ELECTROKINETICS. XX. INTERFACIAL ENERGY AND THE MOLECULAR STRUCTURE OF ORGANIC COMPOUNDS. VI: The Electric Moment of Aliphatic Alcohols, Acids, and Esters at Cellulose and Aluminum Oxide Interfaces1

The thermal decomposition of organic peroxides are widely used as coagulant for organic compounds, however, its thermal hazardous characteristics have already caused serious accidents in chemical industries, which limited its application in much more strict conditions. Organic peroxides of C18H10O11 and C18H18O7 are two new candidates fitted for industrial explosive. However, as we best known there is little reports available on the geometry structure in the past decades. In this work, by means of quantum chemistry calculation, the relation of safety with molecular structure of C18H10O11 and C18H18O7 are discussed. The molecules with more activity O and the activity part more dispersedly exhibit higher stable, and the configuration has good safety. All the energy of molecule b is higher than that of molecule a. The stability of different configurations are 6a>7a>8a>9a>5a>1a>4a>3a=2a and 1b>7b>5b>6b>4b>2b>3b>8b, respectively, suggesting the structures of 6a,3a,2a,1b,8b exhibit high safety.

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Characterization and mass load estimates of organic compounds in agricultural irrigation runoff

Water Science & Technology ◽

10.2166/wst.2002.0215 ◽

2002 ◽

Vol 45 (9) ◽

pp. 103-110 ◽

Cited By ~ 6

Author(s):

J.A. Pedersen ◽

M.A. Yeager ◽

I.H. Suffet

Keyword(s):

Fatty Acids ◽

Organic Compounds ◽

Aqueous Phase ◽

Surface Runoff ◽

Aliphatic Alcohols ◽

Fatty Acid Esters ◽

Treated Wastewater ◽

Gas Chromatography Mass Spectrometry ◽

Agricultural Fields ◽

Mass Load

Investigations of agricultural chemicals in surface runoff typically target nutrients or specific pesticides; however, numerous other organic compounds are regularly applied to agricultural fields in pesticide formulations, irrigation water, soil amendments and fertilizers. Many of these compounds have toxicological significance. We conducted a broad spectrum analysis of surface runoff from individual irrigated agricultural fields in coastal southern California to characterize organic compounds amenable to analysis by gas chromatography-mass spectrometry and to estimate the mass flux of selected chemicals. Aqueous phase extracts contained several pesticides, as well as personal care product ingredients and pharmaceutically active compounds apparently derived from treated wastewater used for irrigation. Several compounds potentially associated with pesticide adjuvants were also present in aqueous phase extracts. Dissolved NOM constituents in water phase extracts included n-fatty acids, aliphatic alcohols and plant terpenoids. Tentatively identified compounds sorbed to suspended particles included pesticides, a fecal sterol, aliphatic and alicyclic hydrocarbons, aliphatic alcohols, aldehydes, and C14 and C16n-fatty acids and fatty acid esters. Bicyclic and polycyclic aromatic hydrocarbons were identified in both aqueous and suspended particle phases. Constituent concentrations, including total suspended solids (TSS), varied over the course of the sampled events by up to an order of magnitude, and typically were not correlated with flow. Variation in sorbed organic compound concentrations often did not parallel those for TSS concentration. Mass load estimates were strongly influenced by the choice of sampling interval.

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