The {1 0 4} cleavage rhombohedron of calcite: theoretical equilibrium properties
The character of the most important crystallographic forms of calcite crystal is quantitatively reviewed according to the Hartman and Perdok theory. Specific surface and edge energies of the cleavage {1 0 4} rhombohedron are calculated in the crystal–vacuum system by means of a semi-empirical potent...
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| Veröffentlicht in: | Materials chemistry and physics 2000-10, Vol.66 (2), p.159-163 |
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| container_title | Materials chemistry and physics |
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| creator | Aquilano, Dino Calleri, Mariano Natoli, Enrico Rubbo, Marco Sgualdino, Giulio |
| description | The character of the most important crystallographic forms of calcite crystal is quantitatively reviewed according to the Hartman and Perdok theory. Specific surface and edge energies of the cleavage {1
0
4} rhombohedron are calculated in the crystal–vacuum system by means of a semi-empirical potential function and following Stranski’s definition of the total surface energy of a finite crystal. A comparison is made between the calculated value and the experimental quantities entering the Dupré formula (specific crystal–solution interface energy, specific vapour–solution surface energy): the crystal–vacuum specific surface energy is proved to be quite reasonable, and for the first time, the specific crystal–solution adhesion energy for the {1
0
4} form is estimated. |
| doi_str_mv | 10.1016/S0254-0584(00)00331-X |
| format | Article |
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0
4} rhombohedron are calculated in the crystal–vacuum system by means of a semi-empirical potential function and following Stranski’s definition of the total surface energy of a finite crystal. A comparison is made between the calculated value and the experimental quantities entering the Dupré formula (specific crystal–solution interface energy, specific vapour–solution surface energy): the crystal–vacuum specific surface energy is proved to be quite reasonable, and for the first time, the specific crystal–solution adhesion energy for the {1
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0
4} rhombohedron are calculated in the crystal–vacuum system by means of a semi-empirical potential function and following Stranski’s definition of the total surface energy of a finite crystal. A comparison is made between the calculated value and the experimental quantities entering the Dupré formula (specific crystal–solution interface energy, specific vapour–solution surface energy): the crystal–vacuum specific surface energy is proved to be quite reasonable, and for the first time, the specific crystal–solution adhesion energy for the {1
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4} form is estimated.</description><subject>Adhesion energy</subject><subject>Condensed matter: structure, mechanical and thermal properties</subject><subject>Exact sciences and technology</subject><subject>Inorganic compounds</subject><subject>Physics</subject><subject>Solvent adsorption</subject><subject>Specific surface and edge energy</subject><subject>Structure of solids and liquids; crystallography</subject><subject>Structure of specific crystalline solids</subject><issn>0254-0584</issn><issn>1879-3312</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2000</creationdate><recordtype>article</recordtype><recordid>eNqFkE9LAzEQxYMoWKsfQchBRA-rk90k2_UiUvwHBQUr9BbS7MSNbDdtsi2I-N3dtqJHT8MM783j_Qg5ZnDBgMnLF0gFT0AM-BnAOUCWsWSyQ3pskBdJt6S7pPcr2ScHMb4DsJyxrEeexxXST0aB8i9qatQr_YY0VH429RWWwTfUW2p0bVyLV7St0AdsXXeguFi62k2DW87oPPg5htZhPCR7VtcRj35mn7ze3Y6HD8no6f5xeDNKTCbzNmG8ZHle2EwMrDVQgBS5NAx1mklZokyRAYqCgzAGmclR8pJrxLIUBVqwWZ-cbv920YslxlbNXDRY17pBv4wqzVMmeceiT8RWaIKPMaBV8-BmOnwoBmrNT234qTUcBaA2_NSk8538BOjY1bVBN8bFP7MALuX6_fVWhl3ZlcOgonHYGCxdQNOq0rt_gr4BczOEjw</recordid><startdate>20001016</startdate><enddate>20001016</enddate><creator>Aquilano, Dino</creator><creator>Calleri, Mariano</creator><creator>Natoli, Enrico</creator><creator>Rubbo, Marco</creator><creator>Sgualdino, Giulio</creator><general>Elsevier B.V</general><general>Elsevier</general><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7U5</scope><scope>8FD</scope><scope>L7M</scope></search><sort><creationdate>20001016</creationdate><title>The {1 0 4} cleavage rhombohedron of calcite: theoretical equilibrium properties</title><author>Aquilano, Dino ; Calleri, Mariano ; Natoli, Enrico ; Rubbo, Marco ; Sgualdino, Giulio</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c367t-14d1779f358ffc0906576c1ea2366de62e10e59405cce1c7e64d4aeedd59ef0f3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2000</creationdate><topic>Adhesion energy</topic><topic>Condensed matter: structure, mechanical and thermal properties</topic><topic>Exact sciences and technology</topic><topic>Inorganic compounds</topic><topic>Physics</topic><topic>Solvent adsorption</topic><topic>Specific surface and edge energy</topic><topic>Structure of solids and liquids; crystallography</topic><topic>Structure of specific crystalline solids</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Aquilano, Dino</creatorcontrib><creatorcontrib>Calleri, Mariano</creatorcontrib><creatorcontrib>Natoli, Enrico</creatorcontrib><creatorcontrib>Rubbo, Marco</creatorcontrib><creatorcontrib>Sgualdino, Giulio</creatorcontrib><collection>Pascal-Francis</collection><collection>CrossRef</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>Technology Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Materials chemistry and physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Aquilano, Dino</au><au>Calleri, Mariano</au><au>Natoli, Enrico</au><au>Rubbo, Marco</au><au>Sgualdino, Giulio</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>The {1 0 4} cleavage rhombohedron of calcite: theoretical equilibrium properties</atitle><jtitle>Materials chemistry and physics</jtitle><date>2000-10-16</date><risdate>2000</risdate><volume>66</volume><issue>2</issue><spage>159</spage><epage>163</epage><pages>159-163</pages><issn>0254-0584</issn><eissn>1879-3312</eissn><coden>MCHPDR</coden><abstract>The character of the most important crystallographic forms of calcite crystal is quantitatively reviewed according to the Hartman and Perdok theory. Specific surface and edge energies of the cleavage {1
0
4} rhombohedron are calculated in the crystal–vacuum system by means of a semi-empirical potential function and following Stranski’s definition of the total surface energy of a finite crystal. A comparison is made between the calculated value and the experimental quantities entering the Dupré formula (specific crystal–solution interface energy, specific vapour–solution surface energy): the crystal–vacuum specific surface energy is proved to be quite reasonable, and for the first time, the specific crystal–solution adhesion energy for the {1
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| subjects | Adhesion energy Condensed matter: structure, mechanical and thermal properties Exact sciences and technology Inorganic compounds Physics Solvent adsorption Specific surface and edge energy Structure of solids and liquids crystallography Structure of specific crystalline solids |
| title | The {1 0 4} cleavage rhombohedron of calcite: theoretical equilibrium properties |
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