We use Brownian dynamics (BD), molecular dynamics, and dissipative particle dynamics to study the phase behavior of diblock copolymer melts and to determine if hydrodynamics is required in the formation of phases with greater than one-dimensional periodicity. We present a phase diagram for diblock copolymers predicted by BD and provide a relationship between the inverse dimensionless temperature epsilon/k(B)T and the Flory-Huggins chi parameter, allowing for a quantitative comparison between methods and to mean field predictions. Our results concerning phase behavior are in good qualitative agreement with the theoretical predictions of Matsen and Bates [M. W. Matsen and F. S. Bates, Macromolecules 29, 1091 (1996)]; however, fluctuation effects arising from finite polymer lengths substantially alter the phase boundaries. Our results pertaining to the hydrodynamics are in contrast to earlier work by Groot et al. [R. D. Groot, T. J. Madden, and D. J. Tildesley, J. Chem. Phys. 110, 9739 (1999); D. Frenkel and B. Smit, Understanding Molecular Simulation, 2nd ed. (Academic, New York, 2001)]. In particular, we obtain the hexagonal ordered cylinder phase with BD, a method that does not include hydrodynamics.
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http://dx.doi.org/10.1063/1.1814976 | DOI Listing |
J Environ Manage
January 2025
College of Environment, Hohai University, Nanjing, 210098, China.
Constructed wetlands (CWs) with low carbon properties represented an effective approach for treating low-polluted water and improving water quality. Here, a research scheme was proposed to achieve maximum operation benefits of the large-scale CWs through parameter identification, operation simulation, evaluation, and analysis of the water quality process. Based on the two-dimensional water hydrodynamic model coupling with the Eco-Lab water quality module (with nutrients), simulation for Bagong hybrid CWs was successfully conducted.
View Article and Find Full Text PDFInt J Mol Sci
January 2025
Department of Food Science & Technology, Seoul Women's University, Seoul 01797, Republic of Korea.
Titanium dioxide (TiO), a white color food additive, is widely used in bakery products, candies, chewing gums, soups, and creamers. Concerns about its potential genotoxicity have recently emerged, particularly following the European Union's ban on its usage as a food additive due to its genotoxicity potential. Conflicting in vitro and in vivo results regarding its genotoxicity highlight the need for further in-depth investigation.
View Article and Find Full Text PDFFood Res Int
February 2025
School of Food Science and Engineering, Guangdong Province Key Laboratory for Green Processing of Natural Products and Product Safety, South China University of Technology, Guangzhou 510640, China; School of Chemical Engineering and Energy Technology, Dongguan University of Technology, College Road 1, Dongguan 523808, China.
Water-in-oil high internal phase emulsions (W/O-HIPEs) typically rely on large amounts of surfactants to disperse water droplets and usually use crystalline saturated triacylglycerides (TAGs) to enhance processing properties. However, these practices conflict with consumer demands for 'natural' ingredients. This study seeks to develop novel crystal fractions similar to saturated TAGs for the preparation of W/O-HIPEs as low-calorie fat mimetics, focusing on their mechanical and mouthfeel properties, which have received little attention thus far.
View Article and Find Full Text PDFEnviron Sci Pollut Res Int
January 2025
Earth Sciences, Engineering Faculty, Autonomous University of San Luis Potosi, Av. Manuel Nava 8, San Luis Potosí, SLP, Mexico.
Ecosystems such as wetlands have karst groundwater as their primary source of preserving their services and functions. Karst systems are complex hydrogeological systems that are difficult to study because of their complicated functioning mechanism, which requires an interdisciplinary effort based on hydrodynamic assessment and characterization of the hydrogeology of the system. The study area is the Ramsar wetland Ciénaga de Tamasopo (Mexico), which is dependent on the discharge of karst groundwater that is affected by water extraction of extensive sugarcane agriculture and is also the main water source for the rural towns.
View Article and Find Full Text PDFJ Food Sci
January 2025
Department of Agricultural and Biological Engineering, University of Florida, Gainesville, Florida, USA.
Dry ice is one of the world's most in-demand commodities for cold-chain distribution of temperature-sensitive products. It offers an effective cooling solution without requiring mechanical refrigeration or specialized equipment. Dry ice is commonly produced as pellets and blocks.
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