![]() |
mech_optimiz
4.4.1
microkinetic mechanism investigation tool
|
David Arthur and Sergei Vassilvitskii. k-means++: The advantages of careful seeding. In Proceedings of the eighteenth annual ACM-SIAM symposium on Discrete algorithms, pages 1027–1035. Society for Industrial and Applied Mathematics, 2007.
Olaf Deutschmann. Modeling and simulation of heterogeneous catalytic reactions: from the molecular process to the technical system. John Wiley & Sons, 2013.
RJ Kee, FM Rupley, JA Miller, ME Coltrin, JF Grcar, E Meeks, HK Moffat, AE Lutz, G Dixon-Lewis, MD Smooke, and others. Surface Chemkin: CHEMKIN Collection, Release 3.6, (2000). Reaction Design, Inc., San Diego, CA, 2000.
RJ et al. Kee. Chemkin: CHEMKIN Collection, Release 3.6, (2000). Reaction Design, Inc., San Diego, CA, 2000.
RJ et al. Kee. The Chemkin thermodynamic database: CHEMKIN Collection, Release 3.6, (2000). Reaction Design, Inc., San Diego, CA, 2000.
R Lleti, M Cruz Ortiz, Luis A Sarabia, and M Sagrario Sánchez. Selecting variables for k-means cluster analysis by using a genetic algorithm that optimises the silhouettes. Analytica Chimica Acta, 515(1):87–100, 2004.
Duc Truong Pham, Stefan S Dimov, and CD Nguyen. Selection of k in k-means clustering. Proceedings of the Institution of Mechanical Engineers, Part C: Journal of Mechanical Engineering Science, 219(1):103–119, 2005.
Tom Quaiser and Martin Mönnigmann. Systematic identifiability testing for unambiguous mechanistic modeling–application to jak-stat, map kinase, and nf-κb signaling pathway models. BMC systems biology, 3(1):50, 2009.
Peter J Rousseeuw. Silhouettes: a graphical aid to the interpretation and validation of cluster analysis. Journal of computational and applied mathematics, 20:53–65, 1987.
Enrique H Ruspini. Numerical methods for fuzzy clustering. Information Sciences, 2(3):319–350, 1970.
Adrian Sandu. Positive numerical integration methods for chemical kinetic systems. Journal of Computational Physics, 170(2):589–602, 2001.
Robert Tibshirani, Guenther Walther, and Trevor Hastie. Estimating the number of clusters in a data set via the gap statistic. Journal of the Royal Statistical Society: Series B (Statistical Methodology), 63(2):411–423, 2001.
K Zhen Yao, Benjamin M Shaw, Bo Kou, Kim B McAuley, and DW Bacon. Modeling ethylene/butene copolymerization with multi-site catalysts: parameter estimability and experimental design. Polymer Reaction Engineering, 11(3):563–588, 2003.
Ким Эсбенсен. Анализ многомерных данных. Изд-во ИПХФ РАН Черноголовка, 2005.