Relevant Publications

Surrogate-based optimization of expensive flowsheet models for continuous pharmaceutical manufacturing

Journal of Pharmaceutical Information 2013

F. Boukouvala F.J. Muzzio M.G. Ierapetritou

Simulation-based optimization is a research area that is currently attracting a lot of attention in many industrial applications, where expensive simulators are used to approximate, design, and optimize real systems. Pharmaceuticals are typical examples of high-cost products which involve expensive…

Reduced order Discrete Element Method (DEM) modeling

Chemical Engineering Science 2013

F. Boukouvala F.J. Muzzio M.G. Ierapetritou Y. Gao

Reduced-order modeling (ROM) techniques are playing a very significant role in the recent literature bridging the gap between computationally expensive simulators and their application in optimization and control of distributed parameter systems. In modeling of solid-based processes, Discrete Element Method…

Improving continuous powder blending performance using Projection to Latent Structures regression

Journal of Pharmaceutical Innovation 2013

Y. Gao F. Boukouvala W. Englisch W. Meng F.J. Muzzio M.G. Ierapetritou

Purpose There has been increasing interest in the last few years especially within the pharmaceutical industry towards continuous powder blending. In this paper, the effects of different design and operating parameters are investigated, which include blade speed, shaft angle, weir…

Improving coating uniformity in pharmaceutical tablets: A QbD approach

AAPS PharmSciTech 2012

A. Dubey F. Boukouvala G. Keyvan R. Hsia K. Saranteas D. Brone M.G. Ierapetritou F.J. Muzzio

A combination of analytical and statistical methods is used to improve a tablet coating process guided by quality by design (QbD) principles. A solid dosage form product was found to intermittently exhibit bad taste. A suspected cause was the variability…

Feasibility analysis of black-box processes using an adaptive sampling kriging-based method

Computers & Chemical Engineering 2012

F. Boukouvala F.J. Muzzio M.G. Ierapetritou

This paper presents a new approach for performing feasibility analysis over a multivariate factor space when the explicit form of a process model is lacking or when its evaluation is expensive. Specifically, two issues are addressed: feasibility evaluation of black-box…

Computational Approaches for Studying the Granular Dynamics of Continuous Blending Processes, 2 – Population Balance and Data-Based Methods

Macromolecular Materials and Engineering 2012

F. Boukouvala A. Dubey A. Vanarase R. Ramachandran F.J. Muzzio M.G. Ierapetritou

The application of computationally inexpensive modeling methods for a predictive study of powder mixing is discussed. A multidimensional population balance model is formulated to track the evolution of the distribution of a mixture of particle populations with respect to position…

Feasibility analysis of black- box processes using an adaptive sampling kriging-based method

Computer-Aided Chemical Engineering (Proceedings of European Symposium of Computer-Aided Process Engineering 21) 2011

F. Boukouvala MG Ierapetritou

Accurate knowledge of the effect of parameter uncertainty on process performance is vital for optimal and feasible operation. The objective of this work is to develop a systematic methodology for performing feasibility analysis over a multivariate factor space when the…

Dynamic Data-Driven Modeling of Pharmaceutical Processes

Industrial Engineering & Chemistry Research 2011

F. Boukouvala F.J. Muzzio M.G. Ierapetritou

In many pharmaceutical process operations, first-principle models describing the behavior of the processed powders are difficult to derive or computationally very expensive and thus can be considered as “black-box” processes. Kriging is an efficient data-driven methodology that has been shown…

Design Space of pharmaceutical processes using data-driven based methods

Journal of Pharmaceutical Innovation 2010

F. Boukouvala F.J. Muzzio M.G. Ierapetritou

Introduction The identification and graphical representation of process design space are critical in locating not only feasible but also optimum operating variable ranges and design configurations. In this work, the mapping of the design space of pharmaceutical processes is achieved…

Predictive modeling of pharmaceutical processes with missing and noisy data

AIChE Journal 2010

M.G. Ierapetritou F.J. Muzzio F. Boukouvala

Lack of knowledge of the first principles, that describe the behavior of processed particulate mixtures, has created significant attention to data-driven models for characterizing the performance of pharmaceutical processes—which are often treated as black—box operations. Uncertainty contained in the experimental…

Relevant Presentations

Data-Centric Optimization: Methods and Applications

2015 AIChE Annual Meeting in Exhibit Hall 1 (Salt Palace Convention Center)

November 08, 2015

F. Boukouvala

As an engineering community we have been working towards developing detailed mathematical simulation models which accurately capture the behavior of complex systems. This trend is reinforced by our drive to couple multiscale information which ranges from the atomistic and molecular…

Constrained Grey-Box Global Optimization of High Dimensional Problems

2015 AIChE Annual Conference in Salon F (Salt Lake Marriott Downtown at City Creek)

November 11, 2015 at 12.55

C.A. Floudas F. Boukouvala

The use of deterministic global optimization methods based on analytical C2 functions is prohibitive in a large portion of engineering applications which have one or multiple of the following characteristics: (a) high computational cost which implies that the calculation of derivatives…

Mathematical Modeling and Global Optimization for Entire Petrochemical Planning Operations

2014 AIChE Annual Meeting in Atlanta

November 20, 2014

J. Lie F. Boukouvala X. Xiao C.A. Floudas

In the last twenty years, the petrochemical industry has succeeded by creating markets and supplying them with suitable products used to create goods such as plastics, cosmetics, lubricants, and paints. Petrochemical production begins in a refinery that separates crude oils…

From Experimental Data to Building Integrated Dynamic Flowsheet Models for Pharmaceutical Processes

2012 AIChE Annual Conference in Pittsburgh

October 29, 2012

F. Boukouvala F.J. Muzzio M.G. Ierapetritou

FDA harmonization guidelines [1] aim to promote building quality into design of pharmaceutical processes through mechanistic understanding of powder process behavior. Based on this paradigm, the industry is moving with a fast pace towards a model-based process and product design,…

Multivariate Analysis and Reduced Order Modeling Based On Discrete Element Method (DEM) Simulations for a Powder Blender

AIChE Annual Meeting in Minneapolis

October 20, 2011

Y. Gao F. Boukouvala F.J. Muzzio M.G. Ierapetritou

In this work, a set of Discrete Element Method (DEM) simulations are performed based on a computer experimental design for the qualitative and quantitative characterization of a periodic section of a powder blender. Mixing of powders is a crucial operation…

Application of Kriging for dynamic data- driven modeling of pharmaceutical processes

AIChE Annual Meeting in Salt Lake City

November 11, 2010

F. Boukouvala F.J. Muzzio M.G. Ierapetritou

In emergent technologies it is very common that a functional form for the input-output relationships is unavailable and the process behavior is symbolically described using black-box models. This is the case for many pharmaceutical process operations, for which first-principles models…

Design Space of pharmaceutical processes using data-driven based methods

AIChE Annual Meeting in Salt Lake City

November 08, 2010

F. Boukouvala F.J. Muzzio M.G. Ierapetritou

The identification and graphical representation of process design space is very critical in locating not only feasible but also optimum operating variable ranges and design configurations. Design space of a process is the area of the parametric space within which…

Predictive modeling of pharmaceutical processes with missing and noisy data

2009 AIChE Annual Meeting in Nashville

November 12, 2009

F. Boukouvala F.J. Muzzio M.G. Ierapetritou

Current trends in pharmaceutical product development focus on the fundamental understanding and characterization of all process unit operations, which will lead to the development of predictive models in order to minimize the variability in product performance. The pharmaceutical industry is…

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