Adsorption of Octyl Cyanide at the Free Water Surface as Studied by Monte Carlo Simulation
Monte Carlo simulations of the adsorption layer of octyl cyanide have been performed on the canonical (N, V, T) ensemble at 300 K. The systems simulated cover the range of octyl cyanide surface densities from 0.27 to 7.83 μmol/m2. The surface density value at which the saturation of the adsorption l...
Saved in:
Published in | The journal of physical chemistry. B Vol. 111; no. 21; pp. 5885 - 5895 |
---|---|
Main Authors | , |
Format | Journal Article |
Language | English |
Published |
United States
American Chemical Society
31.05.2007
|
Subjects | |
Online Access | Get full text |
Cover
Loading…
Abstract | Monte Carlo simulations of the adsorption layer of octyl cyanide have been performed on the canonical (N, V, T) ensemble at 300 K. The systems simulated cover the range of octyl cyanide surface densities from 0.27 to 7.83 μmol/m2. The surface density value at which the saturation of the adsorption layer occurs is estimated to be 1.7 μmol/m2. At low surface densities, the main driving force of the adsorption is found to be the formation of hydrogen bonds between the water and octyl cyanide molecules, whereas at higher surface concentrations, the dipole−dipole attraction between the neighboring adsorbed octyl cyanide molecules becomes more important. At low surface concentrations, the water−octyl cyanide hydrogen bonds prefer tilted alignments relative to the interface; however, in the case of the saturated adsorption layer, the number of such hydrogen bonds is maximized, leading to the preference of these bonds for the orientation perpendicular to the interface. Contrary to nonionic surfactants of multiple hydrogen bonding abilities (e.g., 1-octanol, C8E3), the increasing surface concentration of octyl cyanide was not found to lead to considerable competition of the molecules for positions of optimal arrangement. As a consequence, the energy and geometry of the water−octyl cyanide hydrogen bonds are found to be insensitive to the octyl cyanide surface concentration. |
---|---|
AbstractList | Monte Carlo simulations of the adsorption layer of octyl cyanide have been performed on the canonical (N, V, T) ensemble at 300 K. The systems simulated cover the range of octyl cyanide surface densities from 0.27 to 7.83 μmol/m2. The surface density value at which the saturation of the adsorption layer occurs is estimated to be 1.7 μmol/m2. At low surface densities, the main driving force of the adsorption is found to be the formation of hydrogen bonds between the water and octyl cyanide molecules, whereas at higher surface concentrations, the dipole−dipole attraction between the neighboring adsorbed octyl cyanide molecules becomes more important. At low surface concentrations, the water−octyl cyanide hydrogen bonds prefer tilted alignments relative to the interface; however, in the case of the saturated adsorption layer, the number of such hydrogen bonds is maximized, leading to the preference of these bonds for the orientation perpendicular to the interface. Contrary to nonionic surfactants of multiple hydrogen bonding abilities (e.g., 1-octanol, C8E3), the increasing surface concentration of octyl cyanide was not found to lead to considerable competition of the molecules for positions of optimal arrangement. As a consequence, the energy and geometry of the water−octyl cyanide hydrogen bonds are found to be insensitive to