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The interaction of dolomite surfaces with metal impurities: a computer simulation study

Kat F. Austen, Kate Wright, Ben Slater, Julian D. Gale
2005 Physical Chemistry, Chemical Physics - PCCP  
This study investigates the behaviour of selected, morphologically important surfaces of dolomite (CaMg(CO 3 ) 2 ), using computational modelling techniques. Interatomic potential methods have been used to examine impurity substitution at cationic sites in these surfaces. Environmentally prevalent cations were studied to this end, namely Ni 21 , Co 21 , Zn 21 , Fe 21 , Mn 21 and Cd 21 , all of which are also found as end-member carbonate minerals. Solidsolution substitution was investigated and
more » ... showed that Cd and Mn will substitute from their end-member carbonate phase at either dolomite cation site. Mn is found to preferentially substitute at Mg sites, in agreement with experimental findings. For Ni 21 , Co 21 and Zn 21 , the magnitude of substitution energies is approximately equal for all surfaces, with the exception of the (10 14) surface. However, for the larger cations, a far greater disparity in substitution energies is observed. At a stepped surface, analogous substitutions were performed and it was found that substitution energies for all impurity cations were reduced, indicating that uptake is more viable during growth. The predominant surface, the (10 14), was solvated with a monolayer of water in order to investigate the influence of hydration on substitution energetics. The addition of water changes the relative preference for substitution of the different cations. Under aqueous conditions, the substitution energy is determined by three competing factors, the relative importance of which cannot be predicted without this type of computational investigation. R E S E A R C H P A P E R PCCP www.rsc.org/pccp
doi:10.1039/b510454h pmid:16474881 fatcat:asj4m3gverhhnhyzebnxsddg4q

Page 1432 of The Journal of Investigative Dermatology Vol. 121, Issue 6 [page]

2003 The Journal of Investigative Dermatology  
} res fib preferentially expressed in ] Immunol 19 49 32129 coculture with 158:393-404, 1997 izman MB, Aust ind expression of IL-3 oculturc N, Saito H -deriy is S, Stevens RI xpose Differential n KF, Kat  ...  PM, Austen KF, Stevens RI teriz les Carboxypeptidas: chara ition, and use 1 differentia- iS cellular and molecular biology of 386, 1989 Schiller HP. x pression V. mouse 32, 1994 Ghil N, Austen cretory  ... 

Page 149 of The Nation and Athenaeum Vol. 14, Issue 3 [page]

1913 The Nation and Athenaeum  
JANE AUSTEN. ,y F. waRRE CORNISH, late Fellow of King’s College, Cambridge. Crown 8vo. 2s. net.  ...  III., Critical Rit-Kats. LOUIS XVI. FURNITURE Introduction by S. de Ricci, and 500 Plates. 25s. net. LIGHTSHIPS & LIGHTHOUSES By F. A. TALBOT. With nearly 100 Plates. 6s. net. LATEST 6s. NOVELS. Mr.  ... 

Additions and Donations to the Library. 1920-1921

1921 Proceedings of the Linnean Society of London  
Kat. xxv1.) 8vo. [Pisu]. C. C. Lacaita. (Atti SOC. Tosc. Sci. hTat. xviii.) 8vo. Pisa, 1902. Arcaiigeli (Giovanni). Sopra alciine 1 nriet h del Diospyr-os I f d i (l'roc. Verb. 8~o . pis^, 1916. C.  ...  F.). Account of a Journey through the Western Thomas Alfred). The Bature-Study of Plants. I n With an Intro-8vo. London, J 920. Author. East (Edward M.) and Jones (Donald F.).  ... 
doi:10.1111/j.1095-8312.1921.tb01390.x fatcat:z52i4qh5ojdhfnb2rilm6m2fle

Page 512 of The Academy and Literature Vol. 85, Issue 2163 [page]

1913 The Academy and Literature  
Jane Austen. By Francis Warre Cornish. (Macmillan and Co. 2s. net.) Indian Historical Studies. By H. G. Rawlinson, M.A, Illustrated. (Longmans and Co. 4s. 6d. net.)  ...  Critical Kit-Kats. By Edmund Gosse, C.B. (Wm. Heine- mann. 6s. net.) Mazsddism in the Light of Vishnuism. By A. Govindach- ayra Svamin, M.R.A.S., M.R.S.A. (G.T.A. Press, Mysore.)  ... 

Page 134 of The New Monthly Magazine Vol. 9, Issue 27 [page]

1823 The New Monthly Magazine  
. ; Kent, Thomas Austen, of Seven Oaks, esq.; Leicestershire, Sir Wm. Walker, of Leicester, Kat.; Lincolnshire, Sir Wm.  ...  Mason, of East Retford, esq.; Ox- Jordshire, Daniel Stuart, of Wykham Park, esq.; Rutland, Thomas Thompson, of Tinwell, esq.; Shropshire, John Myt- ton, of Halston, esq.; Somersetshire, John F, Pinney,  ... 

