## Abstract Investigation into volumetric and energetic properties of several atomistic models mimicking carbon dioxide geometry and quadrupole momentum covered the liquidβvapor coexistence curve. Thermodynamic integration over a polynomial and an exponentialβpolynomial path was used to calculate f
Thermodynamic properties of the natural zeolite gmelinite at low temperatures
β Scribed by I.E. Paukov; ; I.A. Belitsky; ; Y.A. Kovalevskaya
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 133 KB
- Volume
- 33
- Category
- Article
- ISSN
- 0021-9614
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β¦ Synopsis
The heat capacity of the natural zeolite gmelinite Na 1.39 K 0.01 Ca 0.21 Fe 0.01 Al 1.83 Si 4.17 O 12 β’ 5.87H 2 O was investigated from (5.8 to 302.2) K. The measurements were carried out using a small calorimeter cell of internal volume of 2 cm 3 sealed with a threaded lid. To test the accuracy of the calorimetric system, the heat capacity of benzoic acid was measured from (5.6 to 312) K and compared with reliable reference data. Experimental data on the molar heat capacity C p,m of gmelinite are listed, together with the tabulated thermodynamic functions. Anomalous behavior of the C p,m function was found at T > 160 K. It is suggested that the additional contribution to the heat capacity is a result of the disordering in the (water, cations) subsystem of gmelinite.
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