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Editorial overview: Separations engineering: advances in adsorption
Publication date: June 2019Source: Current Opinion in Chemical Engineering, Volume 24Author(s): Gennady Gor, Benoit Coasne (Source: Current Opinion in Chemical Engineering)
Source: Current Opinion in Chemical Engineering - July 19, 2019 Category: Chemistry Source Type: research

Editorial overview: Materials Engineering: Harnessing structural hierarchy in bio-derived/bio-inspired materials for biomedical applications
Publication date: Available online 4 July 2019Source: Current Opinion in Chemical EngineeringAuthor(s): Jeannine M Coburn, David L Kaplan (Source: Current Opinion in Chemical Engineering)
Source: Current Opinion in Chemical Engineering - July 5, 2019 Category: Chemistry Source Type: research

Editorial overview: Frontiers of chemical engineering: Molecular modeling
Publication date: March 2019Source: Current Opinion in Chemical Engineering, Volume 23Author(s): Jim Pfaendtner, Randall Q Snurr, Veronique Van Speybroeck (Source: Current Opinion in Chemical Engineering)
Source: Current Opinion in Chemical Engineering - June 22, 2019 Category: Chemistry Source Type: research

Hybrid hydrogels for biomedical applications
Publication date: Available online 4 June 2019Source: Current Opinion in Chemical EngineeringAuthor(s): Luisa L Palmese, Raj Kumar Thapa, Millicent O Sullivan, Kristi L KiickThe use of hydrogels in biomedical applications dates back multiple decades and the engineering potential of these materials continues to grow with discoveries in chemistry and biology. New approaches have led to increasing complex hydrogels that incorporate both synthetic and natural polymers and functional domains for tunable release kinetics, mediated cell response, and ultimately use in clinical and research applications in biomedical practice. Thi...
Source: Current Opinion in Chemical Engineering - June 5, 2019 Category: Chemistry Source Type: research

Group contribution-based property estimation methods: advances and perspectives
Publication date: March 2019Source: Current Opinion in Chemical Engineering, Volume 23Author(s): Rafiqul GaniThis perspective paper gives a brief overview on the state of the art in group-contribution-based property estimation methods and their further development and use. These are simple methods, easy to use, have some predictive capabilities and are usually considered pragmatic engineering methods developed through representation of molecular structural information, analysis of available property data, and estimations of group contribution terms in the property model functions. The form of representation of molecular st...
Source: Current Opinion in Chemical Engineering - June 1, 2019 Category: Chemistry Source Type: research

The impact of molecular simulations in gas-phase manufacture of nanomaterials
Publication date: March 2019Source: Current Opinion in Chemical Engineering, Volume 23Author(s): Vlasis G Mavrantzas, Sotiris E PratsinisProgress in molecular modeling for aerosol process design during synthesis of nanomaterials is highlighted for understanding, tuning, and eventually engineering their promising (and, often, only partially known) properties. Atomistic molecular dynamics (MD) and Monte Carlo (MC) simulations unravel the fundamentals of the major physicochemical processes dominating the manufacture of these materials, thus facilitating and accelerating their scale-up and process innovation. They reveal, for ...
Source: Current Opinion in Chemical Engineering - June 1, 2019 Category: Chemistry Source Type: research

Gas separation by adsorption: technological drivers and opportunities for improvement
Publication date: June 2019Source: Current Opinion in Chemical Engineering, Volume 24Author(s): Pluton Pullumbi, Federico Brandani, Stefano BrandaniChemical and petrochemical companies are increasingly realizing that their sustainable development critically depends upon development of new innovative processes that use more efficiently materials and energy. As overall separation/purification processes account for 40–60% of capital and operating costs, their amelioration can significantly reduce costs, energy use and waste generation by increasing profits. Gas separation by adsorption technology is a well-established unit ...
Source: Current Opinion in Chemical Engineering - May 29, 2019 Category: Chemistry Source Type: research

Hierarchical structure of bacterial-derived cellulose and its impact on biomedical applications
Publication date: June 2019Source: Current Opinion in Chemical Engineering, Volume 24Author(s): Elizabeth M van Zyl, Jeannine M CoburnSince its discovery in 1886, bacterial-derived cellulose has become a highly researched biomaterial due to its unique structural properties. These properties include fibrous structure and robust stability through immense hydrogen bonding. The hydrogen bonding and resulting hierarchical structure from polymer chains to fibers can be controlled by altering bacteria culture conditions. Low temperature and static culture of cellulose producing microbes lead to the formation of a less stable cell...
Source: Current Opinion in Chemical Engineering - May 19, 2019 Category: Chemistry Source Type: research

