
Nano, Quantum & Statistical Mechancis & Thermodynamics
Data & Property Calculation Websites
Data Sites
|| Atomic
&
Molecular Data in the NASA ADC Archives / CFA-Harvard
|| Azeotropes Data Sources:i.Edinburgh
U
|| Materials
Data Book / Cambridge-MIT Inst.
|| Carbon
Nanotubes Physical Properties / Michigan State U
||
Chemical Kinetics Database / NIST
||
Properties (Critical T & P of Various Gases / Flexware
|| Organic Compounds Database:
Colby College
|| Data
Search for Species by Chemical Formula / NIST
|| Dielectric
Constants / hyperphysics.
|| Elements Database
|| Engineering & Environmental Science 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) / Ecole
Polytechnique de Montreal
||
Fundamental Physical 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 (Enthalpies)
of Combustion of Fuels / ausetute.com.au
||
Ionization Energies, Electron Affinities and Electronegativies of the
Elements / Tulane U
||
Ionization Potentials and Electron Affinities of Fullerenes /
HUJI
|| Key
values
for standard enthalpy and entropy of formation at 298.15 K / CODATA
|| Material Safety Data
Sheets (MSDS) / CCOHS
||
Mineralogy Database / webmineral.com
||
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. Lenntech ;
ii. RXN Comm.;
iii. Sheffield
U ;
iv. Monachos
|| Petroleum
Crude Oil Properties Data Base (450 Crudes) / Environment Canada
|| Petroleum
Engineering Calculations / petroleumoffice.com
|| Plastic
Material Data Sheets / IDES Prospector
|| Poly Ethylene Glycol Solution Properties: i.Densities;
ii.Activity,
Flory-Huggins
X-Parameter / GAM
||
Thermal Properties of Linear Macromolecules
and Related Small Molecules / ATHAS Data Bank
||
Refractive Index (Liquids, Solids and Gases) / engineeringtoolbox.com
|| Solubility
Parameter Data / polymerdatabase.com
|| Solvents
Database / NCMS
|| Sugar
Engineer's Library -- Material Properties / sugartech.co
||
Thermophysical Properties of Fluid Systems / NIST
|| ThermoDex:
An Index of Selected Thermodynamic Data Handbooks / U Texas
|| THERMODYNAMICS
RESOURCE (Gas-Phase, Condensed-Phase Data Systems, etc.) / Sandia
National Lab
|| TINKER -
Software Tools for Molecular Design / WUSTL
|| Third Millennium
Ideal Gas and Condensed Phase Thermochemical Database for Combustion/ANL
|| Most generalized equation to predict
vapor pressure of all liquids / UIC
Calculation / Program Download Sites
|| Asphaltene Deposition
Prediction
packages / GAM
|| BLEND: Solid Deposition
Prediction due to
Petroleum Blends / GAM
|| Chemical Equilibria:
i.In Gas Phase: 1.
Virginia Tech, 2.Caltech;
ii.In Aqueous Systems: 1. CHEAQS;
2.Murdoch
U;
3.KTH-Sweden
2.
ChemApp/GTT-Technologies
|| Chemical / Molecular Structures / Models:
i. ChemBioFinder
/PerkinElmer;
ii. IUMSC /
Indiana U;
iii. Protein Data Bank
/ RCSB-BNL;
iv. ChemSpider;
v. eMolecules;
vi. Organic.Chemistry.org
|| Conversion of Units:
i. Scientific & Engineering (All properties): 1.
FU Berlin
ii. Engineering:
1.convert-me.com;
2.AIP;
3.Monachos
iii.Density, Heat Capacity, etc. / Cleave
Books
|| Molecular Nanotechnology ("nanotech")
/David Carybros
|| 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
2. Download: vdW,Rk,
SRK, PR and GPSA/engineering.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 / NSHS
|| Mathematics:
i.C/C++
Sources for Numerical Computation
ii.Mathematica
/ Wolfram Research
iii.Download
MuPad - A computer algebra system / U Paderborn
iv.Scientific Calculator:
1.calculator.com;
2.Pezzullo's;
3.CoHort;
4.Downloadable by JRPN;
||
Mathtrek Chemical Equilibrium Software Systems / W. Smith
||
MINEQL+: A Chemical Equilibrium Modeling System
|| Molecular
Visualization (RasMol) / U Mass
|| Molecular Weight Calculator:
i. Molecular Weight Calculator / ChemicaLogic
|| COMPUTER SIMULATIONS:
i. Molecular Simulation Course: Applets, etc. / U Baffalo
ii. Molecular Dynamics Simulator Packages:
1.
Moldy;
2.NAMD;
3.Gromacs;
4.Rosetta
Commons
iv.
Monte Carlo Methods & Random Numbers / scratchapixel.com
|| VISUALIZATION OF NANOSTRUCTURES / nanotitan.com
|| 3D nanodevice simulator / nextnano
|| program package for statistical thermodynamics computations / OpenThermo
|| Radial Distribution (Pair
Correlation) Function Calculation / Emory U
|| Phase Behavior (Bubble
Point,
Flash, Differential Liberation, Isothermal Flash Liberation) Prediction of
Complex Petroleum Fluids / GAM
|| ProTherm: Thermodynamic Database for Proteins and Mutants / BioInfo
||
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.
Modeling Software / Honeywell
ii.Most popular software
|| Quantum Mechanics: i. Quantum Computing
Simulator / Buffalo U;
ii. Gaussian / Gaussian,
Inc.;
iii. Visualization of Quantum Mechanics
||Silicate Liquids / Magma Thermodynamic Properties
Software Links / minsocam.org
||
Species Data by Chemical Formula / NIST
|| Speed of Sound Calculator:
i. Engineering ToolBox ;
ii. sengpielaudio.com;
iii.NASA
|| Steam / Water property Calculator:
i.
Steam Tables Online / Megawatsoft;
ii.
Individual Steam Properties / DOE
iii.
Superheated Steam Table / TLV
||
Thermodynamic Diagrams/ Quest Cons.
|| Thermodynamic
Properties Calculations / NASA
|| Thermophysical Properties of Fluids: i.NIST;
ii.FluidProp/TU.Delft
|| Virial coefficients calculation:
i.
2nd Virial Coeff./ chem.libretexts.org
ii. 3rd Virial Coeff./ NIH
Organizations Involved with Data Compilation and
Property Calculation
||
CODATA
|| ICSTI
|| ICSU
||
IUPAC
|| NIST
|| STN
Bibliography:
||
Chemical and Physical Properties bibliographies / citethisforme.com
||
- Classical, Quantum & Statistical
Mechanics & Thermodynamics / GAM
|| Finding chemical and physical data in Web and printed sources: Databases/ UIC;
We welcome suggestion of a
link or reporting a broken link . Disclaimer: We are not responsible for accuracy of the links
provided on this page.
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