the octyl cyanide surface concentration. Monte Carlo simulations of the adsorption layer of octyl cyanide have been performed on the canonical (N, V, T) ensemble at 300 K. The systems simulated cover the range of octyl cyanide surface densities from 0.27 to 7.83 mumol/m2. The surface density value at which the saturation of the adsorption layer occurs is estimated to be 1.7 mumol/m2. At low surface densities, the main driving force of the adsorption is found to be the formation of hydrogen bonds between the water and octyl cyanide molecules, whereas at higher surface concentrations, the dipole-dipole attraction between the neighboring adsorbed octyl cyanide molecules becomes more important. At low surface concentrations, the water-octyl cyanide hydrogen bonds prefer tilted alignments relative to the interface; however, in the case of the saturated adsorption layer, the number of such hydrogen bonds is maximized, leading to the preference of these bonds for the orientation perpendicular to the interface. Contrary to nonionic surfactants of multiple hydrogen bonding abilities (e.g., 1-octanol, C8E3), the increasing surface concentration of octyl cyanide was not found to lead to considerable competition of the molecules for positions of optimal arrangement. As a consequence, the energy and geometry of the water-octyl cyanide hydrogen bonds are found to be insensitive to the octyl cyanide surface concentration. |
Author | Pártay, Lívia B Jedlovszky, Pál |
Author_xml | – sequence: 1 givenname: Pál surname: Jedlovszky fullname: Jedlovszky, Pál – sequence: 2 givenname: Lívia B surname: Pártay fullname: Pártay, Lívia B |
BackLink | https://www.ncbi.nlm.nih.gov/pubmed/17487997$$D View this record in MEDLINE/PubMed |
BookMark | eNptkE1LAzEQhoNUbK0e_AOSi4KH1WSzSXaPpfgFFYVWBS8hm53FrdtNTbJg_72RFr14GGZgnnln5j1Eg852gNAJJZeUpPRquSYi50I0e2hEeUqSGHKwqwUlYogOvV8SkvI0FwdoSGWWy6KQI_Q2qbx169DYDtsaP5qwafF0o7umAqwDDu-AbxwAftUBHJ73rtYmdjyeh75qoMLlBj_YLgCeatdaPG9Wfat_9I7Qfq1bD8e7PEbPN9eL6V0ye7y9n05miWachsRoApoKnglZCCg4z9K8YKQUksbLDQNd0TJlJitYaeKXJq8lKwyUGRelyCo2Rudb3bWznz34oFaNN9C2ugPbeyUJZ4WI42N0sQWNs947qNXaNSvtNooS9WOk-jUysqc70b5cQfVH7pyLQLIFGh_g67ev3YcSkkmuFk9zlZE7-ZLNFopE_mzLa-PV0vaui578s_gbM_iJfQ |
CitedBy_id | crossref_primary_10_1016_j_molliq_2007_08_013 crossref_primary_10_1088_0256_307X_35_4_046802 crossref_primary_10_1007_s00396_015_3630_8 crossref_primary_10_1021_jp110270c crossref_primary_10_1021_jp2085439 |
Cites_doi | 10.1021/jp962099v 10.1063/1.448553 10.1063/1.469928 10.1021/j100369a073 10.1016/j.cplett.2005.12.066 10.1021/j100308a038 10.1063/1.465947 10.1080/00268970110118312 10.1063/1.2179074 10.1021/jp022349+ 10.1016/S0020-1693(99)00561-7 10.1021/la000750m 10.1063/1.1874872 10.1063/1.445869 10.1021/jp0219505 10.1021/jp014403c 10.1126/science.8211140 10.1021/jp055310o 10.1021/jp046898m 10.1016/j.molliq.2003.08.007 10.1021/jp963460g 10.1063/1.1488579 10.1080/0026897031000068569 10.1021/jp066969c 10.1063/1.480323 10.1021/ja065553+ 10.1021/jp0534885 10.1063/1.474152 10.1021/j100203a062 10.1021/jp994479x 10.1080/00268978400100081 10.1039/B313231P 10.1063/1.464358 10.1063/1.480442 10.1063/1.471870 10.1063/1.1491871 10.1021/jp056851g 10.1080/00268977300102101 10.1021/jp991352z 10.1002/(SICI)1096-987X(199908)20:11<1153::AID-JCC6>3.0.CO;2-K 10.1063/1.1753255 10.1063/1.1789951 10.1080/00268978800100371 10.1021/jp971865a 10.1016/0021-9991(81)90141-8 10.1080/00268979809482184 10.1063/1.1888368 10.1063/1.470992 10.1021/bi015613i 10.1007/978-1-4684-8580-6_2 10.1063/1.480924 10.1016/S0006-3495(95)80126-8 10.1021/jp001175y 10.1063/1.1581848 10.1021/jp0133788 10.1063/1.481627 |