Atomistic modeling of the nucleation and growth of pure and hybrid nanoparticles by cluster beam deposition
Publication date: March 2019Source: Current Opinion in Chemical Engineering, Volume 23Author(s): Panagiotis GrammatikopoulosOne great challenge of nanotechnology concerns the design and synthesis of multi-component nanoparticles that beat the properties of their elemental counterparts. Cluster beam deposition (CBD) provides a solvent-free and effluent-free method to achieve nanomaterials with tailored characteristics. However, CBD is hindered by low cluster yield and, often, by limited structural control. In gas-phase methods one cannot inhibit or enhance growth by adding or removing chemical precursors or surfactants; clu...
Source: Current Opinion in Chemical Engineering - May 17, 2019 Category: Chemistry Source Type: research

Nanoparticle growth, coalescence, and phase change in the gas-phase by molecular dynamics
This article gives an overview of recent advances in molecular dynamics simulations for the investigation of particle nucleation, condensation and sintering or coalescence rates in the gas-phase highlighting the effect of particle characteristics, such as crystallinity, at the nanoscale, on end-product properties.Graphical abstract (Source: Current Opinion in Chemical Engineering)
Source: Current Opinion in Chemical Engineering - May 17, 2019 Category: Chemistry Source Type: research

Surface enhanced nuclear magnetic resonance relaxation mechanisms and their significance in chemical engineering applications
Publication date: June 2019Source: Current Opinion in Chemical Engineering, Volume 24Author(s): Brandon E Kinn, Tristan R Myers, Alan M AllgeierRates of nuclear magnetic resonance (NMR) relaxation have been utilized in the characterization of natural and synthetic porous media, effectively providing an alternate form of porosimetry. The physical basis for characterization is the enhancement in relaxation rate associated with fluid surface interactions with contributions from paramagnetism, dipolar coupling and diffusion. While paramagnetism dominates in most geological samples, recent interest has focused on surfaces with ...
Source: Current Opinion in Chemical Engineering - May 16, 2019 Category: Chemistry Source Type: research

Recent experimental and theoretical studies on Al siting/acid site distribution in zeolite framework
Publication date: March 2019Source: Current Opinion in Chemical Engineering, Volume 23Author(s): Sen Wang, Yue He, Weiyong Jiao, Jianguo Wang, Weibin FanThe catalytic performance of zeolite is significantly influenced by the steric constraints and acid property of its active acid sites that resulted from the isomorphous substitution of aluminum (Al) for silicon (Si) in lattice sites. A clear understanding on the relationship of synthesis-Al distribution-catalytic property would be beneficial to the design of zeolite catalyst with desirable acid site distribution for specific reactions. Therefore, recent experimental and t...
Source: Current Opinion in Chemical Engineering - May 14, 2019 Category: Chemistry Source Type: research

Simulations of interfacial processes: recent advances in force field development
Publication date: March 2019Source: Current Opinion in Chemical Engineering, Volume 23Author(s): Siva Dasetty, Paul J Meza-Morales, Rachel B Getman, Sapna SarupriaInterfacial systems are ubiquitous and important to myriad processes of interest such as protein-protein interactions and catalysis of reactions. Investigating interfacial systems at the molecular level presents unique challenges to both experiments and molecular simulations. The challenges in molecular simulations of interfacial systems range from scalability of quantum simulations to transferability of empirical force fields in classical simulations. In this ar...
Source: Current Opinion in Chemical Engineering - May 12, 2019 Category: Chemistry Source Type: research

Recent advances in estimating contact angles using molecular simulations and enhanced sampling methods
Publication date: March 2019Source: Current Opinion in Chemical Engineering, Volume 23Author(s): Hao Jiang, Amish J. PatelThe contact angle between a solid surface and the interface between two coexisting fluids, which characterizes the relative preference of the surface for one fluid over another, plays an important role in many areas of science and technology. In recent years, significant progress has been made in both our understanding of contact angles estimated using molecular simulations, and our ability to perform such estimation with greater accuracy and efficiency. In this review, we highlight recent advances in t...
Source: Current Opinion in Chemical Engineering - May 11, 2019 Category: Chemistry Source Type: research

Synthetic biology for bio-derived structural materials
Publication date: June 2019Source: Current Opinion in Chemical Engineering, Volume 24Author(s): Kevin W Keating, Eric M YoungBiologically derived materials have numerous applications in biomedical fields and beyond. Yet, the properties of these materials are difficult to alter because the natural biosynthetic mechanisms are difficult to elucidate, imitate, or adjust. Thus, many bio-derived materials are isolated from natural tissues, or substitutes are recombinantly produced and then modified ex vivo. A major shift in this paradigm is being driven by the maturing field of synthetic biology, which is innovating a ‘tool bo...
Source: Current Opinion in Chemical Engineering - May 11, 2019 Category: Chemistry Source Type: research