The CENTURY model failed to simulate soil organic matter development in an acidic grassland

Extensive agricultural systems have been promoted all over Europe. Most studies of such systems have focused on plant species composition, while few studies have looked at soil effects. We report on an experiment at three upland sites where soil carbon, nitrogen and pH were measured twice a year for 12 years. There were four grazing treatments: no grazing, grazed to maintain a sward height of 8 cm, grazed to maintain 4 cm (all without fertiliser) and grazed to maintain 4 cm with the addition of fertiliser. There was no significant effect of treatment, but there were differences between sites over time. A simulation model, CENTURY, was adapted to the data. It also predicted little difference between treatments, but the fit to data was not very good. It was necessary to assume that the soils contained a store of undecomposed organic matter or peat that was now slowly decomposing as a result of liming. The need to modify the model to include a pH effect on decomposition in the model is highlighted.     

Two-stage equilibrium model for a coal gasifier to predict the accurate carbon conversion in hydrogen production

The performance of the Texaco gasifier in hydrogen production was studied numerically. To estimate the accurate carbon conversion, a two-stage equilibrium model was proposed. In the proposed model, the two reactions which determined the carbon conversion were separated from other vapor–vapor reactions. The governing equations of the proposed model were derived and a self-consistent method was developed to solve the governing equations. The %AAD of the calculated carbon conversions from the measured values was 2.89 and that of the calculated gas production rate was 0.64. Calculated gas compositions showed a fairly good agreement with the experimental ones for commercial scale plants. It was found that the chemical reactions that occurred in the Texaco gasifier possess a mechanism for keeping the carbon conversion close to unity against a wide variation in the H₂O to coal ratios.     

Nitrogen leaching in an upland cropping system on an acid soil in subtropical China: lysimeter measurements and simulation

The effect of rainfall and nitrogen (N) input on nitrate leaching in a rain-fed peanut–oilseed rape system on an acidic soil in subtropical China was investigated in a field lysimeter experiment from 1997 to 2000. Drainage and nitrate leaching were simulated using the Water and Nitrogen Management Model (WNMM). Nitrate concentrations in the drainage water and nitrate leaching increased with increasing N application rate. Annual leaching losses ranged from 21.1 to 46.3 kg N ha⁻¹ (9.5–16.8%) for inputs between 0 and 150 kg N ha⁻¹. Growth of oilseed rape decreased the nitrate concentration in the drainage water, but growing N fixing peanuts did not. Rainfall had a greater impact on nitrate leaching than crop uptake. Nitrate concentrations in the drainage water were relatively low (1.95–4.33 mg N l⁻¹); this was caused by the high precipitation, the low nitrification rate, and the low residual nitrate in the soil. The loss of nitrate was low during the dry season (October–February) and in the dry year (rainfall 17% below average) mainly as a result of reduced drainage. WNMM satisfactorily simulated the inter-monthly variation in drainage and total nitrate leached, with respective relative root mean square errors of 42.7% and 70.2%, mean modelling efficiencies of 0.88 and 0.67, and mean relative errors of −3.82% and 21.8%. The modelled annual N losses were only 1–7% less than the observed values.     

Mechanical regains due to self-healing in cementitious materials: Experimental measurements and micro-mechanical model

This paper focuses on mechanical regains that can be obtained due to self-healing of cementitious materials. Experimentally, small cracks with a width of around 10 μm were healed by water immersion and corresponding regains were assessed by means of three-point-bending tests. A general discussion about stiffness and strength regains is provided with the help of newly introduced indices. Besides, the first comprehensive finite element model to characterise the micro-mechanical properties of the healing products is introduced, based on the coupling of the microstructural hydration model CEMHYD3D and the finite element code Cast3M. The main objective is to analyse the healing potential and rate, as well as the nature of the healing products. The nature of the simulated healing products is in agreement with observation conducted using SEM/EDX on artificial cracks created at early age.     

Effects of the depth of NO and N2O productions in soil on their emission rates to the atmosphere: analysis by a simulation model

