This book presents recent advances in computational methods for polymers. It covers multiscale modeling of polymers, polymerization reactions, and polymerization processes as well as control, monitoring, and estimation methods applied to polymerization processes. It presents theoretical insights gained from multiscale modeling validated with exprimental measurements. The book consolidates new computational tools and methods developed by academic researchers in this area and presents them systematically. The book is useful for graduate students, researchers, and process engineers and managers
Many systems of academic and industrial interest are examples of soft condensed matter: they exhibit...
This review discusses several computational methods used on different length and time scales for the...
This review discusses several computational methods used on different length and time scales for the...
The mechanical and physical properties of polymeric materials originate from the interplay of phenom...
© Published under licence by IOP Publishing Ltd. A set of algorithms for determining the averaged mo...
Polymers are composed of macrospecies that are characterized by a broad range of molecular variation...
The study of polymer-based composites is a challenging multiscale problem, involving multiple time a...
This reprint is a compilation of nine papers published in Processes, in a Special Issue on “Modeling...
In this chapter electronic structure computational approaches can be used to predict the kinetics of...
This thesis investigates the physics of various polymeric systems via the tool of computer simulatio...
The stochastic nature of polymerization processes often leads to a mixture of chain populations with...
The field of what is now referred to as polymer reaction engineering started in the early 1930s with...
We develop novel parallel algorithms that allow molecular dynamics simulations in which byproduct mo...
Polymer simulations can be performed at many different length scales by using techniques ranging fro...
Polymeric materials display distinguished characteristics which stem from the interplay of phenomena...
Many systems of academic and industrial interest are examples of soft condensed matter: they exhibit...
This review discusses several computational methods used on different length and time scales for the...
This review discusses several computational methods used on different length and time scales for the...
The mechanical and physical properties of polymeric materials originate from the interplay of phenom...
© Published under licence by IOP Publishing Ltd. A set of algorithms for determining the averaged mo...
Polymers are composed of macrospecies that are characterized by a broad range of molecular variation...
The study of polymer-based composites is a challenging multiscale problem, involving multiple time a...
This reprint is a compilation of nine papers published in Processes, in a Special Issue on “Modeling...
In this chapter electronic structure computational approaches can be used to predict the kinetics of...
This thesis investigates the physics of various polymeric systems via the tool of computer simulatio...
The stochastic nature of polymerization processes often leads to a mixture of chain populations with...
The field of what is now referred to as polymer reaction engineering started in the early 1930s with...
We develop novel parallel algorithms that allow molecular dynamics simulations in which byproduct mo...
Polymer simulations can be performed at many different length scales by using techniques ranging fro...
Polymeric materials display distinguished characteristics which stem from the interplay of phenomena...
Many systems of academic and industrial interest are examples of soft condensed matter: they exhibit...
This review discusses several computational methods used on different length and time scales for the...
This review discusses several computational methods used on different length and time scales for the...