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1

Further uses of the heat of oxidation in chemical hazard assessment

Laurence G. Britton, David J. Frurip

Journal:

Process Safety Progress

Year:

2003

Language:

english

File:

PDF, 1.91 MB

english, 2003

2

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Computational Methods for Calculating Accurate Enthalpies of Formation, Ionization Potentials, and Electron Affinities

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 1.82 MB

english, 1998

3

Prediction of thermal hazards of chemical reactions

Theodor Grewer, David J Frurip, B Keith Harrison

Journal:

Journal of Loss Prevention in the Process Industries

Year:

1999

Language:

english

File:

PDF, 284 KB

english, 1999

4

Reactive chemicals emergency response and post-event calorimetric testing

David Frurip, Koos Bakkum, Harold Johnstone, Amy Tesolin-Gee, Brian Vallieu, Klaas Van Gelder

Journal:

Process Safety Progress

Year:

2010

Language:

english

File:

PDF, 421 KB

english, 2010

5

Selection of the Proper Calorimetric Test Strategy in Reactive Chemicals Hazard Evaluation

Frurip, David J.

Journal:

Organic Process Research & Development

Year:

2008

Language:

english

File:

PDF, 227 KB

english, 2008

6

The role of ASTM E27 methods in hazard assessment part II: Flammability and ignitability

Laurence G. Britton, Kenneth L. Cashdollar, William Fenlon, David Frurip, John Going, B. Keith Harrison, Jeff Niemeier, Erdem A. Ural

Journal:

Process Safety Progress

Year:

2005

Language:

english

File:

PDF, 210 KB

english, 2005

7

Effective use of differential scanning calorimetry in reactive chemicals hazard evaluation

David J. Frurip, Tim Elwell

Journal:

Process Safety Progress

Year:

2007

Language:

english

File:

PDF, 175 KB

english, 2007

8

The First Industrial Fluid Properties Simulation Challenge

Fiona Case, Anne Chaka, Daniel G. Friend, David Frurip, Joseph Golab, Russell Johnson, Jonathan Moore, Raymond D. Mountain, James Olson, Martin Schiller, et al. et al.

Journal:

Year:

2004

File:

PDF, 51 KB

2004

9

Establishing benchmarks for the Second Industrial Fluids Simulation Challenge

Daniel G. Friend, David J. Frurip, Eric W. Lemmon, Richard E. Morrison, James D. Olson, Loren C. Wilson

Journal:

Fluid Phase Equilibria

Year:

2005

Language:

english

File:

PDF, 753 KB

english, 2005

10

Establishing benchmarks for the first industrial fluids simulation challenge

Daniel G. Friend, David J. Frurip, Joseph W. Magee, James D. Olson

Journal:

Fluid Phase Equilibria

Year:

2004

Language:

english

File:

PDF, 59 KB

english, 2004

11

The role of ASTM E27 methods in hazard assessment: Part I. Thermal stability, compatibility, and energy release estimation methods

David Frurip, Larry Britton, William Fenlon, John Going, B. Keith Harrison, Jeff Niemeier, Erdem A. Ural

Journal:

Process Safety Progress

Year:

2004

Language:

english

File:

PDF, 501 KB

english, 2004

12

Vapor suppression of chemicals using foams

Norman E. Scheffler, L. Shayne Green, David J. Frurip

Journal:

Process Safety Progress

Year:

1993

Language:

english

File:

PDF, 712 KB

english, 1993

13

A new release of the ASTM CHETAH program for hazard evaluation: Versions for mainframe and personal computer

David J. Frurip, Eli Freedman, George R. Hertel

Journal:

Process Safety Progress

Year:

1989

Language:

english

File:

PDF, 491 KB

english, 1989

14

Using the ASTM CHETAH program in chemical process hazard evaluation

David J. Frurip

Journal:

Process Safety Progress

Year:

1992

Language:

english

File:

