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National Nanofabrication Users Network
ECE 220A


NIST Physical Constants
CODATA Key Values For Thermodynamics
MatWeb Materials Database
Chemistry Databases
Control Engineering Online

DATA SITES
Acoustic Material Property Tables / SEA
Atomic & Molecular Data in the NASA ADC Archives / CFA-Harvard
Azeotropes Data Sources:i.UFSC; ii.Edinburgh 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.
Elemental Phase Diagrams of Many Binary and Some Ternary Mixtures / Georgia Tech
Engineering Chemistry Database/CUNY
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: i. U Cincinnati ; ii. Max Planck Inst. ; iii. George Mason U
Ionization Energies, Electron Affinities and Electronegativies of the Elements / Tulane U
Ionization Potentials / Electron Affinities / Munich Tech U
Key values for standard enthalpy of formation and entropy at 298.15K / CODATA
MSDS Online (Material Safety Data Sheets) / Cornell U
MTDATA - Thermodynamics and Phase Equilibria Software from the National Physical Laboratory / NPL
Mineralogy Database / webmineral.com
Molar Thermodynamic Properties/UCDSB: 1. Infinitely Dilute Aqueous Solutes; 2. Pure Substances
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. UIC ii. UBC; iii. MIT ; iv. RXN Comm.; v. Sheffield U ; vi. Monachos
Petroleum Crude Oils Properties Data Base (412 Crudes) / Environment Canada
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 200 linear macromolecules and small molecules / ATHAS
Refraction indices of some compounds / Conny
RNA: Folding Free Energy & Enthalpy Tables / WUStL
Solubility Parameters on the Internet / Murdoch U
Solvents Database / NCMS
Sugar Engineer's Library -- Material Properties / sugartech.co
Tables of Chemical Data / Dongguk U
Temperatures of Some Physical Phenomena / U Sydney
Thermochemical databases (e.g. SGTE, geochemical) and application-specific data-files (both searchable) / GTT-Technologies
Thermodynamic Properties of Minerals Databases / T.H. Brown
ThermoDex: An Index of Selected Thermodynamic Data Handbooks / U Texas
Third Millennium Thermodynamic Database for Combustion and Air-Pollution Use /Technion
Validating Your Binary VLE Data / fortunecity.com

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; 3.Gaseq; 4.Infra; 5.Colorado State; 6.NASA GRC
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. BBD / U Minnesota; ii. ChemFinder / CambridgeSoft; iii. IUMSC / Indiana U; iv. ECTOC / Imperial College; v. Models in .pdf / Okanagan U College vi. PBD / Brookhaven National Lab
Conversion of Units:
i. Scientific & Engineering (All properties): 1. FU Berlin; 2.Process Assoc.; 3.U Exeter
ii. Engineering: 1. Legacy Systems; 2.convert-me.com; 3.AVS; 4.U Conn; 5.Monachos
iii.Density / U of Exeter
iv.Temperatures / UC Berkeley

Critical Properties and Acentric Factor Calculator (Group Contributions) / Japan Ministry of Trade & Info.
Equation of State:
1. On-Line Calculator: i.van der Waals EOS / U Koeln; ii.Ideal Gas Law, SRK. Also Some Vapor Pressure Data and Calculations and some Binary Low Pressure VLE Calculations / s.ohe.com; iii.Non-Ideal Gas Volume/SVCE
3. Download: i. ALLPROPS, ICMPROPS, PSYPROPS/U Idaho; ii.vdW,Rk, SRK, PR and GPSA/ozemail.com

ElectroChemical DataBase-Enthalpies of transfert / EPFL
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 Combustion of: i. Fuel Gas; ii. Fuel Oil / Process Assoc.
Mathematics:
i.Scientific Calculator: 1.PhysLink; 2.Rolf's; 3.calculator.com; 4.Pezzullo's; 5.CoHort; 6.Downloadable by JRPN; 7.Vedic
ii..Subroutines for solving cubic, quartic and quintic equations / U Koeln

Mathtrek Chemical Equilibrium Software Systems / W. Smith
MINEQL+: A Chemical Equilibrium Modeling System
Molecular Weight Calculator: i. ChemicaLogic; ii. D. Mazzoni ; iii. SVCE (Online; Download)
COMPUTER SIMULATIONS:
i.Computer Simulation of Liquids Programs to Download / U Bristol
ii. Molecular Dynamics Simulation Applets: U Baffalo
iii. Molecular Dynamics Simulators Download: 1.Wartnaby Demon Co; 2.U Chille; 3.Oxford U; 4.UIUC; 5.U Groningen;
iv.MOLECULAR DYNAMICS, MONTE CARLO, LATTICE STATICS AND LATTICE DYNAMICS LIBRARY OF SOFTWARE / CLRC
v.Monte Carlo Simulation of Melting - 2D Live / Applied Theory

OMDI Pure Component Tools/Commands, functions, and physical property information for six-hundred-and-eighteen molecules
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 / RIKEN
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.Moist Air Properties by WinMetric; i2.by NTNU; i3.PsyCalc by Linric; i4.U Conn
ii.Psychrometric Chart for Windows: ii1.by Akton Assoc; ii2.by KW Energy Eng

Pure Mineral Solids Thermodynamic Properties / Washington U
Refrigerants: i.Software Pros ii.U Idaho iii.HVAC2000 iv.HECO
Second virial coefficient calculation: i. U Maryland; ii. U Koeln
Silicate Liquids Thermodynamic Properties / Washington U
Species Data by Chemical Formula / NIST
Speed of Sound Calculator:
i. Humid Air / EnviroMeasure;
ii. Ideal Gas / Process Assoc.

Steam / Water property calculations:
1.Online: i. SteamTab / ChemicaLogic; ii. Water Thermo. Prop's / Washington U; iii. Water & Steam Thermo. Prop's/A.S. Krivitsky; iv. Saturated Steam Tables:Version A; Version B / U Conn
2.Download: Thermochemical Prop's / Euromatic

Thermo-Calc: For Thermodynamic Calculations of Inorganic Systems / RIT, Sweden
ThermoChemical Calculator / Caltech
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 Fluid Systems / NIST
Organic Compounds Properties / U Cincinnati
TODIS - Optimal Thermodynamic Calculation of Distillation Column / Maikov
TPX: Thermodynamic Properties for Excel / Caltech
Transport Properties of Gaseous Mixtures / Colorado State
VLECalc to Download / Bill Kovats

ORGANIZATIONS INVOLVED WITH DATA COMPILATION AND PROPERTY CALCULATION
CCCBDB/NIST
CODATA
DIPPR / BYU
ELDATA - Integrated Electronic Chemical Databases / FIZ Karlsruhe
Hydrocarbons, Petroleum and Natural Gas Containing Heavy Organics (ASPHRAC) / UIC/TRL
IUPAC-1
Journal of Petroleum Science & Engineering / Elsevier Science
Thermodynamics Data Center / Polish Academy of Sciences
Thermodynamics and Thermochemistry Data Program / NIST
The WinSim Inc.


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