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Computer-aided molecular design in the continuous-molecular targeting framework using group-contribution PC-SAFT

M. Lampe, M. Stavrou, J. Schilling, E. Sauer, J. Groß, and A. Bardow. Special Issue: Selected papers from the 8th International Symposium on the Foundations of Computer-Aided Process Design (FOCAPD 2014) : July 13-17, 2014, Cle Elum, Washington, USA, 81, page 278-287. Amsterdam, Elsevier, (2015)
DOI: 10.1016/j.compchemeng.2015.04.008

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Univ. -Prof. Dr. -Ing. Alexander Sauer University of Stuttgart

Alexander Sauer

PD Dr. Elmar Buchner University of Stuttgart

Colin Sauerzapf University of Stuttgart

Ralf Sauerwald University of Stuttgart

Other publications of authors with the same name

An improved group contribution method for PC-SAFT applied to branched alkanes: Data analysis and parameterizationM. Jaber, W. Babe, E. Sauer, J. Groß, R. Lugo, and J. de Hemptinne. Fluid phase equilibria, (2018)Guide to efficient solution of PC-SAFT classical Density Functional Theory in various Coordinate Systems using fast Fourier and similar TransformsR. Stierle, E. Sauer, J. Eller, M. Theiss, P. Rehner, P. Ackermann, and J. Gross. Fluid Phase Equilibria, (2020)Classical Density Functional Theory for Liquid-Fluid Interfaces and Confined Systems: A Functional for the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of StateE. Sauer, and J. Gross. Industrial & engineering chemistry research, 56 (14): 4119-4135 (2017)Prediction of Contact Angles and Density Profiles of Sessile Droplets Using Classical Density Functional Theory Based on the PCP-SAFT Equation of StateE. Sauer, A. Terzis, M. Theiss, B. Weigand, and J. Gross. Langmuir, 34 (42): 12519-12531 (2018)Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution TheoryE. Sauer, and J. Gross. Langmuir, 35 (36): 11690--11701 (August 2019)Characterisation of acid-base surface free energy components of urea-water solutionsA. Terzis, E. Sauer, G. Yang, J. Gross, and B. Weigand. Colloids and Surfaces a-Physicochemical and Engineering Aspects, (2018)A new dispersion contribution based on the PCP-SAFT equation of state in the framework of classical density functional theoryE. Sauer. Universität Stuttgart, Stuttgart, Dissertation, (2019)Prediction of Contact Angles and Density Profiles of Sessile Droplets Using Classical Density Functional Theory Based on the PCP-SAFT Equation of StateE. Sauer, A. Terzis, M. Theiss, B. Weigand, and J. Groß. Langmuir, 34 (42): 12519-12531 (2018)Guide to efficient solution of PC-SAFT classical Density Functional Theory in various Coordinate Systems using fast Fourier and similar TransformsR. Stierle, E. Sauer, J. Eller, M. Theiss, P. Rehner, P. Ackermann, and J. Groß. Fluid Phase Equilibria, (2020)Prediction of Adsorption Isotherms and Selectivities : Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution TheoryE. Sauer, and J. Groß. Langmuir, 35 (36): 11690-11701 (2019)