PDF, 512 KB

english, 1992

15

The second industrial fluid properties simulation challenge

Fiona Case, Anne Chaka, Daniel G. Friend, David Frurip, Joseph Golab, Peter Gordon, Russell Johnson, Petr Kolar, Jonathan Moore, Raymond D. Mountain, James Olson, Rick Ross, Martin Schiller

Journal:

Fluid Phase Equilibria

Year:

2005

Language:

english

File:

PDF, 972 KB

english, 2005

16

The third industrial fluid properties simulation challenge

Fiona H. Case, John Brennan, Anne Chaka, Kerwin D. Dobbs, Daniel G. Friend, David Frurip, Peter A. Gordon, Jonathan Moore, Raymond D. Mountain, James Olson, Richard B. Ross, Martin Schiller, Vincent K

Journal:

Fluid Phase Equilibria

Year:

2007

Language:

english

File:

PDF, 1.34 MB

english, 2007

17

The first industrial fluid properties simulation challenge

Fiona Case, Anne Chaka, Daniel G Friend, David Frurip, Joseph Golab, Russell Johnson, Jonathan Moore, Raymond D Mountain, James Olson, Martin Schiller, Joey Storer

Journal:

Fluid Phase Equilibria

Year:

2004

Language:

english

File:

PDF, 370 KB

english, 2004

18

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Ab Initio Calculations for Kinetic Modeling of Halocarbons

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 1.63 MB

english, 1998

19

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Appendix B

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 1.49 MB

english, 1998

20

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Periodic Trends in Bond Energies: A Density Functional Study

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 1.63 MB

english, 1998

21

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Computational Thermochemistry and Transition States

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 1.84 MB

english, 1998

22

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Appendix D

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 1.33 MB

english, 1998

23

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Practical Chemistry Modeling Applied to Process Design Studies

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 1.48 MB

english, 1998

24

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Calibration Study of Atomization Energies of Small Polyatomics

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 2.63 MB

english, 1998

25

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Current Status of Group Additivity

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 2.19 MB

english, 1998

26

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Thermochemistry from Semiempirical Molecular Orbital Theory

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 1.76 MB

english, 1998

27

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Electrostatic-Covalent Model Parameters for Molecular Modeling

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 1.27 MB

english, 1998

28

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Estimating Phase-Change Enthalpies and Entropies

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 2.89 MB

english, 1998

29

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Appendix C

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 1.99 MB

english, 1998

30

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Estimation of Enthalpies of Formation of Organic Compounds at Infinite Dilution in Water at 298.15 K

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 1.44 MB

english, 1998

31

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Use of Density Functional Methods To Compute Heats of Reactions

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 1003 KB

english, 1998

32

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Appendix A

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 1.86 MB

english, 1998

33

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Modeling Free Energies of Solvation and Transfer

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 1.43 MB

english, 1998

34

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Implementation and Application of Computational Thermochemistry to Industrial Process Design at the Dow Chemical Company

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 1.97 MB

english, 1998

35

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Complete Basis-Set Thermochemistry and Kinetics

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 2.42 MB

english, 1998

36

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Calculating Bond Strengths for Transition-Metal Complexes

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 1.41 MB

english, 1998

37

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Bond-Additivity Correction of Ab Initio Computations for Accurate Prediction of Thermochemistry

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 1.03 MB

english, 1998

38

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Estimation of the Enthalpies of Formation of Organic Componds in the Solid Phase

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 965 KB

english, 1998

39

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Computational Thermochemistry

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 1.90 MB

english, 1998

40

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Subject Index

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 1.32 MB

english, 1998

41

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Preface

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 187 KB

english, 1998

42

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Computational Thermochemistry, Copyright, Advisory Board, Foreword

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 238 KB

english, 1998

43

[ACS Symposium Series] Computational Thermochemistry Volume 677 (Prediction and Estimation of Molecular Thermodynamics) || Molecular Mechanics in Computational Thermochemistry

Irikura, Karl K., Frurip, David J.

Year:

1998

Language:

english

File:

PDF, 2.22 MB

english, 1998