Oxidation of phenolics in supercritical water. Quarterly technical progress report, March 1, 1995--May 31, 1995

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Our work during this quarter has focused on gaining experience with computational quantum chemistry programs and on improving the statistical analysis of our existing data. This emphasis on computing and analysis was forced upon us when the HPLC system that we rely on for reaction product analysis ceased to function properly. Lacking an HPLC forced us to postpone experimental work. We used MOPAC for the computational quantum chemistry work and our statistical analysis employed SimuSolv, which is different from the software package we had been using. SimuSolv offered advantages in that it could weight the experimental data to account for ... continued below

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4 p.

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Savage, P.E. December 1, 1995.

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Description

Our work during this quarter has focused on gaining experience with computational quantum chemistry programs and on improving the statistical analysis of our existing data. This emphasis on computing and analysis was forced upon us when the HPLC system that we rely on for reaction product analysis ceased to function properly. Lacking an HPLC forced us to postpone experimental work. We used MOPAC for the computational quantum chemistry work and our statistical analysis employed SimuSolv, which is different from the software package we had been using. SimuSolv offered advantages in that it could weight the experimental data to account for the error in each point and it provided the complete variance-covariance matrix, which is required to estimate the uncertainty in the parameter estimates.

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4 p.

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OSTI as DE96002890

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  • Other Information: PBD: 1995

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  • Other: DE96002890
  • Report No.: DOE/PC/92536--T11
  • Grant Number: FG22-92PC92536
  • DOI: 10.2172/137347 | External Link
  • Office of Scientific & Technical Information Report Number: 137347
  • Archival Resource Key: ark:/67531/metadc623394

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  • December 1, 1995

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  • June 16, 2015, 7:43 a.m.

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  • Dec. 3, 2015, 5:16 p.m.

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Savage, P.E. Oxidation of phenolics in supercritical water. Quarterly technical progress report, March 1, 1995--May 31, 1995, report, December 1, 1995; United States. (digital.library.unt.edu/ark:/67531/metadc623394/: accessed October 15, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.