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Sangyong Lee,Shaunak Potdar,Jae W. Lee 한국화학공학회 2016 Korean Journal of Chemical Engineering Vol.33 No.11
This work presents the determination of both reference chemical potential and temperature-dependent enthalpy changes of gas hydrates using molecular dynamics simulations. We introduced a method incorporating molecular dynamic (MD) simulations to the Lee-Holder distortion model for calculating the reference properties of single component structure II gas hydrates. The guest molecules affect the interaction between adjacent water molecules distorting the hydrate lattice, which requires diverse values of reference properties for different gas hydrates. We performed the simulation to validate the experimental data determining the reference chemical potential as well as the thermal expansivity of unit cell structure for structure II type gas hydrates. All simulations were performed using TIP4P water molecules at the reference temperature and pressure conditions. As an attempt to apply MD simulation to calculate the reference state of gas hydrate, we demonstrate lattice distortion of structure I and II gas hydrates. The reference chemical potential was generally found to increase with the size of the guest molecule. The temperature effect on the unit cell size, which will be used to calculate the enthalpy change of gas hydrate due to temperature, has been observed.
Aakanksha Vatsal,Chirag Potdar,Smita S. Zinjarde,V. Ravi Kumar,Bhasker D. Kulkarni,Ameeta RaviKumar 한국공업화학회 2016 Journal of Industrial and Engineering Chemistry Vol.41 No.-
Use of persistent organobromines for industrial applications has led to their accumulation inenvironment. Yarrowia lipolytica NCIM 3589, a tropical marine yeast, degrades and detoxifiesbromocompounds by an initial hydrolytic step. By optimizing culture conditions with 1-bromodecaneas reference compound, the dehalogenase involved was remarkably enhanced 13-fold (384.13 U/ml) by ahybrid statistical Plackett–Burman and Box–Behnken design of experiments. Studies bring out in a novelway the role of aliasing and other masked interactions in growth media factors. Importantly, the enzymeacted on C3–C16 bromoalkanes and bromoaromatics, thereby generalizing the ‘green chemistry’applicability of optimized media formulation for biotechnological applications.
Carbon Dioxide Reforming of Methane over Ni/CaO/Al₂O₃
Roh, Hyun-Seog,Liu, Zhong-Wen,Potdar, H.S.,Kim, Jae-Woo,Jun, Ki-Won 한국공업화학회 2003 Journal of Industrial and Engineering Chemistry Vol.9 No.6
Ni catalysts supported on CaO-precoated A1₂0₃ were prepared and characterized by BET, XRD and TPR techniques. The Ni/CaO/A1₂O₃ catalysts with various CaO loadings were applied to carbon dioxide refonning of CH₄. All the catalysts showed a fairly good stability but the activity of Ni/CaO/A1₂O₃ depended upon the amount of CaO. Among the catalysts tested, the Ni/CaO/A1₂O₃ catalyst with a Ca/AI ratio of 0.04 exhibited the highest activity and stability. The interaction between Ni and the support was changed with the addition of CaO and the variation of Ca/Al ratio. Based on the characterization results, the promotional effect of CaO on Ni/-Al₂O₃ resulted from (1) the interaction between Ni and CaO, (2) the stabilization of CaO on A1₂O₃; and (3) the strong basicity of CaO. It was suggested that the highly dispersed CaO species are effective to obtain active and stable Ni/CaO/Al₂O₃; catalysts in carbon dioxide reforming of methane.