R. Gani

Publications818
h-index65
Citations15,755
Highly Influential Citations433
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Group-contribution based estimation of pure component properties
New group contribution method for estimating properties of pure compounds
A new group contribution method for the estimation of properties of pure organic compounds is presented. Estimation is performed at two levels: the basic level uses contributions from first-order…
Chemical product design: challenges and opportunities
  • R. Gani
  • Materials Science
    Comput. Chem. Eng.
  • 15 November 2004
Group-Contribution-Based Estimation of Octanol/Water Partition Coefficient and Aqueous Solubility
New methods for the estimation of the octanol/water partition coefficient (Kow) and aqueous solubility (Ws) at ambient temperature are presented. The property values are estimated by using a…
Combined Group-Contribution and Atom Connectivity Index-Based Methods for Estimation of Surface Tension and Viscosity
New methods for estimation of surface tension and viscosity of pure component organic chemicals are presented. The surface tension is estimated at 298 K while the viscosity is estimated at 300 K. For…
A New Decomposition-Based Computer-Aided Molecular/Mixture Design Methodology for the Design of Optimal Solvents and Solvent Mixtures
TLDR
This paper presents a novel computer-aided molecular/mixture design (CAMD) methodology for the design of optimal solvents and solvent mixtures using a mixed integer nonlinear programming (MINLP) model.
An integrated computer aided system for integrated design of chemical processes
A multi-step and multi-level approach for computer aided molecular design
Design and Synthesis of Distillation Systems using a Driving Force Based Approach
Group-contribution+ (GC+) based estimation of properties of pure components: Improved property estimation and uncertainty analysis
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