In recent years chemical engineers have become increasingly involved in the design and synthesis of new materials and products as well as the development of biological processes and biomaterials. Such applications often demand that product properties be controlled with precision. Molecular modeling, simulating chemical and molecular structures or processes by computer, aids scientists in this endeavor. Volume 28 of Advances in Chemical Engineering presents discussions of theoretical and computational methods as well as their applications to specific technologies.

We are at a critical evolutionary juncture in the research and development of low-temperature plasmas, which have become essential to synthesizing and processing vital nanoscale materials. More and more industries are increasingly dependent on plasma technology to develop integrated small-scale devices, but physical limits to growth, and other challenges, threaten progress. Plasma Processing of Nanomaterials is an in-depth guide to the art and science of plasma-based chemical processes used to synthesize, process, and modify various classes of nanoscale materials such as nanoparticles, carbon nanotubes, and semiconductor nanowires. Plasma technology enables a wide range of academic and industrial applications in fields including electronics, textiles, automotives, aerospace, and biomedical. A prime example is the semiconductor industry, in which engineers revolutionized microelectronics by using plasmas to deposit and etch thin films and fabricate integrated circuits. An overview of progress and future potential in plasma processing, this reference illustrates key experimental and theoretical aspects by presenting practical examples of: Nanoscale etching/deposition of thin films Catalytic growth of carbon nanotubes and semiconductor nanowires Silicon nanoparticle synthesis Functionalization of carbon nanotubes Self-organized nanostructures Significant advances are expected in nanoelectronics, photovoltaics, and other emerging fields as plasma technology is further optimized to improve the implementation of nanomaterials with well-defined size, shape, and composition. Moving away from the usual focus on wet techniques embraced in chemistry and physics, the author sheds light on pivotal breakthroughs being made by the smaller plasma community. Written for a diverse audience working in fields ranging from nanoelectronics and energy sensors to catalysis and nanomedicine, this resource will help readers improve development and application of nanomaterials in their own work. About the Author: R. Mohan Sankaran received the American Vacuum Society’s 2011 Peter Mark Memorial Award for his outstanding contributions to tandem plasma synthesis.

Molecular Dynamics is a two-volume compendium of the ever-growing applications of molecular dynamics simulations to solve a wider range of scientific and engineering challenges. The contents illustrate the rapid progress on molecular dynamics simulations in many fields of science and technology, such as nanotechnology, energy research, and biology, due to the advances of new dynamics theories and the extraordinary power of today's computers. This second book begins with an introduction of molecular dynamics simulations to macromolecules and then illustrates the computer experiments using molecular dynamics simulations in the studies of synthetic and biological macromolecules, plasmas, and nanomachines. Coverage of this book includes: Complex formation and dynamics of polymers Dynamics of lipid bilayers, peptides, DNA, RNA, and proteins Complex liquids and plasmas Dynamics of molecules on surfaces Nanofluidics and nanomachines

Describing non-equilibrium "cold" plasmas through a chemical physics approach, this book uses the state-to-state plasma kinetics, which considers each internal state as a new species with its own cross sections. Extended atomic and molecular master equations are coupled with Boltzmann and Monte Carlo methods to solve the electron energy distribution function. Selected examples in different applied fields, such as microelectronics, fusion, and aerospace, are presented and discussed including the self-consistent kinetics in RF parallel plate reactors, the optimization of negative ion sources and the expansion of high enthalpy flows through nozzles of different geometries. The book will cover the main aspects of the state-to-state kinetic approach for the description of nonequilibrium cold plasmas, illustrating the more recent achievements in the development of kinetic models including the self-consistent coupling of master equations and Boltzmann equation for electron dynamics. To give a complete portrayal, the book will assess fundamental concepts and theoretical formulations, based on a unified methodological approach, and explore the insight in related scientific problems still opened for the research community.