Results 71 to 80 of about 45,497 (307)

Predictions of homogeneous nucleation rates for $n$-alkanes accounting for the diffuse phase interface and capillary waves

, 2017
Homogeneous droplet nucleation has been studied for almost a century but has not yet been fully understood. In this work, we used the density gradient theory (DGT) and considered the influence of capillary waves (CW) on the predicted size-dependent ...
Hrubý, Jan, Planková, Barbora, Vinš, Václav   +2 more
core   +1 more source

Charge Injection and Transport in an Isoindigo‐Based Polymer Transistor

Advanced Electronic Materials, EarlyView.
This study presents the charge injection and transport properties of field‐effect transistors based on an isoindigo‐bithiophene donor‐acceptor polymer semiconductor contacted with thiolated self‐assembled monolayer (SAM)‐functionalized electrodes. Temperature‐dependent contact characteristics are measured and simulated.
Zuchong Yang, Daniele Zucchelli, Melissa Berteau‐Rainville, Qi Wang, Sydney Mikulin, Ingo Salzmann, Steffen Duhm, Fabrizio Torricelli, Emanuele Orgiu   +8 more
wiley   +1 more source

A Multiscale Approach for the Characterization and Crystallization of Eflucimibe Polymorphs: from Molecules to Particles [PDF]

, 2011
We present in this paper a generic multiscale methodology for the characterization and crystallization of eflucimibe polymorphs. The various characterization techniques used have shown that eflucimibe polymorphism is due to a conformational change of the
Biscans, Béatrice, Teychené, Sébastien   +1 more
core   +2 more sources

Advances in Thermoelectric Thin Films Grown by Atomic Layer Deposition: A Critical Review of Performance and Challenges

Advanced Energy Materials, EarlyView.
This review highlights the use of atomic layer deposition (ALD) for fabricating thermoelectric thin films with atomic‐scale control. Four material classes—chalcogenides, doped oxides, ternary oxides, and multilayered structures—are compared in terms of growth dynamics, structure–property relationships, and thermoelectric performance. The precise tuning
Jorge Luis Vazquez‐Arce, Dong‐Ho Shin, Shuyue Yao, Shiyang He, Kornelius Nielsch, Amin Bahrami   +5 more
wiley   +1 more source

Direct numerical simulation of ammonia spray combustion ignited by n-heptane flame under high-pressure conditions

Applications in Energy and Combustion Science
Ammonia is considered as a promising clean and sustainable alternative fuel in internal combustion engines, and ammonia/diesel direct dual fuel stratification (DDFS) engines have attracted extensive research interests.
Qian Meng, Haiou Wang, Ziwei Huang, Kun Luo, Jianren Fan   +4 more
doaj   +1 more source

THE RELATIONSHIP BETWEEN THE STRUCTURE OF PHASE EQUILIBRIUM DIAGRAM AND THE STRUCTURE OF FLOWSHEET DIAGRAMS OF MULTIPHASE QUATERNARY MIXTURES SEPARATION

Тонкие химические технологии, 2016
In this work the structures of phase equilibrium diagrams of multiphase four-component systems n-hexane (n-heptane, n-octane) - cyclohexane - furfural - water were investigated.
A. Yu. Sebyakin, A. K. Frolkova
doaj   +1 more source

Mechanism reduction for multicomponent surrogates: a case study using toluene reference fuels

, 2014
Strategies and recommendations for performing skeletal reductions of multicomponent surrogate fuels are presented, through the generation and validation of skeletal mechanisms for a three-component toluene reference fuel.
Niemeyer, Kyle E, Sung, Chih-Jen
core   +1 more source

Experimental and modeling study of the autoignition of 1-hexene/iso-octane mixtures at low temperatures [PDF]

, 2005
Autoignition delay times have been measured in a rapid compression machine at Lille at temperatures after compression from 630 to 840 K, pressures from 8 to 14 bar, \Phi = 1 and for a iso octane/1 hexene mixture containing 82% iso-octane and 18% 1 hexene.
Barbé, Battin-Leclerc, Benson, Buda, Callahan, Ciajolo, Clarkson, Curran, Curran, F. Battin-Leclerc, Fieweger, G. Vanhove, Glaude, Glaude, Gray, Heyberger, Heyberger, Klotz, Lee, Minetti, Minetti, Minetti, Minetti, Muller, P.A. Glaude, R. Fournet, R. Minetti, S. Touchard, Stark, Touchard, Vanhove, Warth, Westbrook, Yahyaoui   +33 more
core   +3 more sources

Energy‐Efficient and Sustainable Design Optimization for Ternary Mixture Separation: A Comparative Analysis of Sequential Iterative Optimization and Non‐Dominated Sorting Genetic Algorithm II

Asia-Pacific Journal of Chemical Engineering, EarlyView.
ABSTRACT This study presents a comparative analysis of two optimization approaches: Sequential Iterative Optimization (SIO) and Non‐dominated Sorting Genetic Algorithm II (NSGA‐II) applied to the separation of ternary mixtures (1‐butanol, isobutanol, and 2‐butanol) using Dual‐Column Distillation (DCD) and Dividing‐Wall Column (DWC) processes. Through a
Ruijie Wang, Xinlan Weng, Xiaoxin Gao, Zhimeng Wang, Xiaoyu Kang, Zeyang Li   +5 more
wiley   +1 more source

Performance of ab initio and density functional methods for conformational equilibria of CnH2n+2 alkane isomers (n=2-8)

, 2009
Conformational energies of n-butane, n-pentane, and n-hexane have been calculated at the CCSD(T) level and at or near the basis set limit. Post-CCSD(T) contribution were considered and found to be unimportant.
Adamo C., Allinger N. L., Ayala P. Y., Balabin R. M., Balabin R. M., Becke A. D., Becke A. D., Becke A. D., Boese A. D., Bomble Y. J., Császár A. G., Dunning T. H., Frisch M. J., Goto H., Grimme S., Grimme S., Grimme S., Grimme S. J., Grimme S. J., Hamprecht F. A., Harding M. E., Herrebout W. A., Jensen F., Jensen F., Jurecka P., Karton A., Karton A., Karton A., Karton A., Kendall R. A., Klauda J. B., Kállay M., Lee C., Martin J. M. L., Martin J. M. L., Martin J. M. L., Martin J. M. L., Martin J. M. L., Martin J. M. L., Perdew J. P., Perdew J. P., Perdew J. P., Perdew J. P., Pitzer K. S., Pitzer K. S., Salam A., Schwabe T., Smith G. D., Stephens P. J., Szabados A., Tajti A., Tarnopolsky A., Tasi G., Tasi G., Tsuzuki S., Zhao Y., Zhao Y., Zhao Y., Zhao Y.   +58 more
core   +1 more source