Search results for "ta214"
showing 5 items of 55 documents
Bilevel heat exchanger network synthesis with an interactive multi-objective optimization method
2012
Abstract Heat exchanger network synthesis (HENS) has been an active research area for more than 40 years because well-designed heat exchanger networks enable heat recovery in process industries in an energy- and cost-efficient manner. Due to ever increasing global competition and need to decrease the harmful effects done on the environment, there still is a continuous need to improve the heat exchanger networks and their synthesizing methods. In this work we present a HENS method that combines an interactive multi-objective optimization method with a simultaneous bilevel HENS method, where the bilevel part of the method is based on grouping of process streams and building aggregate streams …
Crystal Structures and Density Functional Theory Calculations of o-and p-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and aromatic i…
2013
The interplay of strong and weak hydrogen bonds, dipole–dipole interactions, and aromatic interactions of o- and p-nitroaniline derivatives was studied by combining crystal structure analysis and density functional theory (DFT) calculations. Crystal structures of four 2-nitroaniline derivatives, 2-((2-nitrophenyl)amino)ethyl methanesulfonate (1A), 2-((2-nitrophenyl)amino)ethyl 4-methylbenzenesulfonate (2A), N,N′-((1,3-phenylenebis(oxy))bis(ethane-2,1-diyl))bis(2-nitroaniline) (3A), and N-(2-chloroethyl)-2-nitroaniline (4A), and crystal structures of three 4-nitroaniline derivatives, 2-((4-nitrophenyl)amino)ethyl methanesulfonate (1B), 2-((4-nitrophenyl)amino)ethyl 4-methylbenzenesulfonate (…
Evidence of Weak Halogen Bonding: New Insights on Itraconazole and its Succinic Acid Cocrystal
2012
Exact knowledge of the crystal structure of drugs and lead compounds plays a significant role in the fields of crystal engineering, docking, computational modeling (drug–receptor interactions), and rational design of potent drugs in pharmaceutical chemistry. The succinic acid cocrystal of the systemic antifungal drug, itraconazole, reported by Remenar et al. (J. Am. Chem. Soc.2003, 125, 8456–8457) (CSD: IKEQEU), represents one of the classical examples displaying a molecular fitting mechanism in the solid state. In this work, we disclose the X-ray single-crystal structure of the cis-itraconazole–succinic acid (2:1) cocrystal and found that it differs slightly from the previously reported st…
Swelling of cellulose fibres in composite materials: Constraint effects of the surrounding matrix
2013
Swelling of cellulose fibres in composite materials : Constraint effects of the surrounding matrix
Long-range spin accumulation from heat injection in mesoscopic superconductors with Zeeman splitting
2015
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