30 MAY 2016 | SEMINAR

Physical Properties Needs for the 21st Century Databases, Models and Uncertainty

Marco A. Satyro
Clarkson University, Potsdam, NY, USA

Physical property calculations are at the core of process design, process simulation and process optimization. These activities are normally executed within a process simulation environment and users are presented with a highly polished, “pasteurized” environment where exceptionally complex calculations involving thermodynamic models proceed with little or no actual understanding from the user related to the models or the data mused to develop the models used in the computations.

Notwithstanding advanced materials and advanced models required to simulate such materials, common, apparently well understood substances and mixtures are now being processed under very high pressures and temperatures, stressing existing thermodynamic models and moving us towards areas where little is known a‐priori about the quality of the models or the underlining data. In this paper we examine the interplay between databases, models, the uncertainty in the thermodynamic data and the consequent uncertainty on calculated thermodynamic properties and what would be the desired characteristics of models to be developed in the future where quality assurance parameters are built in the model development from the ground up with the aim of developing introspective software systems that can provide the user with estimates about the quality of values it computes.

Personal bio of Marco A. Satyro

Marco graduated from the Polytechnic School of the University of Sao Paulo as a Chemical Engineer in 1984 and earned a Ph.D. from the University of Calgary in 1997. Marco moved to Calgary in 1988 to work for Hyprotech where he specialized on fluid phase thermodynamics, physical property estimation and distillation. Marco worked on the development of the simulators Hysim and Hysys and was the main developer and the original designer of the programs Hyprop and Hycon (Distil), respectively. Marco is one of the original founders of Virtual Materials Group, a process simulation, thermodynamic software and engineering consulting services provider based in Calgary established in 1999 (www.virtualmaterials.com). At VMG Marco helped design the property package system VMGThermo where he was responsible for the research, development and implementation of new equations of state and physical property calculations. Marco also served as Chief Technology Officer, Chief Executive Officer and was named Senior Engineering Fellow in 2012.

At VMG Marco developed new methods for the calculation of thermodynamic equilibrium for natural gas mixtures, oils, bitumen and mixtures of bitumen and solvents. In addition to methods focused on hydrocarbon system simulations Marco developed general property packages for the chemical industry such as water solubility estimation, urea, aromatic solvent extraction, alkanolamines, supercritical fluid extraction and physical solvents used for gas treatment, amongst many other packages. As Engineering Fellow Marco pursued the development of new equations of state for the simulation of hydrocarbon systems and estimation methods for physical property computations with emphasis on embedded quality control and uncertainty estimation on calculated values. Marco also provided high level expertise to VMG’s executive on technology and technology as applied to the engineering software business.

Marco lectured on Thermodynamics, Separations and Process Design at the University of Calgary from 2006 to 2011 where he was the first Dr. A.H. Younger Chair in Hydrocarbon processing. He has published over 42 papers on peer reviewed journals with over 10 invited lectures in international conferences, 60 conference presentations and contributions to several book chapters on physical property correlation and hydrocarbon characterization. Marco is a member of APEGA, AIChE, ACS and a frequent reviewer for the major chemical engineering journals and publishers as well as national and international research funding agencies. Marco is a Professor of Chemical Engineering at the Chemical and Biomolecular Engineering Department at Clarkson University (www.clarkson.edu) in Potsdam, New York. Marco’s current interest are applied thermodynamics, equation of state development, process simulation, uncertainty applied to process and equipment design and teaching. Marco serves on the board of directors of Virtual Materials Group, and on the editorial boards of Fuel Processing Technology and the Journal of Natural Gas Engineering. Marco was named Professor of the Year in Chemical Engineering at the University of Calgary in 2010 and Omega Chi Epsilon Society Professor of the Year in Chemical Engineering at Clarkson University in 2016.


Date: 30 MAY 2016
Time: 11 am

Prédio Semi-Industrial, 2º. andar
Auditório (LAREX)
Av. Prof. Luciano Gualberto, Trav. 3, Nº 380
Dep. of Chemical Engineering  – POLI -USP
05508-900, São Paulo – SP, Brazil

E-mail: rcgi@usp.br
Phone: +55 11 3091-5646