with the program are independent databases with transport and thermodynamic properties of individual species. Over 2000 species are contained in the thermodynamic database…” Thermo Build
state thermodynamic properties of individual species…” CAP (Coefficients And Properties)
from thermodynamic data in the NASA format…” PAC (Properties And Coefficients)
required by CEA, from gas-phase spectroscopic constants or tabulated literature data…” For more information see
role in the prediction of the extent of reaction and the position of equilibrium for any process in which these reactions occur…” “…The data presented herein is limited to direct equilibrium and calorimetric measurements performed on these reactions under in vitro conditions. This is the principal thermodynamic information that is needed to determine the position of equilibrium of a given reaction…” Examples of “Enzyme Catalyzed Reactions” using predefined values include
Buffer; Enzyme; EC-Number; Method; pH; Cofactor; Evaluation; etc…” For more information see
HEAT TRANSFER CALCULATORS, APPLETS & SPREADSHEETS (XLS) THERMAL CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS Heat Transfer Courses, Lectures, Textbooks, etc.
Heat Conduction Concepts, Thermal Resistance, and the Overall Heat Transfer Coefficient; Heat Exchanger Design; Analysis of Heat Conduction and some Steady One-dimensional Problems; Transient and Multidimensional Heat Conduction; Laminar and Turbulent Boundary Layers; Forced Convection in a Variety of Configurations; Heat Transfer in Boiling and other Phase-change Configurations; Radiative Heat Transfer; An Introduction to Mass Transfer; etc. For more information see Heat Conduction Calculators, Applets, Simulations, etc.
Stainless Steel; etc…” Thickness; Temperature…” For more information see Heat Transfer Calculators, Spreadsheets (xls), Models, etc.
Fluid Properties: Thermal Fluid Properties Calculator; Heat Sinks: Natural Convection for Rectangular Heat Sinks Calculator; Special Functions Calculator
complementary error functions, gamma functions, and Bessel functions of integer or fractional order, etc. Spreading Resistance Calculators
Spreading Resistance of Rectangular Disk with Edge Cooling Calculator; etc…” For more information see the
conduction in a unit square with one boundary held at a different temperature than the other three and…” Planck’s Law Calculator
power for a number of source temperatures…” Radiation View Factors Calculators include:
Coaxial Disks Calculator; Coaxial Cylinders Calculator; Parallel Rectangles Calculator…” Solution of Blasius Equation Calculator
for flow in a laminar, self-similar, flat plate boundary layer. The Runge-Kutta integration scheme and shooting algorithm…” Internal-Flow Convection Correlations Calculator
a circular pipe as a function of the Reynolds (based on diameter) and Prandtl numbers…” One-Dimensional Compressible Flows Calculator
(2) Normal shock functions, (3) Flow with friction (Fanno Line), and (4) Flow with heat addition (Rayleigh Line)…” For more information see Thermal Calculators, Applets, Simulations, Models, etc.
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for a species, a group of species, or a chemical reaction…” “…Select the units, specify a temperature range and enter a chemical reaction – Up to 2 reactants and 2 products may be entered…” “…If the reaction is unbalanced (and contains no charged ions), Reaction-Web attempts to balance it before computing the properties…” Predom-Web – One-metal Isothermal Predominance Area Diagram
which possible compound phases are most stable over the specified ranges of the axes….” EpH-Web – One-metal Eh vs pH Pourbaix Diagram
various concentrations (m) of solutes in a dilute aqueous phase…”
FACT Database for Hall Aluminum Process; FACT Light Metal Alloy Databases; FactSage Lead Alloy Database; FactSage Steel Alloy Database; SGTE Solder Alloy Database; etc…”
Binary Noble Metal Phase Diagrams; Binary Copper Phase Diagrams; Binary Lead Phase Diagrams; Nuclear Binary and Ternary Phase Diagrams; Aluminium Pproduction Phase Diagrams; Pulp and Paper Phase Diagrams; etc…”
thousands of compounds as well as to evaluated and optimized databases for hundreds of solutions of metals, liquid and solid oxide solutions, mattes, molten and solid salt solutions, aqueous solutions, etc…” With FactSage
multicomponent equilibria, with a wide variety of tabular and graphical output modes, under a large range of constraints. For example, general N-component phase diagram sections can be easily generated with a wide choice of axis variables; matte/metal/slag/gas/solid equilibria can be accurately calculated, tabulated and plotted for industrial systems; multicomponent predominance and EpH diagrams…” For more information see the
