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COSMO-RS: An ionic liquid prescreening tool for gas hydrate mitigation

Chinese Journal of Chemical Engineering 2016年第11期24卷 1619-1624页

作者： Cornelius B.Bavoh bhajan lal Omar Nashed Muhammad S.Khan Lau K.Keong Mohd.Azmi Bustam Chemical Engineering Department Universiti Teknologi PETRONAS

Recently ionic liquids(ILs) are introduced as novel dual function gas hydrate inhibitors. However, no desired gas hydrate inhibition has been reported due to poor IL selection and/or tuning method. Trial & error as well as selection based on existing literature are the methods currently employed for selecting and/or tuning ILs. These methods are probabilistic, time consuming, expensive and may not result in selecting high performance ILs for gas hydrate mitigation. In this work, COSMO-RS is considered as a prescreening tool of ILs for gas hydrate mitigation by predicting the hydrogen bonding energies(E_(HB)) of studied IL inhibitors and comparing the predicted E_(HB) to the depression temperature(?) and induction time. Results show that, predicted EHBand chain length of ILs strongly relate and significantly affect the gas hydrate inhibition depression temperature but correlate moderately(R = 0.70) with average induction time in literature. It is deduced from the results that, ? increases with increasing IL EHBand/or decreases with increasing chain length. However, the cation–anion pairing of ILs also affects IL gas hydrate inhibition performance. Furthermore, a visual and better understanding of IL/water behavior for gas hydrate inhibition in terms of hydrogen bond donor and acceptor interaction analysis is also presented by determining the sigma profile and sigma potential of studied IL cations and anions used for gas hydrate mitigation for easy IL selection.

关键词： Gas hydrates COSMO-RS Hydrogen bonding energies Ionic liquids Tuning

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Control of Threshold and Gain of Parametric Amplification in Magnetoactive III-V Piezoelectric Semiconductors

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Journal of Modern Physics 2011年第8期2卷 771-779页

作者： bhajan lal P Aghamkar 不详

The effect of doping concentrations and a transverse external magnetostatic field on operational characteristics of parametric amplification of backward Stokes signal has been studied, using hydrodynamic model of semiconductors, in the far infrared regime. The model suggests three achievable resonance conditions: (i) lattice frequency and plasma frequency (ii) stokes frequency and electron-cyclotron frequency (iii) stokes frequency and hybrid (plasma and electron-cyclotron) frequency and these conditions have been utilised, on one hand, to substantially reduce the value of threshold intensity for onset of the parametric amplification and on the other hand, for switching of parametric large positive and negative gain coefficient (i.e. amplification and absorption). For example a strong transverse magnetostatic field 10.0 T with free carrier concentration 1.5 x 1019m-3 enhances the gain by a factor of 103 as in its absence. Results also suggest that a weakly piezoelectric III–V semiconductor duly illuminated by slightly off-resonant not-too-high-power pulsed lasers with pulse duration sufficiently larger than the acoustic phonon lifetime is one of promising hosts for parametric amplifier/frequency converter.

关键词： Parametric Gain Piezoelectricity Magnetostatic Field Doped III-V Semiconductor

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Measurement and correlation of physical properties of aqueous solutions of tetrabutylammonium hydroxide, piperazine and their aqueous blends

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Chinese Journal of Chemical Engineering 2015年第11期23卷 1811-1818页

作者： Rizwan Safdar Abdul Aziz Omar Lukman B.Ismail Arhama Bari bhajan lal Chemical Engineering Department Universiti Teknologi PETRONAS School of Engineering and Physical Science Heriot-Watt University Malaysia

The density,viscosity and refractive index of aqueous solutions of tetrabutylammonium hydroxide(TBAOH),piperazine(PZ) and their aqueous blends are determined at several temperatures(303.15 to 333.15 K).All these measured physicochemical properties decreases with an increase in *** density data is used to calculate the coefficient of thermal expansion and excess molar volume of all aqueous binary and ternary *** coefficient of thermal expansion increases with increase in temperatures and *** negativity of excess molar volume for all the aqueous solution decreased with increase in *** physical property is correlated with temperature by least square method and the corresponding coefficients for each property are *** prediction values from correlations for the physical properties are in good agreement with the experimental values.

关键词： Density ionic liquidsDensityViscosityRefractive index

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