Adding Hydrogen Data to the ChemKED-database folder

[MariaPoliti]

The file name is usually based on:
~ Authors' name
~ Year of publication
~ Type of apparatus: ST or RCM
~ Mixture number (based on the one listed in the journal article)
~ Equivalence ratio

The files contain uncertainties for composition or data and pressure rises [ if mentioned in the journal article].
If the composition data did not add up to exactly 1.00, the inert fraction was varied for validation purposes [Usual variation did not exceed +/- 0.01].
Files converted from ReSpecTh files database present the reference to the original .xml file in the detail field.

Hydrogen References.xlsx

[kyleniemeyer]

For ease of reference/comparison, here is the list of references included in this PR:

• J. Herzler, C. Naumann, Proc. Combust. Inst. 32 (2009) 213-220
• G.A. Pang, D.F. Davidson, R.K. Hanson, Proc. Comb. Inst. 32 (2009) 181-188
• L. Pan, E. Hu, J. Zhang, Z. Zhang, Z. Huang, Combust Flame 161 (2014) 735-747
• E. Ninnemann, B. Koroglu, O. Pryor, S. Barak, L. Nash, Z. Loparo, J. Sosa, K. Ahmed, S. Vasu, Combust Flame 187 (2018) 11-21
• Y. Zhang, Z. Huang, L. Wei, S. Niu, Chinese Sci Bull. 56 (2011) 2853-2861
• J. Shao, D. F. Davidson, R. K. Hanson, Fuel 225 (2018) 370-380
• A.D. Snyder, G.B. Skinner, J. Robertson, D.L. Zanders, Monsanto Research Corp Dayton OH [AD0470239] (1995) 1-62
• E.L. Petersen, D.F. Davidson, M. Rohrig, R.K. Hanson, Joint Propulsion Conference and Exhibit 31 (1995)
• O. Mathieu, A. Levacque, E.L. Petersen, Proc. Comb. Inst. 34 (2013) 633-640
• A. Keromnes, W.K. Metcalfe, K.A. Heufer, N. Donohoe, A.K. Das, C-J. Sung, J. Herzler, C. Naumann, P. - Griebel, O. Mathieu, M.C. Krejci, E.L. Petersen, W.J. Pitz, H.J.Curran, Combust Flame 160 (2013) 995-1011
• S.S. Vasu, D.F. Davidson, R.K. Hanson, Energy and Fuels 25 (2011) 990-996
• G. Mittal, C-J. Sung, R.A. Yetter, Int. J. Chem. Kinet 38 (2006) 516-529
• R.K. Cheng, A.K. Oppenheim, Combust Flame 58 (1984) 125-139
• L. Dinh Thi, Y. Zhang, Z. Huang, Int. J. Hydrogen Energy, 39 (2014) 6034-6043
• E. Hu, L. Pan, Z. Gao, X. Lu, X. Meng, Z. Huang,  Int. J. Hydrogen Energy, 41 (2016) 13261-13280
• L. Pan, Y. Zhang, J. Zhang, Z. Tian, Z. Huang, Int. J. Hydrogen Energy 29 (2014) 6024-6033
• G.B. Skinner, G.H.Ringrose, J. Chem. Phys. 42 (1965) 2190-2192
• N. Chaumeix, S. Pichon, F. Lafosse, C.-E. Paillard, Int. J. Hydrogen Energy 32 (2007) 2216-2226
• Y. Zhang, X. Jiang, L. Wei, J. Zhang, C. Tang, Z. Huang, Int. J. Hydrogen Energy 37 (2012) 19168-19176
• C.Naumann, H. Curran, I. Mantzaras, J. Herzler, A. Keromnes, P. Griebel, H2-IGCC project-Deliverable 1.1.3 (2011)
• A. Cohen, J. Larsen, Report BRL 1386 (1967)
• G.L. Schott, J.L. Kinsey, J. Chem. Phys. 29 (1958) 1177-1182
• M.W. Slack, Combust Flame 28 (1977) 241-249
• S. Fujimoto, M. Suzuki, "Memoirs of the Defense Academy" VII.3 (1967) 1037-1046
• E.L. Petersen, D.M. Kalitan, M.J.A. Rickard, Symposium (International) on Combustion 39 (2003) 20-23
• K.A. Bhaskaran, M.C. Gupta, Th. Just, Combust Flame 21 (1973) 45-48
• B.L. Wang, H. Olivier, H. Gronig, Combust Flame 133 (2003) 93-106
• T. Asaba, W.C. Jr. Gardiner, R.F. Stubberman, Proc. Comb. Inst. 10 (1965) 295-302
• A.K. Das, C-J. Sung, Y. Zhang, G. Mittla, Int. J. Hydrogen Energy 37 (2012) 6901-6911

[kyleniemeyer]

@bryanwweber what do you think about the directory structure for these files? I realize it doesn't matter that much, but as the database grows and we get (lots) more files for particular fuels, it would be good to establish a preferred convention.

[bryanwweber]

Please make sure to add newlines to the end of each file

[MariaPoliti]

Got it! I will modify the files to include the endline.

[bryanwweber]

@kyleniemeyer I think a top-level fuel directory is fine, below that as you say it doesn't matter. I would just avoid characters such as = and (space) that have to be escaped in bash.

Also, @MariaPoliti, the convention for YAML files is to have 2 spaces of indentation (in addition to my comment about newlines). I'll try to make some time in the next two weeks to review the content of the files. Thanks!

[kyleniemeyer]

@bryanwweber so you think just having all the YAML files in a top-level directory is best? I am fine with that too.

[bryanwweber]

@kyleniemeyer Yeah, I think just having a flat structure below the top level directories for fuels is probably the easiest. We really really need to resolve #9 if people are going to actually start using this database.

[kyleniemeyer]

@bryanwweber got it.

@MariaPoliti in addition to the other edits, can you remove the sub-folders and just have all of the files in the hydrogen directory?

[MariaPoliti]

I will make these changes and upload a new version of the 'hydrogen' folder in the next few day

[kyleniemeyer]

Hi @MariaPoliti, it looks like you deleted the old files (in all the folders), but did not add them in their new location via (git add)—your most recent commit does not show anything added, just deleted.

(Also, for future reference you can just use git mv ... to move files.)

[MariaPoliti]

@kyleniemeyer thank you for letting me know. I will try to add the files again in the new folder. Sorry for the inconvenience!