Molecular Dynamics Studies of Water Flow in Carbon Nanotubes - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Molecular Dynamics Studies of Water Flow in Carbon Nanotubes write by Alexander Douglas Marshall. This book was released on 2012. Molecular Dynamics Studies of Water Flow in Carbon Nanotubes available in PDF, EPUB and Kindle. We present classical molecular dynamics (MD) simulations providing insight into the behaviour of water. We focus on confined water, the properties of which are often significantly di erent from the properties of bulk water. First, we performed several simulations investigating the handling of long-range interactions in GROMACS [34], a MD simulation package. Selection of simulation protocols such as handling of long-range interactions is often overlooked, sometimes to the significant detriment of the final result [10, 79, 80]. Ensuring that the chosen simulation protocols are appropriate is a critical step in computer simulations. Second, we performed MD simulations where water flowed between two reservoirs connected by a carbon nanotube. We analyzed 10 simulations where two types of changes were made to induce flow: The removal of water molecules from one reservoir and the addition of NaCl to one reservoir at one of two concentrations. We study the e ects of these changes in isolation, cooperation and competition.
Carbon Nanotubes as Nanodelivery Systems
Carbon Nanotubes as Nanodelivery Systems - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Carbon Nanotubes as Nanodelivery Systems write by Melvin Choon Giap Lim. This book was released on 2013-05-18. Carbon Nanotubes as Nanodelivery Systems available in PDF, EPUB and Kindle. This book showcases the application of carbon nanotubes as nanodelivery systems for copper atoms, using molecular dynamics simulations as a means of investigation. The nanodelivery system of the carbon nanotube presents the possible usage of the carbon structure in many areas in the future. This book is comprehensive and informative, and serves as a guide for any reader who wishes to perform a molecular dynamics simulation of his own and to conduct an analytical study of a molecular system.
Molecular Dynamics Studies of Simple Model Fluids and Water Confined in Carbon Nanotube
Molecular Dynamics Studies of Simple Model Fluids and Water Confined in Carbon Nanotube - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Molecular Dynamics Studies of Simple Model Fluids and Water Confined in Carbon Nanotube write by Jun Wang. This book was released on 2010. Molecular Dynamics Studies of Simple Model Fluids and Water Confined in Carbon Nanotube available in PDF, EPUB and Kindle.
Fluid Flow Through Carbon Nanotubes
Fluid Flow Through Carbon Nanotubes - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Fluid Flow Through Carbon Nanotubes write by Michael Avon. This book was released on 2009. Fluid Flow Through Carbon Nanotubes available in PDF, EPUB and Kindle. "In this thesis, the flow of fluids through carbon nanotubes was investigated in order to get a better understanding of the unique properties and phenomena of nanofluidics. The previous modeling and simulation efforts were based on diffusion of atoms or molecules that were thrown to the nanotubes with initial velocities. Here, we present molecular dynamics simulations of carbon nanotubes that were embedded in liquid argon. The fluid was pushed through the nanotubes using a moving wall piston of graphene. Single-walled, double-walled, rigid and relaxed nanotubes in different diameters were considered. In order to achieve more continuous flow of fluid through the nanotube, several rounds of pumping were simulated. Pressure difference in different regions was analyzed."--Abstract.
Modeling in Membranes and Membrane-Based Processes
Modeling in Membranes and Membrane-Based Processes - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Modeling in Membranes and Membrane-Based Processes write by Anirban Roy. This book was released on 2020-04-07. Modeling in Membranes and Membrane-Based Processes available in PDF, EPUB and Kindle. The book Modeling in Membranes and Membrane-Based Processes is based on the idea of developing a reference which will cover most relevant and “state-of-the-art” approaches in membrane modeling. This book explores almost every major aspect of modeling and the techniques applied in membrane separation studies and applications. This includes first principle-based models, thermodynamics models, computational fluid dynamics simulations, molecular dynamics simulations, and artificial intelligence-based modeling for membrane separation processes. These models have been discussed in light of various applications ranging from desalination to gas separation. In addition, this breakthrough new volume covers the fundamentals of polymer membrane pore formation mechanisms, covering not only a wide range of modeling techniques, but also has various facets of membrane-based applications. Thus, this book can be an excellent source for a holistic perspective on membranes in general, as well as a comprehensive and valuable reference work. Whether a veteran engineer in the field or lab or a student in chemical or process engineering, this latest volume in the “Advances in Membrane Processes” is a must-have, along with the first book in the series, Membrane Processes, also available from Wiley-Scrivener.
