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X-ray Diffraction Studies of Solid Solutions of Pentaglycerine-Neopentylglycol

  • D. Chandra (a1), C. S. Barrett (a2) and D. K. Benson (a3)

Abstract

An array of molecules that is anisotropic in the extreme has been discovered in certain thermal-energy storage materials and is reported here: neopentylglycol (NPG) and NPG-rich solid solutions with pentaglycerine (PG) have a crystal structure, stable at room temperature, that consists of bimolecular chains of molecules that are all unidirectionally aligned throughout a crystal. There are hydrogen bonds between every molecule in one chain and its neighbors in that chain, but none between molecules of one chain and any molecules of the neighboring parallel chains. Thus there are strong intermolecular bonds along each chain and only weaker bonds between the chains. The structure has been determined by using modern single crystal techniques with 529 independent reflections from a crystal of NPG (C5H12O2). The structure is monoclinic with space group P21/c - C2h 5. This anisotropic structure transforms to a cubic structure at higher temperatures.

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1. Benson, D.K., Webb, J.D., Burrows, R.W., McFadden, J.D. and Christensen, C., SERI Report, Task Nos. 1275. 00 and 1464. 00WPA304 (available through NTIS. SERI/TR255-1828, Category 62e) March (1985).
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6. Frank, K.T., Krzemicki, K. and Voellenkle, H., Phase transition in Neopentylglycol, Chem-Zig. 97(4):16, (1973).
7. Chandra, D., Crystal Structure Changes in the Solid-Solutions of Pentaglycerine-Neopentylglycol, Final Report to Solar Energy Research Institute, Midwest Research Institute, Golden, CO, Contract No: CA-5-00491-01, Sept. 10, (1986).
8. Font, J., Muntasell, J., Navarro, J. and Tarmaitt, J.L., Time and Temperature Dependence of the Exchanged Energy on Solid-Solid Transitions of Pentaglycerine/Neopentylglycol Mixtures, Solar Energy Materials, Elsevier Publishers BV. 15:403-412 (1987),
9. Chandra, D. and Barrett, C.S., Effect of Interstitial Dopants on the Thermophysical Properties of Solid State Phase Change Materials. Draft of Final Report DOE Contract No. DE-AC03-84SF-12205, Jan. 30 (1986).
10. Chandra, D., Barrett, C.S., and Benson, D.K., Adjustment of Solid-Solid Phase Transition Temperatures of Polyalcohols by the use of Dopants, “Advances in X-Ray Analysis,” ed. Barrett, C.S., Cohen, J.B., Faber, J.T., Leyden, D.E., Russ, J.C. and Predecki, P.K., Plenum Publishing. 29:305-313 (1986).

X-ray Diffraction Studies of Solid Solutions of Pentaglycerine-Neopentylglycol

  • D. Chandra (a1), C. S. Barrett (a2) and D. K. Benson (a3)

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