The Influence of Alcohols in Driving the Morphology of Magnesium Chloride Nanocrystals | Zendy

Thushara K. S. | Zendy; D'Amore Maddalena | Zendy; Piovano Alessandro | Zendy; Bordiga Silvia | Zendy; Groppo Elena | Zendy

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The Influence of Alcohols in Driving the Morphology of Magnesium Chloride Nanocrystals

Author(s) -

Thushara K. S.,

D'Amore Maddalena,

Piovano Alessandro,

Bordiga Silvia,

Groppo Elena

Publication year - 2017

Publication title -

chemcatchem

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.497

H-Index - 106

eISSN - 1867-3899

pISSN - 1867-3880

DOI - 10.1002/cctc.201700101

Subject(s) - gibbs free energy , magnesium , nanocrystal , methanol , catalysis , chemistry , chemical engineering , surface energy , crystal structure , ethanol , inorganic chemistry , morphology (biology) , chloride , crystallography , materials science , organic chemistry , nanotechnology , thermodynamics , physics , genetics , biology , engineering

MgCl 2 nanocrystals prepared in the presence of methanol and ethanol were characterized by complementing surface‐science tools with a systematic quantum‐mechanical investigation of the stability order (in terms of Gibbs free energy) of different MgCl 2 surfaces in the presence of the two alcohols. Both alcohols drastically change the overall stability and the stability order of the exposed surfaces, mainly as a consequence of the entropic contribution to the Gibbs free energy, hence inhibiting or promoting crystal growth in certain directions. The environment‐dependent occurrence of the MgCl 2 surfaces may influence the structure and properties of the supported Ti x Cl 4− x sites in the MgCl 2 /TiCl 4 precatalyst, which has important implications in the design of morphologically controlled Ziegler–Natta catalysts.

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