Data & Property Calculation Websites از صفحه Dr. G. Ali Mansoori

Data & Property Calculation Websites از صفحه Dr. G. Ali Mansoori

Data Sites
|| Acoustic Material Property Tables / SEA
|| Atomic & Molecular Data in the NASA ADC Archives / CFA-Harvard
|| Azeotropes Data Sources:i.Edinburgh U
|| Bulk moduli / Drexel U
|| Carbon Nanotubes Physical Properties / Michigan State U
|| CKMech / NIST
|| Critical Temperatures and Pressures of Gases / Flexware
|| Data for General, Organic, and Physical Chemistry: i.F & M College; ii.Colby College
|| Data Search for Species by Chemical Formula / NIST
|| Dielectric Constants / ASI Instruments Inc.
|| Elements Database
|| Engineering Chemistry Database/CUNY
|| eMolecules-Draw structure, find information and suppliers for over 9 million molecules
|| F*A*C*T (Facility for the Analysis of Chemical Thermodynamics) / École Polytechnique de Montréal
|| Fundamental Constants / NIST
|| Fundamental Physical Properties (molecular weights; boiling points; critical temperatures, pressures and volumes; and acentric factors) / DATA-BOOKS COM
|| GRI-Mech / Berkeley U
|| Heats of Combustion of Fuels / U Sydney
| Henry's Law Constants / Solubilities: Max Planck Inst.
|| Ionization Energies, Electron Affinities and Electronegativies of the Elements / Tulane U
|| Ionization Potentials and Electron Affinities of Fullerenes / HUJI
|| Key values for standard enthalpy of formation and entropy at 298.15K / CODATA
|| Material Safety Data Sheets / CCOHS
|| Mineralogy Database / wt.net
|| Nanotechnology Database / Loyola U
|| NIST WebBook: A gateway to the data collection of the National Institute of Standards and Technology
|| Periodic Table of Elements and Their Properties: i. UBC; ii. MIT ; iii. RXN Comm.; iv. Sheffield U ; v. Monachos
|| Petroleum Crude Oil Properties Data Base (450 Crudes) / Environment Canada
|| Petroleum Engineering Calculations / PetEng
|| Plastic Material Data Sheets / IDES
|| Poly Ethylene Glycol Solution Properties: i.Densities; ii.Activity, Flory-Huggins X-Parameter / UIC
|| Properties of Some Organic Compounds from Schwarzenbch et al., 1993 (Melting & Boiling Points, Vapor pressures, Aqueous Solubilities, Henry Law Constants, Partition Coeff's) / U Cincinnati
|| Properties of macromolecules and related substances / The Advanced THermal Analysis System
|| Refraction indices of some compounds / Conny
|| Solubility Parameters / malee.com
|| Solvents Database / NCMS
|| Sugar Engineer's Library -- Material Properties / sugartech.co
|| Temperatures of Some Physical Phenomena / U Sydney
|| Thermochemical databases (e.g. SGTE, geochemical) and application-specific data-files (both searchable) / GTT
|| ThermoDex: An Index of Selected Thermodynamic Data Handbooks / U Texas
|| THERMODYNAMICS RESOURCE (Gas-Phase database & Condensed-Phase data file) / Sandia National Lab
|| TINKER - Software Tools for Molecular Design / WUSTL
|| Third Millennium Thermodynamic Database for Combustion and Air-Pollution Use /Technion
Calculation / Program Download Sites
|| Asphaltene Deposition Prediction packages / UIC
|| BLEND: Solid Deposition Prediction due to Petroleum Blends / UIC
|| Chemical Equilibria:
i.In Gas Phase: 1. Virginia Tech, 2.Caltech;
ii.In Aqueous Systems: 1. CHEAQS/Tiscali; 2.Murdoch U; 3.KTH-Sweden
iii.General: 1.CHESS/ENSMP; 2. ChemSage, ChemApp, ChemApp/GTT-Technologies
|| Chemical / Molecular Structures / Models: i. ChemFinder / CambridgeSoft; ii. IUMSC / Indiana U; iii. Protein Data Bank / RCSB Brookhaven National Lab
|| Conversion of Units:
i. Scientific & Engineering (All properties): 1. FU Berlin
ii. Engineering: 1.convert-me.com; 2.AVS; 3.Monachos
iii.Density, Heat Capacity, etc. / Cleave Books
|| Crystal Sketchpad: A Molecular CAD Tool to design diamondoid nanostructures in full atomic-detail/RMITU
|| Equation of State:
1. On-Line Calculator: Ideal Gas Law, SRK. Also Some Vapor Pressure Data and Calculations and some Binary Low Pressure VLE Calculations / s.ohe.com