ContentType | Journal Article |
Copyright | Copyright © 2007 American Chemical Society |
Copyright_xml | – notice: Copyright © 2007 American Chemical Society |
DBID | BSCLL CGR CUY CVF ECM EIF NPM AAYXX CITATION 7X8 |
DOI | 10.1021/jp068566i |
DatabaseName | Istex Medline MEDLINE MEDLINE (Ovid) MEDLINE MEDLINE PubMed CrossRef MEDLINE - Academic |
DatabaseTitle | MEDLINE Medline Complete MEDLINE with Full Text PubMed MEDLINE (Ovid) CrossRef MEDLINE - Academic |
DatabaseTitleList | MEDLINE MEDLINE - Academic |
Database_xml | – sequence: 1 dbid: NPM name: PubMed url: https://proxy.k.utb.cz/login?url=http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed sourceTypes: Index Database – sequence: 2 dbid: EIF name: MEDLINE url: https://proxy.k.utb.cz/login?url=https://www.webofscience.com/wos/medline/basic-search sourceTypes: Index Database |
DeliveryMethod | fulltext_linktorsrc |
Discipline | Chemistry |
EISSN | 1520-5207 |
EndPage | 5895 |
ExternalDocumentID | 10_1021_jp068566i 17487997 ark_67375_TPS_40H7V4LT_0 a154442021 |
Genre | Journal Article |
GroupedDBID | - .K2 02 123 186 29L 4.4 53G 55A 5VS 7~N 85S 8RP AABXI ABFLS ABMVS ABPTK ABUCX ACGFS ACNCT ACS AEESW AENEX AETEA AFEFF AFFNX ALMA_UNASSIGNED_HOLDINGS ANTXH AQSVZ BAANH CS3 DU5 EBS ED ED~ EJD F20 F5P GNL IH9 IHE JG JG~ K2 LG6 PZZ RNS ROL TAE TN5 UI2 UKR UNC UPT UQL VF5 VG9 VQA VQP W1F WH7 X YZZ ZCG ZGI ZHY --- -~X .DC 6TJ ABFRP ABJNI ABQRX ACBEA ADHLV AHGAQ BSCLL GGK XSW YQT ~02 AAHBH CGR CUPRZ CUY CVF ECM EIF NPM AAYXX CITATION 7X8 |
ID | FETCH-LOGICAL-a351t-ca0ea16546796e955428930b671106c3ead1b23c493bc856c8f739ceb456b64d3 |
IEDL.DBID | ACS |
ISSN | 1520-6106 |
IngestDate | Sat Aug 17 00:08:24 EDT 2024 Thu Sep 26 19:28:44 EDT 2024 Sat Sep 28 08:35:30 EDT 2024 Wed Jan 17 04:51:29 EST 2024 Thu Aug 27 13:42:34 EDT 2020 |
IsPeerReviewed | true |
IsScholarly | true |
Issue | 21 |
Language | English |
LinkModel | DirectLink |
MergedId | FETCHMERGED-LOGICAL-a351t-ca0ea16546796e955428930b671106c3ead1b23c493bc856c8f739ceb456b64d3 |
Notes | ark:/67375/TPS-40H7V4LT-0 istex:B87D7BB1AD9A196300E7D2AD221AEBD7B046E33A ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
PMID | 17487997 |
PQID | 70539649 |
PQPubID | 23479 |
PageCount | 11 |
ParticipantIDs | proquest_miscellaneous_70539649 crossref_primary_10_1021_jp068566i pubmed_primary_17487997 istex_primary_ark_67375_TPS_40H7V4LT_0 acs_journals_10_1021_jp068566i |
ProviderPackageCode | JG~ 55A AABXI GNL VF5 7~N VG9 W1F ANTXH ACS AEESW AFEFF .K2 ABMVS ABUCX IH9 BAANH AQSVZ ED~ UI2 |
PublicationCentury | 2000 |
PublicationDate | 2007-05-31 |
PublicationDateYYYYMMDD | 2007-05-31 |
PublicationDate_xml | – month: 05 year: 2007 text: 2007-05-31 day: 31 |
PublicationDecade | 2000 |
PublicationPlace | United States |
PublicationPlace_xml | – name: United States |
PublicationTitle | The journal of physical chemistry. B |
PublicationTitleAlternate | J. Phys. Chem. B |
PublicationYear | 2007 |
Publisher | American Chemical Society |
Publisher_xml | – name: American Chemical Society |
