Selected Values of Heats of Combustion and Heats of Formation of Organic Compounds Containing the Elements C, H, N, O, P, and S.

Domalski, Eugene S.

doi:10.1063/1.3253099

Cited by 196 publications

(103 citation statements)

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“…AHo2 is an empirical constant with a value of -455 _+ 15 kJ-mol 1 of 02 for the major compounds in plant metabolism (McDermitt and Loomis 1981;Loomis 1982;Erickson 1987;Williams et al 1987). Carbohydrates are at the high end of the range ( -468 kJ 9 tool-1 ; Domalski 1972;Erickson 1987) and fats and proteins are at the low end of the range (-436 kJ.mol 1; Erickson 1987). If end products of catabolism other than CO, (e.g.…”

Section: Derivation Of Equations Relating Growth and Respirationmentioning

confidence: 99%

The relation between plant growth and respiration: A thermodynamic model

Hansen

Hopkin

Rank

et al. 1994

Planta

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Abstract.A thermodynamic model describing the relation between plant growth and respiration rates is derived from mass-and enthalpy-balance equations. The specific growth rate and the substrate carbon conversion efficiency are described as functions of the metabolic heat rate, the rate of CO2 production, the mean oxidation state of the substrate carbon produced by photosynthesis, and enthalpy changes for conversion of photosynthate to biomass and CO2. The relation of this new model to previous models based only on mass-balance equations is explored. Metabolic heat rate is shown to be a useful additional measure of respiration rates in plant tissues because it leads to a more explicit description of energy relations. Preliminary data on three Zea mays (L.) cultivars are reported. The model suggests new rationales for plant selection, breeding and genetic engineering that could lead to development of plants with more desirable growth rates.

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Section: Derivation Of Equations Relating Growth and Respirationmentioning

confidence: 99%

The relation between plant growth and respiration: A thermodynamic model

Hansen

Hopkin

Rank

et al. 1994

Planta

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“…, Barin (1989), and the HSC chemisny for W&ws @SC 1994). Data for organic compounds are supplemented by Domalski (1972). Data for conventional explosives are from Dobratz and Crawford (1985).…”

Section: Reaction Energies and Adiabatic Temperaturesmentioning

confidence: 99%

Calculation of reaction energies and adiabatic temperatures for waste tank reactions

Burger¹

1993

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SummaryContinual concern has been expressed over potentially hazardous exothermic reactions that might occur in Hanford Site underground waste storage tanks. These tanks contain many different oxidizable compounds covering a wide range of concentrations. Several compounds may be in concentrations and quantities great enough to be considered a hazard in that they could undergo rapid and energetic chemical reactions with nitrate and nitrite salts that are present it heated to the initiating or critical temperature. The chemical hazards are a function of several interrelated factors, including the amount of energy (heat) produced, how fast it is produced, and the thermal absorption and heat transfer properties of the system. The reaction path(s) will determine the amount of energy produced and kinetics will determine the rate that it is produced. The tanks also contain many inorganic compounds inert to oxidation. These compounds act as diluents and can inhibit exothermic reactions because of their heat capacity and thus, in contrast to the oxidizable compounds, provide mitigation of hazardous reactions.In this report the energy that may be released when various organic and inorganic compounds react is computed as a function of the reaction-mix composition and the temperature. The enthalpy, or integrated heat capacity, of these compounds and various reaction products is presented as a function of temperature; the enthalpy of a given mixture can then be equated to the energy release from various reactions to predict the maximum temperature which may be reached. This is estimated for several different compositions. Alternatively, the amounts of various diluents required to prevent the temperature from reaching a critical value can be estimated. Reactions W i g different paths, forming different products such as N20 in place of N2 are also considered, as are reactions where an excess of caustic is present. Oxidants other than nitrate and nitrite are considered briefly.The relative available energy per unit mass of the various oxidizable compounds, or "fuels," that may be present ranges from 1 to about 25. Stoichiometric mixes with oxidant, e.g., fuel plus the required amount of sodium nitrate (NaNO,) for a complete reaction, compared on a mass basis, also show large differences. This "energy density" covers a range of 1 to about 5.A consequence of different stoichiometries for different fuels is that an excess of sodium nitrate or nitrite for one reactant may be a deficiency for another. This is significant since excess nitrate or nitrite is an excellent heat sink, especially at elevated temperatures.The efficiency of various compounds as heat sinks, i.e., their enthalpies, vary greatly. In the wastes water is the most significant material at temperatures up to slightly above 100°C. From 100°C to about 300°C the greatest effect is probably from hydrated salts, with some contribution from concentrated caustic solutions. The loss of water from these materials requires a large energy input, some 50% to 100% greater than f...

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“…Values are calculated based on the heats of combustion of mono and disaccharides and their alcohols (Domalski, 1972), 20 kJ per glycosidic linkage and the regularity in heats of formation of chemical groups. I n kJ/g (kcal/g), pentose and hexose 15.6 (3.72); dihexose 16.5 (3.95); trihexose 16.7 (4.00); tetrahexose 16.9 (4.04); pentahexose 17.0 (4.07); polyhexose 17.5 (4.18); polypentose 17.6 (4.20); polydeoxypentose 20.6 (4.93); polyhexuronic acid 13.1 (3.13); polymethyl hexuronic acid mix (35: 65) with polyhexuronic acid 15.8 (3.78).…”

Section: Unavailable Complex Carbohydratesmentioning

confidence: 99%