3. Download: i.vdW,Rk, SRK, PR and GPSA/ozemail.com
|| Flash Phase Separation/petrochemical.gronerth.com
|| Fluid Properties Calculator / U Waterloo
|| Group-Contribution Estimation of Pure Fluid Properties: Boiling Point, Critical Properties, Density, Heat of Vaporization, Solubility Parameter, Vapor Pressure / pirika.com
|| Group-Contribution Estimation of Fluid Mixture Properties: PVT, VLE, Wilson Activity Coeff. Parameters / pirika.com
|| Group-Contribution Estimation of: Azo-Benzene, Flash Point, Heat of Formation, Molecular Volume and Surface / pirika.com
|| Heat of Formation Data: i. saskschools.ca
|| Mathematics:
i.C/C++ Sources for Numerical Computation / UOP
ii.Mathematica / Wolfram Research
iii.Download MuPad - A computer algebra system / U Paderborn
iv.Scientific Calculator: 1.Rolf's; 2.calculator.com; 3.Pezzullo's; 4.CoHort; 5.Downloadable by JRPN; 6.ecalc.com
|| Mathtrek Chemical Equilibrium Software Systems / W. Smith
|| MINEQL+: A Chemical Equilibrium Modeling System
|| Molecular Visualization (RasMol) / U Mass
|| Molecular Weight Calculator: i. ChemicaLogic;
|| COMPUTER SIMULATIONS:
i. Molecular Dynamics Simulation, etc. Applets: U Baffalo
ii. Molecular Dynamics Simulators Download: 1.U Oxford; 2.UIUC; 3.Gromacs; 4.Rosetta Commons
iv.Monte Carlo Methods & Random Numbers / pLab
|| NanoTITAN:nVisualizer and nanoXplorer/NanoTitan
|| NextNano3: 3D nanodevice simulator/WSI
|| OpenThermo
|| Pair correlation function calculation of LJ fluid with the PY-OZ equation / U of Koeln
|| Phase Behavior (Bubble Point, Flash, Differential Liberation, Isothermal Flash Liberation) Prediction of Complex Petroleum Fluids / UIC
|| Phase Transition Temperatures of All Elements (Applet) / Michigan State U
|| ProTherm: Thermodynamic Database for Proteins and Mutants / BioInfo
|| Prof. Sandler's Chemical and Engineering Thermodynamics Downloadable Programs/ U Delaware
|| Prode calculator: ThermoPhysical Properties Library / R. Paron
|| PREDICT: Prediction of Thermodynamic and Transport Properties / Dragon Technology
|| PSYCHROMETRIC Chart:
i. PSYCHROMETRIC CALCULATORS: i1.Taftan;
ii.Psychrometric Chart for Windows: ii1.by Akton Assoc; ii2.by KW Energy Eng
|| Refrigerants: i.Software Pros ii.U Pol Valencia
|| Quantum Mechanics: i. Quantum Computing Simulator / Buffalo U; ii. Gaussian / Gaussian, Inc.; iii. PSI 2.0-Program for SCF, MCSCF, CI, CCSD, CCSD(T) energies and analytical gradients Calculations/U Georgia
|| Silicate Liquids / Magma Thermodynamic Properties / USGS
|| SoftwareGeek
|| Species Data by Chemical Formula / NIST
|| Speed of Sound Calculator: i. EnviroMeasure; ii. sengpielaudio.com; iii.NASA
|| Steam / Water property calculations:
1.Online: i. SteamTab / ChemicaLogic;
2.Download: Thermochemical Prop's / Euromatic
|| Thermodynamic Pages by Quest Consultanta: i. Diagrams ; ii. Fluid Phase Equilibria Page (may take several minutes) iii. Properties ; iv. Properties with final pressure other than one atmosphere ; v. Properties with more chemicals
|| Thermodynamic Properties From Coefficients(PFC) / NASA
|| Thermophysical Properties of Fluids: i.NIST; ii.FluidProp/TU.Delft
|| Virial coefficients calculation: i. Second / U Koeln, ii. Third / U Koeln
Organizations Involved with Data Compilation and Property Calculation
|| CCCBDB/NIST
|| CODATA
|| STN Int'l Databases / FIZ Karlsruhe
|| Hydrocarbons, Petroleum and Natural Gas Containing Heavy Organics (ASPHRAC) / UIC/TRL
|| ICSTI
|| ICSU
|| IUPAC
|| Journal of Petroleum Science & Engineering / Elsevier Science
|| Thermodynamics and Thermochemistry Data Program / NIST
|| The WinSim Inc.
Bibliography:
|| Chemical and Physical Properties Webliography / LSU
|| Educational Websites - Classical, Quantum & Statistical Mechanics & Thermodynamics / UIC
|| Finding chemical and physical data in Web and printed sources: i.U of Adelaide; ii.Duke U

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