References | Alper H. E. (jp068566ib00012/jp068566ib00012_1) 1993; 98 Domínguez H. (jp068566ib00019/jp068566ib00019_1) 2000; 104 Chiu S. W. (jp068566ib00037/jp068566ib00037_1) 1999; 20 Barker J. A. (jp068566ib00048/jp068566ib00048_1) 1973; 26 Jedlovszky P. (jp068566ib00059/jp068566ib00059_1) 1998; 93 Dougan L. (jp068566ib00010/jp068566ib00010_1) 2004; 121 Balasubramanian S. (jp068566ib00005/jp068566ib00005_1) 2002; 106 Jorgensen W. L. (jp068566ib00047/jp068566ib00047_1) 1983; 79 Berendsen H. J. C. (jp068566ib00046/jp068566ib00046_1) 1987; 91 Mezei M. (jp068566ib00050/jp068566ib00050_1) 2007 Cournoyer M. E. (jp068566ib00056/jp068566ib00056_1) 1984; 51 Schweighofer K. J. (jp068566ib00015/jp068566ib00015_1) 1997; 101 Paszternák A. (jp068566ib00024/jp068566ib00024_1) 2005; 122 Jedlovszky P. (jp068566ib00042/jp068566ib00042_1) 2003; 119 Picaud S. (jp068566ib00020/jp068566ib00020_1) 2000; 112 Feller S. E. (jp068566ib00014/jp068566ib00014_1) 1995; 103 Pal S. (jp068566ib00007/jp068566ib00007_1) 2003; 107 Pártay L. (jp068566ib00027/jp068566ib00027_1) 2005; 109 Neumann M. (jp068566ib00049/jp068566ib00049_1) 1985; 82 Domínguez H. (jp068566ib00021/jp068566ib00021_1) 2002; 106 Picaud S. (jp068566ib00026/jp068566ib00026_1) 2005; 122 Pal S. (jp068566ib00006/jp068566ib00006_1) 2002; 117 Berny F. (jp068566ib00018/jp068566ib00018_1) 2000; 300 Jedlovszky P. (jp068566ib00040/jp068566ib00040_1) 2003; 107 Jedlovszky P. (jp068566ib00036/jp068566ib00036_1) 1999; 111 Zubrzycki I. Z. (jp068566ib00038/jp068566ib00038_1) 2000; 112 Böcker J. (jp068566ib00011/jp068566ib00011_1) 1992; 96 Tu K. (jp068566ib00032/jp068566ib00032_1) 1995; 69 Pasenkiewicz-Gierula M. (jp068566ib00034/jp068566ib00034_1) 1997; 101 Venable R. M. (jp068566ib00031/jp068566ib00031_1) 1993; 262 Garde S. (jp068566ib00003/jp068566ib00003_1) 2002; 100 Schweighofer K. J. (jp068566ib00016/jp068566ib00016_1) 1997; 101 jp068566ib00044/jp068566ib00044_1 Jedlovszky P. (jp068566ib00057/jp068566ib00057_1) 1996; 105 Karaborni S. (jp068566ib00001/jp068566ib00001_1) 1990; 94 Jedlovszky P. (jp068566ib00023/jp068566ib00023_1) 2004; 120 Rodriguez J. (jp068566ib00025/jp068566ib00025_1) 2005; 109 Jedlovszky P. (jp068566ib00054/jp068566ib00054_1) 2002; 117 Chong T. T. (jp068566ib00008/jp068566ib00008_1) 2006; 110 Sega M. (jp068566ib00041/jp068566ib00041_1) 2004; 108 Smondyrev A. M. (jp068566ib00035/jp068566ib00035_1) 1999; 111 Jedlovszky P. (jp068566ib00029/jp068566ib00029_1) 2006; 128 López Cascales J. J. (jp068566ib00033/jp068566ib00033_1) 1996; 104 Alper H. E. (jp068566ib00013/jp068566ib00013_1) 1993; 99 Domínguez H. (jp068566ib00017/jp068566ib00017_1) 1999; 103 Yoshii N. (jp068566ib00009/jp068566ib00009_1) 2006; 124 Mezei M. (jp068566ib00051/jp068566ib00051_1) 1983; 39 (jp068566ib00053/jp068566ib00053_1) 1997 Pártay L. (jp068566ib00028/jp068566ib00028_1) 2006; 420 Jedlovszky P. (jp068566ib00058/jp068566ib00058_1) 1997; 107 Jedlovszky P. (jp068566ib00055/jp068566ib00055_1) 2004; 6 Sterpone F. (jp068566ib00002/jp068566ib00002_1) 2001; 17 Jorgensen W. L. (jp068566ib00043/jp068566ib00043_1) 1988; 63 jp068566ib00045/jp068566ib00045_1 Marrink S. J. (jp068566ib00004/jp068566ib00004_1) 2002; 41 Jedlovszky P. (jp068566ib00052/jp068566ib00052_1) 2004; 109 Miller A. F. (jp068566ib00022/jp068566ib00022_1) 2003; 101 Hantal G. (jp068566ib00030/jp068566ib00030_1) 2007; 111 Jedlovszky P. (jp068566ib00039/jp068566ib00039_1) 2001; 105 |
