Plasma thermal gasification can be one of the most relevant and environmentally friendly technologies for waste treatment and has gained interest for its use in thethermos-conversion of biomass. In this perspective, the objective of this study is to evaluate the gasification of sugarcane bagasse by studying the effective areas of operation of this process and to establish a comparison with conventional autothermal gasification. A thermochemical equilibrium model was used to calculate the indicators that characterize the performance of the process on its own and integrated with a combined cycle. As a result, it was obtained that plasma and gasification of bagasse is technically feasible for the specific net electrical production of 4 MJ with 30 % electrical efficiency, producing a gas with higher calorific value than autothermal gasification. The operating points where the electrical energy production and the cold gas efficiency reach their highest values were determined; then the effects of the operational parameters on these performance indicators were analyzed.

Forest is the main carbon sink of terrestrial ecosystem. Due to the unique growth characteristics of plants, the response of their growth status and physiological activities to climate change will affect the carbon cycle process of forest ecosystem. Based on the local scale CO₂ flux and temperature observation data recorded by the FLUXNET registration site and Harvard Forest FLUX observation tower from 2000 to 2012, combined with the phenological model, this paper analyzes the impact of temperature changes on CO₂ flux in temperate forest ecosystems. The results show that: (1) the maximum NEE in 2000–2012 was 298.13 g·m^-2·a^-1, which occurred in 2010. Except in the 2010 and 2011, the annual NEE in other years was negative. (2) NEE, GPP, temperature and phenology models have good fitting effects (R² > 0.8), which shows that the stable period of photosynthesis in temperate mixed forest ecosystem is mainly concentrated in summer, and vegetation growth is the dominant factor of carbon cycle in temperate mixed forest ecosystem. (3) The linear fitting results of the change time points of air temperature (maximum point, minimum point and 0 point date) and the change time points of NEE and GPP (maximum point, minimum point and 0 point date) show that there is a significant positive correlation between air temperature and CO₂ flux (P < 0.01), and the change of air temperature affects the carbon cycle process of temperate mixed forest ecosystem.

First principles simulation studies using the density functional theory have been performed on (9, 0) Zigzag Singlewalled Carbon Nanotube (SWCNT) to investigate its electronic, optical and thermodynamic properties using CASTEP (Cambridge Sequential Total Energy Package) and DFTB (Density Functional based Tight Binding) modules of the Material Studio Software version 7.0. Various functionals and sub-functionals available in the CASTEP Module (using Pulay Density Mixing treatment of electrons) and various eigen-solvers and smearing schemes available in the DFTB module (using smart algorithm) have been tried out to chalk out the electronic structure. The analytically deduced values of the band gap obtained were compared with the experimentally determined value reported in the literature. By comparison, combination of Anderson smearing scheme and standard diaogonalizer produced best results in DFTB module while in the CASTEP module, GGA (General Gradient approximation) functional with RPBE (Revised-perdew-Burke-Ernzerh) as Sub-functional was found to be the most consistent. These optimized parameters were then used to determine various electronic, optical and thermodynamic properties of (9, 0) Singlewalled Nanotube. (9, 0) Singlewalled Nanotube, which is extensively being used for sensing NH₃, CH₄ & NO₂, has been picked up in particular as it is reported to exhibit a finite energy band gap in contrast to its expected metallic nature. The study is of utmost significance as it not only probes and validates the simulation route for predicting suitable properties of nanomaterials but also throws light on the comparative efficacy of the different approximation and rationalization quantum mechanical techniques used in simulation studies.

Richard’s equation was approximated by finite-difference numerical scheme to model water infiltration profile in variably unsaturated soil^[1]. The published data of Philip’s semi-analytical solution was used to validate the simulated results from the numerical scheme. A discrepancy was found between the simulated and the published semi-analytical results. Morris method as a global sensitivity tool was used as an alternative to local sensitivity analysis to assess the results discrepancy. Morris method with different sampling strategies were tested, of which Manhattan distance method has resulted a better sensitivity measures and also a better scan of input space than Euclidean method. Moreover, Morris method at p = 2 , r = 2 and Manhattan distance sampling strategy, with only 2 extra simulation runs than local sensitivity analysis, was able to produce reliable sensitivity measures (μ^*, σ). The sensitivity analysis results were cross-validated by Sobol’ variance-based method with 150,000 simulation runs. The global sensitivity tool has identified three important parameters, of which spatial discretization size was the sole reason of the discrepancy observed. In addition, a high proportion of total output variance contributed by parameters β and θ_s is suggesting a greater significant digits to reduce its input uncertainty range.

We studied Zeta potentials of nanoparticles titanium dioxides （nTiO₂） in different concentration of NaNO₃ and phosphate (P) solutions. In addition, the effect of flow rate on the transport of nTiO₂ in P was investigated at pH＝6.5. Experimental results show that the Zeta potential of nTiO₂ is compressed with the increasing ion concentration (IC) of NaNO₃ at pH＝6.5. The negative charge increases with the augment of P. Therefore, the high P and low NaNO3 induce the stabilization of nTiO₂ aggregates. The transport experiments suggest that the rapid flow rate is favorable for the transportability of nTiO₂ and soluble phosphate. The breakthrough transport curves (BTCs) of nTiO₂ in sand columns can be fitted well with two-site kinetic attachment model. The modeling results suggest that the values of first-order attachment rate coefficients (k₂) and detachment rate coefficients (k_2d) on site 2 and first-order attachment rate coefficients (k₁) on site 1 are responsible to the attaching efficiency of nTiO₂ on sands and their transportability.