Many factors are concerned in the changing forms of nitrogen compounds in soil, so it is not easy to make precise models to simulate the concentration profiles of soil nitric oxide (NO) and nitrous oxide (N₂O) and their emission rates under various soil conditions. We prepared a simple mathematical simulation model based on soil concentration profiles of NO and N₂O. The profiles were measured at lysimeters filled with Andosol soil and fertilized with ammonium sulfate at rate of 200 kgNha^-1, incorporating to plow layer (Hirose & Tsuruta, 1996). In this model, diffusion of gases in soil followed Fick's law and the diffusion coefficient was adopted from Sallam et al. (1984). The gas production rate was set up at constant value in the site of gas production, and the gaseous consumption followed Michaelis-Menten kinetics. By changing only the depth of NO and N₂O production in soil in this model, we obtained the following results.(1) When the depth of gas production was set at near the soil surface (NO: 0–10 cm, N₂O: 0-8 cm), the emission rates of both gases corresponded with the results of the lysimeter-measurement.(2) When the depth of gas production was shifted down 10 cm deeper (NO: 10–20 cm, N₂O: 10-18 cm), the gas emission rate of NO decreased to 1.3% of (1), while that of N₂O was almost the same as (1).(3) In the case that the total intensity of produced gases was not changed from (1) or (2), but that the extent of gas productions expanded 3 times wider (NO: 0–30 cm, N₂O: 0–24 cm) than (1) or (2), the emission rates of NO and N₂O became 26% and 95% of (1), respectively.The above results suggest the possibility of mitigating NO emission by setting the site of gaseous production in deeper soil, e.g. by means of deep application of fertilizer.     

Adsorption of CO2, CH4, CO2/N2 and CO2/CH4 in novel activated carbon beads: Preparation,measurements and simulation

A series of high performance carbonaceous mesoporous materials: activated carbon beads (ACBs), have been prepared in this work. Among the samples, ACB‐5 possesses the BET specific surface area of 3537 m² g^?1 and ACB‐2 has the pore volume of 3.18 cm³ g^?1. Experimental measurements were carried out on the intelligent gravimetric analyzer (IGA‐003, Hiden). Carbon dioxide adsorption capacity of 909 mg g^?1 has been achieved in ACB‐5 at 298 K and 18 bar, which is superior to the existing carbonaceous porous materials and comparable to metal‐organic framework (MOF)‐177 (1232 mg g^?1, at 298 K and 20 bar) and covalent‐organic framework (COF)‐102 (1050 mg g^?1 at 298 K and 20 bar) reported in the literature. Moreover, methane uptake reaches 15.23 wt % in ACB‐5 at 298 K and 18 bar, which is better than MOF‐5. To predict the performances of the samples ACB‐2 and ACB‐5 at high pressures, modeling of the samples and grand canonical Monte Carlo simulation have been conducted, as is presented in our previous work. The adsorption isotherms of CO₂/N₂ and CO₂/CH₄ in our samples ACB‐2 and 5 have been measured at 298 and 348 K and different compositions, corresponding to the pre‐ and postcombustion conditions for CO₂ capture. The Dual‐Site Langmuir‐Freundlich (DSLF) model‐based ideal‐adsorbed solution theory (IAST) was also used to solve the selectivity of CO₂ over N₂ and CH₄. The selectivities of ACBs for CO₂/CH₄ are in the range of 2–2.5, while they remain in the range of 6.0–8.0 for CO₂/N₂ at T = 298 K. In summary, this work presents a new type of adsorbent‐ACBs, which are not only good candidates for CO₂ and CH₄ storage but also for the capture of carbon dioxide in pre‐ and postcombustion processes. © 2011 American Institute of Chemical Engineers AIChE J, 2011     

Surface area of particle administered versus mass in determining the pulmonary toxicity of ultrafine and fine carbon black: comparison to ultrafine titanium dioxide

Background  

Nanoparticles are characterized by having a high surface area per mass. Particulate surface area has been reported to play an important role in determining the biological activity of nanoparticles. However, recent reports have questioned this relationship. This study was conducted to determine whether mass of particles or surface area of particles is the more appropriate dose metric for pulmonary toxicity studies. In this study, rats were exposed by intratracheal instillation to various doses of ultrafine and fine carbon black. At 1, 7, or 42 days post-exposure, inflammatory and cytotoxic potential of each particle type was compared on both a mass dosage (mg/rat) as well as an equal surface area dosage (cm² of particles per cm² of alveolar epithelium). In an additional study, the pulmonary responses to instillation of ultrafine carbon black were compared to equivalent particle surface area doses of ultrafine titanium dioxide.     

Modeling for the catalytic coupling reaction of carbon monoxide to diethyl oxalate in fixed-bed reactors: Reactor model and its applications

A two-dimensional (2D) pseudo-homogeneous reactor model was developed to simulate the performance of fixed-bed reactors for catalytic coupling reaction of carbon monoxide to diethyl oxalate. Reactor modeling was performed using a comprehensive numerical model consisting of two-dimensional coupled material and energy balance equations. A power law kinetic model was applied for simulating the catalytic coupling reaction with considering one main-reaction and two side-reactions. The validity of the reactor model was tested against the measured data from different-scale demonstration processes and satisfactory agreements between the model prediction and measured results were obtained. Furthermore, detailed numerical simulations were performed to investigate the effect of major operation parameters on the reactor behavior of fixed bed for catalytic coupling reaction of carbon monoxide to diethyl oxalate, and the result shows that the coolant temperature is the most sensitive parameter.