References_xml | – volume: 101 start-page: 3677 year: 1997 ident: jp068566ib00034/jp068566ib00034_1 publication-title: J. Phys. Chem. A doi: 10.1021/jp962099v contributor: fullname: Pasenkiewicz-Gierula M. – volume: 82 start-page: 5663 year: 1985 ident: jp068566ib00049/jp068566ib00049_1 publication-title: J. Chem. Phys. doi: 10.1063/1.448553 contributor: fullname: Neumann M. – volume: 103 start-page: 10267 year: 1995 ident: jp068566ib00014/jp068566ib00014_1 publication-title: J. Chem. Phys. doi: 10.1063/1.469928 contributor: fullname: Feller S. E. – volume: 94 start-page: 2624 year: 1990 ident: jp068566ib00001/jp068566ib00001_1 publication-title: J. Phys. Chem. doi: 10.1021/j100369a073 contributor: fullname: Karaborni S. – volume: 420 start-page: 367 year: 2006 ident: jp068566ib00028/jp068566ib00028_1 publication-title: Chem. Phys. Letters doi: 10.1016/j.cplett.2005.12.066 contributor: fullname: Pártay L. – volume: 91 start-page: 6269 year: 1987 ident: jp068566ib00046/jp068566ib00046_1 publication-title: J. Phys. Chem. doi: 10.1021/j100308a038 contributor: fullname: Berendsen H. J. C. – volume: 99 start-page: 5547 year: 1993 ident: jp068566ib00013/jp068566ib00013_1 publication-title: J. Chem. Phys. doi: 10.1063/1.465947 contributor: fullname: Alper H. E. – volume: 100 start-page: 2299 year: 2002 ident: jp068566ib00003/jp068566ib00003_1 publication-title: Mol. Phys. doi: 10.1080/00268970110118312 contributor: fullname: Garde S. – volume: 124 start-page: 184901 year: 2006 ident: jp068566ib00009/jp068566ib00009_1 publication-title: J. Chem. Phys. doi: 10.1063/1.2179074 contributor: fullname: Yoshii N. – volume: 107 start-page: 5194 year: 2003 ident: jp068566ib00007/jp068566ib00007_1 publication-title: J. Phys. Chem. B doi: 10.1021/jp022349+ contributor: fullname: Pal S. – volume: 300 start-page: 384 year: 2000 ident: jp068566ib00018/jp068566ib00018_1 publication-title: Inorg. Chim. Acta doi: 10.1016/S0020-1693(99)00561-7 contributor: fullname: Berny F. – volume: 17 start-page: 5103 year: 2001 ident: jp068566ib00002/jp068566ib00002_1 publication-title: Langmuir doi: 10.1021/la000750m contributor: fullname: Sterpone F. – volume: 122 start-page: 124704 year: 2005 ident: jp068566ib00024/jp068566ib00024_1 publication-title: J. Chem. Phys. doi: 10.1063/1.1874872 contributor: fullname: Paszternák A. – volume: 79 start-page: 926 year: 1983 ident: jp068566ib00047/jp068566ib00047_1 publication-title: J. Chem. Phys. doi: 10.1063/1.445869 contributor: fullname: Jorgensen W. L. – volume: 107 start-page: 5311 year: 2003 ident: jp068566ib00040/jp068566ib00040_1 publication-title: J. Phys. Chem. B doi: 10.1021/jp0219505 contributor: fullname: Jedlovszky P. – volume: 106 start-page: 5915 year: 2002 ident: jp068566ib00021/jp068566ib00021_1 publication-title: J. Phys. Chem. B doi: 10.1021/jp014403c contributor: fullname: Domínguez H. – volume: 262 start-page: 223 year: 1993 ident: jp068566ib00031/jp068566ib00031_1 publication-title: Science doi: 10.1126/science.8211140 contributor: fullname: Venable R. M. – volume: 109 start-page: 24427 year: 2005 ident: jp068566ib00025/jp068566ib00025_1 publication-title: J. Phys. Chem. B doi: 10.1021/jp055310o contributor: fullname: Rodriguez J. – volume: 108 start-page: 20322 year: 2004 ident: jp068566ib00041/jp068566ib00041_1 publication-title: J. Phys. Chem. B doi: 10.1021/jp046898m contributor: fullname: Sega M. – volume: 109 start-page: 99 year: 2004 ident: jp068566ib00052/jp068566ib00052_1 publication-title: J. Mol. Liq. doi: 10.1016/j.molliq.2003.08.007 contributor: fullname: Jedlovszky P. – volume: 101 start-page: 3793 year: 1997 ident: jp068566ib00015/jp068566ib00015_1 publication-title: J. Phys. Chem. B doi: 10.1021/jp963460g contributor: fullname: Schweighofer K. J. – volume: 117 start-page: 2271 year: 2002 ident: jp068566ib00054/jp068566ib00054_1 publication-title: J. Chem. Phys. doi: 10.1063/1.1488579 contributor: fullname: Jedlovszky P. – volume: 101 start-page: 1131 year: 2003 ident: jp068566ib00022/jp068566ib00022_1 publication-title: Mol. Phys. doi: 10.1080/0026897031000068569 contributor: fullname: Miller A. F. – volume: 111 start-page: 1769 year: 2007 ident: jp068566ib00030/jp068566ib00030_1 publication-title: J. Phys. Chem. B doi: 10.1021/jp066969c contributor: fullname: Hantal G. – volume: 111 start-page: 9864 year: 1999 ident: jp068566ib00035/jp068566ib00035_1 publication-title: J. Chem. Phys. doi: 10.1063/1.480323 contributor: fullname: Smondyrev A. M. – volume: 128 start-page: 15300 year: 2006 ident: jp068566ib00029/jp068566ib00029_1 publication-title: J. Am. Chem. Soc. doi: 10.1021/ja065553+ contributor: fullname: Jedlovszky P. – volume: 109 start-page: 20493 year: 2005 ident: jp068566ib00027/jp068566ib00027_1 publication-title: J. Phys. Chem. B doi: 10.1021/jp0534885 contributor: fullname: Pártay L. – volume: 107 start-page: 10166 year: 1997 ident: jp068566ib00058/jp068566ib00058_1 publication-title: J. Chem. Phys. doi: 10.1063/1.474152 contributor: fullname: Jedlovszky P. – volume: 96 start-page: 9915 year: 1992 ident: jp068566ib00011/jp068566ib00011_1 publication-title: J. Phys. Chem. doi: 10.1021/j100203a062 contributor: fullname: Böcker J. – volume: 104 start-page: 5302 year: 2000 ident: jp068566ib00019/jp068566ib00019_1 publication-title: J. Phys. Chem. B doi: 10.1021/jp994479x contributor: fullname: Domínguez H. – volume: 51 start-page: 119 year: 1984 ident: jp068566ib00056/jp068566ib00056_1 publication-title: Mol. Phys. doi: 10.1080/00268978400100081 contributor: fullname: Cournoyer M. E. – volume-title: CRC Handbook of Chemistry and Physics year: 1997 ident: jp068566ib00053/jp068566ib00053_1 – volume: 6 start-page: 1874 year: 2004 ident: jp068566ib00055/jp068566ib00055_1 publication-title: Phys. Chem. Chem. Phys. doi: 10.1039/B313231P contributor: fullname: Jedlovszky P. – volume: 98 start-page: 9798 year: 1993 ident: jp068566ib00012/jp068566ib00012_1 publication-title: J. Chem. Phys. doi: 10.1063/1.464358 contributor: fullname: Alper H. E. – volume: 111 start-page: 10770 year: 1999 ident: jp068566ib00036/jp068566ib00036_1 publication-title: J. Chem. Phys. doi: 10.1063/1.480442 contributor: fullname: Jedlovszky P. – volume: 105 start-page: 245 year: 1996 ident: jp068566ib00057/jp068566ib00057_1 publication-title: J. Chem. Phys. doi: 10.1063/1.471870 contributor: fullname: Jedlovszky P. – volume: 117 start-page: 2852 year: 2002 ident: jp068566ib00006/jp068566ib00006_1 publication-title: J. Chem. Phys. doi: 10.1063/1.1491871 contributor: fullname: Pal S. – volume: 110 start-page: 4978 year: 2006 ident: jp068566ib00008/jp068566ib00008_1 publication-title: J. Phys. Chem. B doi: 10.1021/jp056851g contributor: fullname: Chong T. T. – ident: jp068566ib00045/jp068566ib00045_1 – volume: 26 start-page: 789 year: 1973 ident: jp068566ib00048/jp068566ib00048_1 publication-title: Mol. Phys. doi: 10.1080/00268977300102101 contributor: fullname: Barker J. A. – volume: 103 start-page: 9582 year: 1999 ident: jp068566ib00017/jp068566ib00017_1 publication-title: J. Phys. Chem. B doi: 10.1021/jp991352z contributor: fullname: Domínguez H. – volume: 20 start-page: 1153 year: 1999 ident: jp068566ib00037/jp068566ib00037_1 publication-title: J. Comp. Chem. doi: 10.1002/(SICI)1096-987X(199908)20:11<1153::AID-JCC6>3.0.CO;2-K