Page 343 of None Vol. , Issue 1890 [page]

1853 None  
Post: fro, kat * / _— BY AUSTEN HENRY LAYARD, M.P. TOY, By, +,* In consequence of the great interest felt in Mr.  ...  f* 1890] JOURNAL OF SCIENCE AND ART. So MR. LAYARD’S SECOND EXPEDITION TO ASSYRIA.  ... 

Page 215 of The Classical Review Vol. 27, Issue 236 [page]

1913 The Classical Review  
Tois 6€ roaovrov mepiyv wmpowias Kat Opdcous Kara Tov Trokeulwv, @ore, pony Kal ToApav erideixvipevou padAov f) mparrovres TL TOY avay- xalov, yupvol pev jveixovto vidbopevor kai dia rayev kai xtdvos Babeias  ...  Post- gate’s own renderings of Dickens and Miss Austen. To say nothing of a Latin Mrs. Bennet, who would have thought that Mr.  ... 

Dicle ve Fırat Nehirlerinde Nakliyat

Nejat Göyünç
2001 Belleten (Turk Tarih Kurumu)  
Meselâ, kömür, Palu kazas~~ ve Çarsan-cak voyvodal~~~26 da~lar~ndan elde edilir, kat~rlarla iskelelere ta~~n~r, kel ekçi ad~~ verilen nakliyeciler bunlar~~ F~rat ve onun kollar~ndan Keban iskelesine ula  ...  ince donanman~n ba~-bu~lu~una deniz i~lerinden becerikli kaptan A~ç~-o~lu Mehmet Pa~a geti-rildi2 '". 1897-1901 aras~n da Musul yak~nlar~nda Nimrud ve Koyuncuk'ta 1845 ve 1847 aras~nda kaz~lar yapan Austen  ... 
doi:10.37879/belleten.2001.655 fatcat:evolp4pxsrafpg74qnfhuofdaq

Probabilistic voting and platform selection in multi-party elections

SimonP. Anderson, Amoz Kats, Jacques-Fran�ois Thisse
1994 Social Choice and Welfare  
., Austen-Smith and Banks (1996 ), and Feddersen and Pesendorfer (1996 , 1998 , 1999 .  ...  The distribution of voter ideal points is given by a log-concave density f .  ... 
doi:10.1007/bf00183300 fatcat:xwp7lk7kifapre4koxohksesyy

Page 190 of The New Monthly Magazine Vol. 11, Issue 62 [page]

1819 The New Monthly Magazine  
Cape) SS © £F 2s cie sce reso «se wee | BEPSEF Lessee ees «<  ...  Ber- ners Piaistow, Kat. of Wallington Hall—At Nor. wich, Wm. Adams, esq. 27. *% NORTHAMPTONSHIRE. We hear that Ear!  ... 

Environmental science: Pollution patrol

Kat Austen
2015 Nature  
"There are hackers the world over working on these technologies right now. " ■ Kat Austen is a freelance writer in Berlin.  ...  FEATURE NEWS C L A R I F I E D 9 J A N U A R Y 2 0 1 5 | 8 J A N U A R Y 2 0 1 5 | V O L 5 1 7 | N A T U R E | 1 3 7 it difficult to compare results between devices, he says.  ... 
doi:10.1038/517136a pmid:25567265 fatcat:miibegp3gbbavcqfs4g247muhi

BEHAVIOUR OF FATIGUE CRACK PROPAGATION IN Cr - V SPUR GEAR MODEL

MAHER EL DESSOUKY
1986 The International Conference on Applied Mechanics and Mechanical Engineering  
Specimens and gear models were austenized at 840'c, quenched in oil and tempered at 550 . 0 for 4hrs.  ...  ASTM STP 381,1970,249 (2nd printing) . 6 ERDOGAN,F. and RATWANI,M.; Int. J. of Fract. Mech. 6, 1970,379 7 KINOSHITA,M., KONO,K. and SHINGAI,K.:Eng. Fract.  ... 
doi:10.21608/amme.1986.57031 fatcat:epolm4m75zfynfk6t55twtuwrm

Page 830 of None Vol. 85, Issue 2225 [page]

1898 None  
F. GREEN & CO. Head Offices Managers: { ANDERSON, ANDERSON & CO. § Fenchurch Avenue, London.  ...  Mra < Woop, Miss Kats Rorke, and Powerful Company. Morning Performance, aturday, 28 May, at r.30. For full particulars see Daily Papers.  ... 

International Arbitration and Security. By Gunji Hosono. (Tokyo: Maruzen Co., 1941. pp. 447. Index. $4.00.)

Francis O. Wilcox
1942 American Journal of International Law  
A. de Kat Angelino’s exhaustive study on colonial policy is not mentioned; none of F. M. Keesing’s excellent volumes on the Pacific area are named. Two works on Kenya are listed, whereas W. R.  ...  Sir Austen Chamberlain is well treated, as having a definite policy, with the Locarno Pact his greatest achievement. ‘‘Uncle Arthur’?  ... 
doi:10.1017/s0002930000767601 fatcat:dqqvd7ujf5eddob2snk6wj2cua
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