Journal ArticleDOI
Multiscale molecular modeling in nanostructured material design and process system engineering
Maurizio Fermeglia,Sabrina Pricl +1 more
TLDR
A hierarchical procedure for bridging the gap between atomistic and macroscopic modeling passing through mesoscopic simulations will be presented and discussed, and the concept of multiscale (or many scale) modeling will be outlined, and examples of applications of single scale and multiscales procedures for nanostructured systems of industrial interest will been presented.About:
This article is published in Computers & Chemical Engineering.The article was published on 2009-10-14. It has received 77 citations till now. The article focuses on the topics: Multiscale modeling & Mesoscopic physics.read more
Citations
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Drug Discovery Today
TL;DR: A wide range of new lead finding and lead optimization opportunities result from novel screening methods by NMR, which are the topic of this review article.
Journal ArticleDOI
COSMO-RS: An Alternative to Simulation for Calculating Thermodynamic Properties of Liquid Mixtures
TL;DR: This review presents a short delineation of the theory, the application potential and limitations of COSMO-RS, and its most important application areas.
Chemical Engineering Scienceについて
TL;DR: In this article, the authors describe the first year of their first year in English language arts course, where they studied Calculus I, Chemistry I, and Expository Writing.
Journal ArticleDOI
Processing of nanostructured polymers and advanced polymeric based nanocomposites
Laura Peponi,Debora Puglia,Luigi Torre,Luca Valentini,Jose Maria Kenny,Jose Maria Kenny,Jose Maria Kenny +6 more
TL;DR: In this paper, the main processing approaches for nanostructured polymers and nanocomposites starting with a brief review of available nanoparticles and on their functionalization to promote a better polymer-particle interaction are reviewed.
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Computers in Physics
TL;DR: Gordon and Breach as mentioned in this paper discuss computers and their role in the physical sciences, focusing on the role of computers in the development of the physical science community, and present a survey of computer applications.
References
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Journal ArticleDOI
Polymer-layered silicate nanocomposites: preparation, properties and uses of a new class of materials
TL;DR: In this article, a review of polymer-layered silicate nanocomposites is presented, where the polymer chains are sandwiched in between silicate layers and exfoliated layers are more or less uniformly dispersed in the polymer matrix.
Journal ArticleDOI
Dissipative particle dynamics : bridging the gap between atomistic and mesoscopic simulation
TL;DR: In this article, a review of dissipative particle dynamics (DPD) as a mesoscopic simulation method is presented, and a link between these parameters and χ-parameters in Flory-Huggins-type models is made.
Journal ArticleDOI
An assessment of high voltage electron microscopy (HVEM). An invited review
M.H. Loretto,R.E. Smallman +1 more
TL;DR: High voltage electron microscopy (HVEM) has been extensively applied in the field of materials science as discussed by the authors, covering the study of heavy metals, ceramics and minerals, large-scale structures, dynamic processes and radiation damage.
Journal ArticleDOI
Poly(amidoamine) (PAMAM) dendrimers: from biomimicry to drug delivery and biomedical applications
Roseita Esfand,Donald A. Tomalia +1 more
TL;DR: This review focuses on crucial properties of biomimetic dendrimers that will broaden the potential for their use as macromolecular vectors in novel drug delivery and biomedical applications.
Journal ArticleDOI
Dendrimers: relationship between structure and biocompatibility in vitro, and preliminary studies on the biodistribution of 125I-labelled polyamidoamine dendrimers in vivo.
Navid Malik,Ruedeekorn Wiwattanapatapee,R Klopsch,Klaus Lorenz,Holger Frey,J W Weener,E. W. Meijer,W Paulus,Ruth Duncan +8 more
TL;DR: Dendrimers are highly branched macromolecules of low polydispersity that provide many exciting opportunities for design of novel drug-carriers, gene delivery systems and imaging agents but it is clear that dendrimer structure must also be carefully tailored to avoid rapid hepatic uptake if targeting elsewhere (e.g. tumour targeting).
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