contributor: fullname: Chiu S. W. – volume: 120 start-page: 11839 year: 2004 ident: jp068566ib00023/jp068566ib00023_1 publication-title: J. Chem. Phys. doi: 10.1063/1.1753255 contributor: fullname: Jedlovszky P. – volume: 121 start-page: 6456 year: 2004 ident: jp068566ib00010/jp068566ib00010_1 publication-title: J. Chem. Phys. doi: 10.1063/1.1789951 contributor: fullname: Dougan L. – volume: 63 start-page: 547 year: 1988 ident: jp068566ib00043/jp068566ib00043_1 publication-title: Mol. Phys. doi: 10.1080/00268978800100371 contributor: fullname: Jorgensen W. L. – volume: 101 start-page: 10775 year: 1997 ident: jp068566ib00016/jp068566ib00016_1 publication-title: J. Phys. Chem. B doi: 10.1021/jp971865a contributor: fullname: Schweighofer K. J. – volume: 39 start-page: 128 year: 1983 ident: jp068566ib00051/jp068566ib00051_1 publication-title: J. Comp. Phys. doi: 10.1016/0021-9991(81)90141-8 contributor: fullname: Mezei M. – volume: 93 start-page: 15 year: 1998 ident: jp068566ib00059/jp068566ib00059_1 publication-title: Mol. Phys. doi: 10.1080/00268979809482184 contributor: fullname: Jedlovszky P. – volume: 122 start-page: 194707 year: 2005 ident: jp068566ib00026/jp068566ib00026_1 publication-title: J. Chem. Phys. doi: 10.1063/1.1888368 contributor: fullname: Picaud S. – volume: 104 start-page: 2713 year: 1996 ident: jp068566ib00033/jp068566ib00033_1 publication-title: J. Chem. Phys. doi: 10.1063/1.470992 contributor: fullname: López Cascales J. J. – volume-title: MMC Program at URL: http://inka.mssm.edu/∼mezei/mmc (accessed year: 2007 ident: jp068566ib00050/jp068566ib00050_1 contributor: fullname: Mezei M. – volume: 41 start-page: 5375 year: 2002 ident: jp068566ib00004/jp068566ib00004_1 publication-title: Biochemistry doi: 10.1021/bi015613i contributor: fullname: Marrink S. J. – ident: jp068566ib00044/jp068566ib00044_1 doi: 10.1007/978-1-4684-8580-6_2 – volume: 112 start-page: 3437 year: 2000 ident: jp068566ib00038/jp068566ib00038_1 publication-title: J. Chem. Phys. doi: 10.1063/1.480924 contributor: fullname: Zubrzycki I. Z. – volume: 69 start-page: 2558 year: 1995 ident: jp068566ib00032/jp068566ib00032_1 publication-title: Biophys. J. doi: 10.1016/S0006-3495(95)80126-8 contributor: fullname: Tu K. – volume: 105 start-page: 3614 year: 2001 ident: jp068566ib00039/jp068566ib00039_1 publication-title: J. Phys. Chem. B doi: 10.1021/jp001175y contributor: fullname: Jedlovszky P. – volume: 119 start-page: 1731 year: 2003 ident: jp068566ib00042/jp068566ib00042_1 publication-title: J. Chem. Phys. doi: 10.1063/1.1581848 contributor: fullname: Jedlovszky P. – volume: 106 start-page: 3668 year: 2002 ident: jp068566ib00005/jp068566ib00005_1 publication-title: J. Phys. Chem. B doi: 10.1021/jp0133788 contributor: fullname: Balasubramanian S. – volume: 112 start-page: 9898 year: 2000 ident: jp068566ib00020/jp068566ib00020_1 publication-title: J. Chem. Phys. doi: 10.1063/1.481627 contributor: fullname: Picaud S. |
SSID | ssj0025286 |
Score | 1.9245619 |
Snippet | Monte Carlo simulations of the adsorption layer of octyl cyanide have been performed on the canonical (N, V, T) ensemble at 300 K. The systems simulated cover... |
SourceID | proquest crossref pubmed istex acs |
SourceType | Aggregation Database Index Database Publisher |
StartPage | 5885 |
SubjectTerms | Adsorption Computer Simulation Hydrogen Bonding Monte Carlo Method Nitriles - chemistry Surface Properties Water - chemistry |
