Measurement of pore diffusion factor of porous solid materials

Internal diffusion of molecules in porous materials plays an important role in many chemical processes.However, the pore diffusion capacity of porous materials cannot be measured by conventional catalyst characterization methods. In the present paper, a pore diffusion factor, the ratio of the diffusionconstriction factor to the pore tortuosity of the porous materials, was proposed to measure the diffusion ability of pores inside solid materials, and a method was proposed for measuring the diffusion factor using a well-defined and uniform pore size material as a reference. The diffusion factor was calculated based on the effective diffusion coefficients and the diffusion-constriction factor and pore tortuosity of the reference porous materials. The pore diffusion factor measurement can be performed at room temperature and atmospheric pressure. The pore diffusion factor of conventional porous materials was found to be much smaller than 1, indicating that there is a lot of room for improving the diffusion ability of the conventional catalysts and adsorbents, and could be significantly increased through adding small number of fibers into the conventional porous materials as template.

Hydration mechanism of low quality fly ash in cement-based materials

The hydration mechanism of low quality fly ash in cement-based materials was investigated. The hydration heat of the composite cementitious materials was determined by isothermal calorimetry, and the hydration products, quantity, pore structure and morphology were measured by X-ray diffraction(XRD), thermalgravity-differential thermal analysis(TG-DTA), mercury intrusion porosimetry(MIP) and scanning electron microscopy(SEM), respectively. The results indicate that grinding could not only improve the physical properties of the low quality fly ash on particle effect, but also improve hydration properties of the cementitious system from various aspects compared with raw low quality fly ash(RLFA). At the early stage of hydration, the low quanlity fly ash acts as almost inert material; but then at the later stage, high chemical activity, especially for ground low quality fly ash(GLFA), could be observed. It can accelerate the formation of hydration products containing more chemical bonded water, resulting in higher degree of cement hydration, thus denser microstructure and more reasonable pore size distribution, but the hydration heat in total is reduced. It can also delay the induction period, but the accelerating period is shortened and there is little influence on the second exothermic peak.

An improved theoretical procedure for the pore-size analysis of activated carbon by gas adsorption

Amorphous carbon materials play a vital role in adsorbed natural gas(ANG) storage. One of the key issues in the more prevalent use of ANG is the limited adsorption capacity, which is primarily determined by the porosity and surface characteristics of porous materials. To identify suitable adsorbents, we need a reliable computational tool for pore characterization and, subsequently, quantitative prediction of the adsorption behavior. Within the framework of adsorption integral equation(AIE), the pore-size distribution(PSD) is sensitive to the adopted theoretical models and numerical algorithms through isotherm fitting. In recent years, the classical density functional theory(DFT) has emerged as a common choice to describe adsorption isotherms for AIE kernel construction. However,rarely considered is the accuracy of the mean-field approximation(MFA) commonly used in commercial software. In this work, we calibrate four versions of DFT methods with grand canonical Monte Carlo(GCMC) molecular simulation for the adsorption of CH_4 and CO_2 gas in slit pores at 298 K with the pore width varying from 0.65 to 5.00 nm and pressure from 0.2 to 2.0 MPa. It is found that a weighted-density approximation proposed by Yu(WDA-Yu) is more accurate than MFA and other non-local DFT methods. In combination with the trapezoid discretization of AIE, the WDA-Yu method provides a faithful representation of experimental data, with the accuracy and stability improved by 90.0% and 91.2%, respectively, in comparison with the corresponding results from MFA for fitting CO_2 isotherms. In particular, those distributions in the feature pore width range(FPWR)are proved more representative for the pore-size analysis. The new theoretical procedure for pore characterization has also been tested with the methane adsorption capacity in seven activated carbon samples.