Vote for your favorite mineral in #MinCup25! - Topaz vs. Kyanite
It's a battle of high-pressure colourful beauties of #topaz vs #kyanite. Which can stand the heat of round 1?
Log InRegister
Quick Links : The Mindat ManualThe Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
Home PageAbout MindatThe Mindat ManualHistory of MindatCopyright StatusWho We AreContact UsAdvertise on Mindat
Donate to MindatCorporate SponsorshipSponsor a PageSponsored PagesMindat AdvertisersAdvertise on Mindat
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
Minerals by PropertiesMinerals by ChemistryAdvanced Locality SearchRandom MineralRandom LocalitySearch by minIDLocalities Near MeSearch ArticlesSearch GlossaryMore Search Options
Search For:
Mineral Name:
Locality Name:
Keyword(s):
 
The Mindat ManualAdd a New PhotoRate PhotosLocality Edit ReportCoordinate Completion ReportAdd Glossary Item
Mining CompaniesStatisticsUsersMineral MuseumsClubs & OrganizationsMineral Shows & EventsThe Mindat DirectoryDevice SettingsThe Mineral Quiz
Photo SearchPhoto GalleriesSearch by ColorNew Photos TodayNew Photos YesterdayMembers' Photo GalleriesPast Photo of the Day GalleryPhotography

Schenk, Martin R., Köddermann, Thorsten, Kirschner, Karl N., Knauer, Sandra, Reith, Dirk (2020) Molecular Dynamics in the Energy Sector: Experiment and Modeling of the CO2/CH4 Mixture. Journal of Chemical & Engineering Data, 65 (3) 1117-1123 doi:10.1021/acs.jced.9b00503

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleMolecular Dynamics in the Energy Sector: Experiment and Modeling of the CO2/CH4 Mixture
JournalJournal of Chemical & Engineering Data
AuthorsSchenk, Martin R.Author
Köddermann, ThorstenAuthor
Kirschner, Karl N.Author
Knauer, SandraAuthor
Reith, DirkAuthor
Year2020 (March 12)Volume65
Issue3
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jced.9b00503Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID14565531Long-form Identifiermindat:1:5:14565531:2
GUID0
Full ReferenceSchenk, Martin R., Köddermann, Thorsten, Kirschner, Karl N., Knauer, Sandra, Reith, Dirk (2020) Molecular Dynamics in the Energy Sector: Experiment and Modeling of the CO2/CH4 Mixture. Journal of Chemical & Engineering Data, 65 (3) 1117-1123 doi:10.1021/acs.jced.9b00503
Plain TextSchenk, Martin R., Köddermann, Thorsten, Kirschner, Karl N., Knauer, Sandra, Reith, Dirk (2020) Molecular Dynamics in the Energy Sector: Experiment and Modeling of the CO2/CH4 Mixture. Journal of Chemical & Engineering Data, 65 (3) 1117-1123 doi:10.1021/acs.jced.9b00503
In(2020, March) Journal of Chemical & Engineering Data Vol. 65 (3) American Chemical Society (ACS)

See Also

These are possibly similar items as determined by title/reference text matching only.

Knauer, Sandra, Schenk, Martin R., Köddermann, Thorsten, Reith, Dirk, Jaeger, Philip (2017) Interfacial Tension and Related Properties of Ionic Liquids in CH4 and CO2 at Elevated Pressures: Experimental Data and Molecular Dynamics Simulation. Journal of Chemical & Engineering Data, 62 (8) 2234-2243 doi:10.1021/acs.jced.6b00751
Elfgen, Roman, Hülsmann, Marco, Krämer, Andreas, Köddermann, Thorsten, Kirschner, Karl N., Reith, Dirk (2016) Optimized atomistic force fields for aqueous solutions of Magnesium and Calcium Chloride: Analysis, achievements and limitations. The European Physical Journal Special Topics, 225 (8). 1391-1409 doi:10.1140/epjst/e2016-60112-7
Krämer-Fuhrmann, Ottmar, Neisius, Jens, Gehlen, Niklas, Reith, Dirk, Kirschner, Karl N. (2013) Wolf2Pack – Portal Based Atomistic Force-Field Development. Journal of Chemical Information and Modeling, 53 (4) 802-808 doi:10.1021/ci300290g
Köddermann, Thorsten, Reith, Dirk, Arnold, A. (2013) Why the Partition Coefficient of Ionic Liquids Is Concentration-Dependent. The Journal of Physical Chemistry B, 117 (37). 10711-10718 doi:10.1021/jp405383f
Kvamme, Bjørn (2016) Thermodynamic Limitations of the CO2/N2 Mixture Injected into CH4 Hydrate in the Ignik Sikumi Field Trial. Journal of Chemical & Engineering Data, 61 (3) 1280-1295 doi:10.1021/acs.jced.5b00930
Noroozi, Javad, Smith, William R. (2020) Prediction of Alkanolamine pKa Values by Combined Molecular Dynamics Free Energy Simulations and ab Initio Calculations. Journal of Chemical & Engineering Data, 65 (3) 1358-1368 doi:10.1021/acs.jced.9b00927
Müller, Max, Hagg, Alexander, Strickstrock, Robin, Hülsmann, Marco, Asteroth, Alexander, Kirschner, Karl N., Reith, Dirk (2023) Determining Lennard-Jones Parameters Using Multiscale Target Data through Presampling-Enhanced, Surrogate-Assisted Global Optimization. Journal of Chemical Information and Modeling, 63 (7) 1872-1881 doi:10.1021/acs.jcim.2c01231
Zheng, Lingru, Bresme, Fernando, Trusler, J. P. Martin, Müller, Erich A. (2020) Employing SAFT Coarse-Grained Force Fields for the Molecular Simulation of Thermodynamic and Transport Properties of CO2–n-Alkane Mixtures. Journal of Chemical & Engineering Data, 65 (3) 1159-1171 doi:10.1021/acs.jced.9b00534
Temelso, Berhane, Köddermann, Thorsten, Kirschner, Karl N., Klein, Katurah, Shields, George C. (2013) Structure and thermodynamics of H3O+(H2O)8 clusters: A combined molecular dynamics and quantum mechanics approach. Computational and Theoretical Chemistry, 1021. 240-248 doi:10.1016/j.comptc.2013.07.039
Hülsmann, Marco, Köddermann, Thorsten, Vrabec, Jadran, Reith, Dirk (2010) GROW: A gradient-based optimization workflow for the automated development of molecular models. Computer Physics Communications, 181. 499-513 doi:10.1016/j.cpc.2009.10.024
Kirschner, Karl N., Heiden, Wolfgang, Reith, Dirk (2017) Relative electronic and free energies of octane's unique conformations. Molecular Physics, 115. 1155-1165 doi:10.1080/00268976.2016.1262076
 
and/or  
Mindat.org is an outreach project of the Hudson Institute of Mineralogy, a 501(c)(3) not-for-profit organization.
Copyright © mindat.org and the Hudson Institute of Mineralogy 1993-2025, except where stated. Most political location boundaries are © OpenStreetMap contributors. Mindat.org relies on the contributions of thousands of members and supporters. Founded in 2000 by Jolyon Ralph.
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
Privacy Policy - Terms & Conditions - Contact Us / DMCA issues - Report a bug/vulnerability Current server date and time: September 13, 2025 08:59:47
Go to top of page