Title | Adsorption of Octyl Cyanide at the Free Water Surface as Studied by Monte Carlo Simulation |
URI | http://dx.doi.org/10.1021/jp068566i https://api.istex.fr/ark:/67375/TPS-40H7V4LT-0/fulltext.pdf https://www.ncbi.nlm.nih.gov/pubmed/17487997 https://search.proquest.com/docview/70539649 |
Volume | 111 |
hasFullText | 1 |
inHoldings | 1 |
isFullTextHit | |
isPrint | |
link | http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwhV3db9MwED_t44G98DmgYysWoL1lc2PHiR-nQFUhBkhtYeIlsh1HKu2SKkklyl-_c9KMIdj2mtiKcz_b9zvf-Q7g3UDJAJko9QyyUY_LiHrKZ8zLqE4VPsJu7hzy_LMYTfnHi-BiC97e4sH3B6c_l1RESDpm27Dru8hBx3_i8bVVFfhNOUfUQ84OoqJLH3Szq1M9pvpL9ew6Kf66nVc2-mX4CN53t3TasJL5yarWJ-b3v0kb7xr6Y3i44ZfkrJ0QT2DL5k_hQdyVdXsGP87SqiibjYIUGfli6vWCxGuVz1JLVE2QEJJhaS35jiy0JONVmSmDbyrShhymRK_JuctpRWJVLgoynl1uSoDtw3T4YRKPvE2BBU-xYFB7RlGrmutMoRRWIrNA84tRLUIkBcIwnGUD7TPDJdMGf8REWciksRpZlxY8Zc9hJy9y-xKIiVImBCJro4yjztMsSy1XaB8h3CzIetBHBJLNAqmSxvfto-3RiagHbzpwkmWbaON_jY4b2K5bqHLuItPCIJl8HSecjsJv_NMkoT143eGaoHydE0TltlhVSYi7jhRc9uBFC_efr4VovEkZHtw31Few157wuhiCQ9ipy5U9QmpS634zNa8A1fnavw |
link.rule.ids | 315,786,790,2782,27109,27957,27958,57093,57143 |
linkProvider | American Chemical Society |
linkToHtml | http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwjV3fb9MwELbG9jBegPGzMDYLId4y3Nqx48cpoupGO5DawcSLZTuOVDaSKUklyl-_s5NsbALBa2I79p3j-z77fIfQ26GWMSBREllAoxGTCYn0iNIoJybT8Aiq-X3I2QmfnLLjs_isC5Pj78JAJ2poqQ6H-DfRBYbvv18SngD2WN5DW7EAHu5hUDq_JlfxKGR1BHPk6RDhfRSh36t6C2TrWxZoywvz59_hZTAz44dtvqLQweBdcn6wasyB_XUnduP_jeARetChTXzYTo8dtOGKx2g77ZO8PUHfDrO6rMKygcscf7LN-gKna10sM4d1gwEe4nHlHP4KmLTC81WVawtvatw6IGbYrPHMR7jCqa4uSjxf_ugSgj1Fp-MPi3QSdekWIk3jYRNZTZwOl5uE5E4CzgAyRonhAiACtxTm3NCMqGWSGgsDsUkuqLTOAAYznGX0GdosysK9QNgmGeUc9OySnIEFNDTPHNPAlkD5NM4HaA8kpLrfpVbhJHwETKQX0QC96XWkLtuwG38q9C5o77qErs69n5qI1eLzXDEyEV_YdKHIAO336lUgX38kogtXrmolYA2SnMkBet5q_eZrAqiclOLlv7q6j7Yni9lUTY9OPr5C99u9X-9dsIs2m2rlXgNoacxemK1X_ijjKg |
linkToPdf | http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwjV3db9MwED_BJgEvfH90wGYhxFuGWztO_DiFVQX2JbWDiZfIdhyp-0iqJJVW_nrOTtIBAsFrYif23dn3O9_5DuDtUMkQkSgNDKLRgMuYBmrEWJBTnSl8hN3cOeThkZic8k9n4VlnKLq7MDiIGr9Ueye-W9WLLO8yDAzfny-oiBF_zG_DZugKdzsolEzXBlY48pUdUSU5k4iKPpPQz12dFjL1L1po0xH0-u8Q06ua8QM4Xg_SR5hc7C4bvWu-_5a_8f9n8RDud6iT7LVi8ghu2eIx3E36Ym9P4NteVpeV3z5ImZNj06wuSbJSxTyzRDUEYSIZV9aSr4hNKzJdVrky-KYmbSBiRvSKHLpMVyRR1WVJpvOrrjDYUzgd78-SSdCVXQgUC4dNYBS1yl9yiqSwEvEGGmWMahEhVBCGoewN9YgZLpk2OBET5xGTxmrEYlrwjD2DjaIs7AsgJs6YEMhvG-ccNaFmeWa5QqsJhYCF-QC2kUppt2zq1HvER2iR9CQawJueT-miTb_xp0bvPAfXLVR14eLVojCdnUxTTifRF34wS-kAdnoWp0hf5xpRhS2XdRrhXiQFlwN43nL-5m8RmnRSRlv_GuoO3Dn5ME4PPh59fgn32iNgF2TwCjaaamlfI3Zp9LYX2B9xheWk |
openUrl | ctx_ver=Z39.88-2004&ctx_enc=info%3Aofi%2Fenc%3AUTF-8&rfr_id=info%3Asid%2Fsummon.serialssolutions.com&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Adsorption+of+octyl+cyanide+at+the+free+water+surface+as+studied+by+Monte+Carlo+simulation&rft.jtitle=The+journal+of+physical+chemistry.+B&rft.au=Jedlovszky%2C+Pal&rft.au=P%C3%A1rtay%2C+L%C3%ADvia+B&rft.date=2007-05-31&rft.issn=1520-6106&rft.volume=111&rft.issue=21&rft.spage=5885&rft_id=info:doi/10.1021%2Fjp068566i&rft_id=info%3Apmid%2F17487997&rft.externalDocID=17487997 |
thumbnail_l | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/lc.gif&issn=1520-6106&client=summon |
thumbnail_m | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/mc.gif&issn=1520-6106&client=summon |
thumbnail_s | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/sc.gif&issn=1520-6106&client=summon |