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rotational viscosity of a liquid crystal mixture: a fully atomistic molecular dynamics study

Chinese Physics B 2009年第10期18卷 4380-4385页

作者：张然彭增辉刘永刚郑致刚宣丽 State Key Laboratory of Applied Optics Changchun Institute of Optics Fine Mechanics and Physics Chinese Academy of Sciences Graduate School of the Chinese Academy of Sciences

Fully atomistic molecular dynamics （MD） simulations at 293, 303 and 313 K have been performed for the four- component liquid crystal mixture, E7, using the software package Material Studio. Order parameters and orientational time correlation functions （TCFs） were calculated from MD trajectories. The rotational viscosity coefficients （RVCs） of the mixture were calculated using the Nemtsov-Zakharov and Fialkowski methods based on statistical-mechanical approaches. Temperature dependences of RVC and density were discussed in detail. Reasonable agreement between the simulated and experimental values was found.

关键词： rotational viscosity molecular dynamic simulation nematic liquid crystal mixture

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Investigating the Calculation of rotational viscosity of the Mixture Comprising Different Kinds of Liquid Crystals： Molecular Dynamics Computer Simulation Approach

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Chinese Journal of Chemistry 2011年第1期29卷 48-52页

作者： Kim, Jinsoo Jamil, Muhammad Jung, Jae Eun Jang, Jae Eun Farzana, Ahmad Jin, Woo Lee Sang, Woo Park Woo, Min-Kyung Kwak, Ji Yeon Jeon, Young-Jae Liquid Crystal Research Centre Department of Chemistry Konkuk University 143-701 Seoul Korea Division of International Affairs University College Konkuk University 143-701 Seoul Korea Samsung Advanced Institute of Technology (SAID) Yongin-shi Gyeonggi-do 446-712 Korea

Molecular dynamics （MD） computer simulation techniques, as a powerful tool commonly utilized by the liquid crystal display （LCD） community, usually are employed for computing the equilibrium and transport properties of a classical many body system, since they are very similar to real experiments in many respects. In this paper we pre- sent molecular dynamics computer simulation results taken for a mixture of the two different kinds of nematic liq- uid crystals （LCs）. We calculated rotational viscosity from Brownian behavior with friction of the mean director of the mixture comprising pentylcyanobiphenol （5CB） and decylcyanobiphenol （10CB） by using molecular dynamics computer simulation, where intermolecular potential parameter is Generalized AMBER force field （GAFF）. Our computed results show a good agreement with the experimental results.

关键词： liquid crystal mixture ab initio calculations rotational viscosity generalized AMBER force field(GAFF) molecular dynamics simulation nematic liquid crystals computer simulation

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Analysis of Dielectric and Electro-optic Responses of Nanomaterials Doped Ferroelectric Liquid Crystal Mixture

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Journal of Materials Science & Technology 2011年第12期27卷 1094-1098页

作者： Neeraj Pankaj Kumar K.K. Raina Material Research Laboratory School of Physics and Materials Science Thapar University Patiala 147004 India Department of BIN Fusion Technology Chonbuk National University Jeonju Jeonbuk 561-756 Korea Department of Applied Science Chitkara University Jansala Rajpura Patiala-140401 Punjab India

Dielectric and rotational viscosity measurements of a multi-component ferroelectric liquid crystal mixture were performed by adding a small concentration （0.01 wt%） of silica and multi walled carbon nanotubes （MWCNTs）. Liquid crystals turn out to be outstanding hosts for nanomaterials. A remarkable increase in the rotational viscosity was noticed in CNT doped system as compared to silica doped same liquid crystal system. Comparison of dielectric studies shows higher value of permittivity and dielectric losses for silica-doped sample than those of CNT doped sample. The results have been interpreted both experimentally and theoretically.

关键词： Ferroelectric liquid crystals Silica nanoparticles Carbon nanotubes Dielectricpermittivity rotational viscosity

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The Effect of Bio-Oil on High-Temperature Performance of Bio-Oil Recycled Asphalt Binders

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Journal of Renewable Materials 2022年第4期10卷 1025-1037页

作者： Hengcong Zhang Jianmin Wu Zhong Qin Yin Luo Key Laboratory Special Area Highway Engineering of Ministry of Education Chang’an UniversityXi’an710064China

Bio-oil recycled asphalt binders in road engineering can help solve the problem of oil shortage and reduce the environmental pollution and *** paper investigated the road performance of the aged asphalt binder by adding bio-oil so that the aged asphalt binder could be reused to reach purpose of *** residual soybean oil was selected as rejuvenator and blended with aged asphalt binder at 0%,2%,4%,and 6%,*** results showed that bio-oil increased the penetration of aged asphalt binder,the penetration of bio-oil recycled asphalt binder with a bio-oil content of 6%reached the standard of 70#matrix asphalt *** addition of bio-oil reduced the viscosity,mixing and compaction temperature of aged asphalt *** a common knowledge,bio-oil helps to increase the lightweight components of the aged asphalt binder,which diminishes the high-temperature rutting resistance of bio-oil recycled asphalt *** high-temperature deformation resistance of bio-oil recycled asphalt binders had not decreased linearly with the bio-oil ***,the hightemperature performance of the bio-oil recycled asphalt binder with a 6%bio-oil was superior to matrix asphalt ***-oil increased the light components of the aged asphalt binder,thus reducing the high-temperature rheological properties of bio-oil recycled asphalt binders as the bio-oil dosage *** above test results showed that the bio-oil could restore the aged asphalt binder to the initial level to reach the reuse target.

关键词： Bio-oil bio-oil recycled asphalt rotational viscosity rheological property

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Characterization of recycled crumb rubber modified binders containing wax warm additives

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Journal of Traffic and Transportation Engineering(English Edition) 2018年第3期5卷 197-206页

作者： Hyun Hwan Kim Mithil Mazumder Soon-Jae Lee Moon-Sup Lee Department of Engineering Technology Texas State University San Marcos TX 78666 USA Materials Science Engineering and Commercialization Program Texas State University San Marcos TX 78666 USA Korea Institute of Civil Engineering and Building Technology Goyang-si Gyeonggi-do 10223 Republic of Korea

This paper addresses the laboratory experiment of performance properties of recycled CRM binders containing artificially aged CRM binders with wax additives. The warm CRM binders were produced using two wax additives （LEADCAP and Sasobit） and then shortterm and long-term aged using the rolling thin film oven （RTFO） and pressure aging vessel （PAV） procedures. The recycled CRM binders were aged through the RTFO and PAV pro- cedures. A set of Superpave binder tests were carried out on the binders through the rotational viscometer, the dynamic shear rheometer （DSR）, and the bending beam rheometer （BBR）. In general, the results of this study indicated that （1） the addition of longterm aged （LTA） CRM binder can significantly increase the viscosity of the recycled CRM binders as expected, （2） the wax additives in recycled CRM binders were still effective to improve the viscosity and rutting properties even after experiencing the aging process, （3） the CRM binders containing wax additives showed the higher rutting resistance compared to the control CRM binders, （4） the recycled CRM binder containing wax additives was found to have less resistance to fatigue and low temperature cracking, （5） wax warm additives into the recycled CRM binders seemed to have a significant role for cracking properties, based upon their substantial amount.

关键词： CRM binder Wax additives rotational viscosity Recycling Rutting

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