Limits of Axes
For more information see the
to 3 reactants containing a total of up to 5 different elements…”
zero magnetic field calculated from D.S. Greywall…” Helium 3 Calculator INPUT Values include:
For more information see
For more information see |
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kinetics results for thermal gas-phase chemical reactions. The database is designed to be searched for kinetics data based on the specific reactants involved, for reactions resulting in specified products, for all the reactions of a particular species, or for various combinations of these…” Chemical Kinetics Database
separate reaction records for over 11,700 distinct reactant pairs…” For more information see
Unsaturated Oxygenates Compounds; Nitrogen Containing Oxygenates Compounds; etc…” For more information see
IUPAC Subcommittee for Gas Kinetic Data Evaluation…” Evaluated Kinetic Databases include
Data sheets for photolysis reactions of Ox, HOx, NOx, SOx and organic species; Data sheets for hetereogeneous reactions on solids; Data sheets for hetereogeneous reactions on liquids…” For more information see
records with a total of 29,141 rate constants…” “…Enter the reactant(s), product(s), and/or solvent(s) in the fields below. Compounds may be entered by formula, name, or CAS number…” For more information see
petrology students interested in extracting pressure-temperature information from rocks. It is assumed that you have completed a typical undergraduate petrology course…” Examples of “Mineral Thermobarometry” Course Lessons include
Chemical Mineralogy of Common Mineral Groups; Solid solutions, mixing models and activity calculations; etc…” THERMOCALC
for tackling mineral equilibria problems. It has two main components: the application itself, and the internally-consistent thermodynamic dataset it uses…” For more information see
Combustion
Engine Cycle Models
Finite Heat Release Otto Cycle; Finite Heat Release Otto Cycle with Heat Transfer…” For more information see
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THEORECTICAL CHEMISTRY COURSES, LECTURES, TEXTBOOKS, ETC.
to the field of theoretical chemistry, both in a historical context and as it is practiced today…” Examples of “Theoretical Chemistry” Course Subject Categories include
The Laboratory-Theory Interface: What do Experiments Measure?; What is Present Day Theoretical Chemistry About?; etc…” For more information see
by mapping it exactly to a much easier-to-solve non-interacting problem. Its methodology is applied in a large variety of fields to many different problems, with the ground-state electronic structure problem simply being the most ubiquitous…” Examples from over “24” “The ABC of DFT (Density Functional Theory)” Textbook Chapters include
The Local Density Approximation; Spin; Simple Exact Conditions; Exchange-correlation Hole; Generalized Gradient Approximations; Orbital Functionals; Time-dependent Density Functional Theory; etc…” For more information see the
THERMOPHYSICAL PROPERTIES OF FLUID SYSTEMS CALCULATORS & APPLETS
Fluorine; Carbon monoxide; Carbon dioxide; Dinitrogen Monoxide; Deuterium oxide; Methanol; Methane; Ethane; Ethene; Propane; Propene; Propyne; Cyclopropane; Butane; etc…” Units
Viscosity; Surface Tension…” Type of Data
Saturation Properties…” Thermophysical Properties of Fluid Systems Calculator OUTPUT values include:
Auxiliary Data
Critical Pressure; Critical Density; Acentric Factor; Normal Boiling Point; Dipole Moment…” etc. For more information see
VISCOSITY CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
the motion of any solid object through the fluid and also against motion of the fluid itself past stationary obstacles. Viscosity also acts internally on the fluid between slower and faster moving adjacent layers…” For more information see
the resistance gets higher,…” Viscosity Calculator INPUT Values include:
For more information see
Hydrocarbon Vapor; Hydrogen; Natural Gas; Nitrogen; Oxygen; Sulfur Dioxide…” Temperature
Viscosity Units
For more information see
For more information see
X-RAY INTERACTIONS WITH MATTER CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
X0h X0h
and other materials in X-ray range with the option to compare data from different databases…” X0h-search
respective X-ray standing waves from multilayers with interface roughness and transition layers…”
available experimental measurements and theoretical calculations…” For more information see
Photon Energy, Wavelength or Grazing Angle Range;
Magnetic Field; Polarization; etc…”
Polarization; Scan; etc…”
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