Both crystal packing and molecular size have strong influences on the charge mobility for organic semiconductors. The crystal structures for oligothiophene (nT) can be roughly classified into two types: the Z ) 2 (two molecules in one unit cell) or high temperature (HT) phase and the Z ) 4 or low temperature (LT) phase. Through first-principles calculations within the Marcus electron transfer theory coupled with random walk simulation for room temperature charge diffusion constants, we found that the hole mobility of the HT phase is about 3-4 times larger than that of the LT phase because the molecular packing in the HT phase favors the hole transfer (i.e., the frontier orbital wave function phases of the dimer are constructive, which tends to maximize the overlap), while for the LT phase, the molecules are packed in a position that reduces the intermolecular orbital overlap due to phase cancellation. As the molecular size increases from 2T to 8T, the hole mobility tends to increase because the reorganization energy decreases with the chain length.

In this paper, we develop a new correlation for the clean-bed filter coefficient (lambda0) for Brownian particles, for which diffusion is the main deposition mechanism. The correlation is based on numerical Lattice-Boltzmann (LB) simulations in random packings of spheres of uniform diameter. We use LB methods to solve the Navier-Stokes equation for flow and then the advection-diffusion equation for particle transport. We determine a correlation for an "equivalent" single-collector diffusion efficiency, etaD, so that we can compare our predictions to "true" single-collector correlations stemming from unit-cell modeling approaches. We compared our new correlation to experiments on the filtration of latex particles. For small particle diameters, 50 nm < dp < 300 nm, when gravity and interception are negligible, our correlation for etaD predicts measurements better than unit-cell correlations, which overestimate etaD. The good agreement suggests that the representation of three-dimensional transport pathways in porous media plays an important role when modeling transport and deposition of Brownian particles. To model larger particles, for which gravity and interception are important too, we build a correlation for the overall single-collector efficiency eta0 by adding corresponding etaG and nI terms from unit-cell correlations to our etaD model. The resulting correlation predicts experiments with latex particles of dp > 300 nm well.

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Abstract:The Soil Moisture Active Passive (SMAP) mission was designed to provide global mapping of soil moisture (SM) on nested 3, 9, and 36 km earth grids measured by L-band passive and active microwave sensors. The validation of SMAP SM products is crucial for the application of the products and improvement of the retrieval algorithm. Since the SMAP SM products were released, much effort has been invested in the evaluation of the SMAP radiometer SM product (SMAP_P). However, there has been little validation of SMAP radar (SMAP_A) and active/passive combined (SMAP_AP) SM products. This paper presents an evaluation of SMAP_P, SMAP_A and SMAP_AP SM products by using distributed ground observations networks in different landscapes in the Heihe River Basin of northwestern China. The standard error metrics of SMAP products and relative error are applied to measure the products' performances. The results show that the SMAP SM products exhibit consistent spatial-temporal variation with the ground measurements and typical precipitation events. Three products show various types of performance capability (e.g., active, passive and combined), surface coverage (e.g., bare, vegetated) and climatic region (e.g., cold, arid). Relatively, the SMAP_P shows the best performance, while the SMAP_A performs the worst. The best performances are observed over bare soils but with overestimation and the largest relative error, and unsatisfactory accuracies are observed over cold regions and woody vegetated surfaces with underestimation. The vegetation effect and the freezing-thawing cycle may be major factors that led to an unsatisfactory performance. Efforts on resolving the influence of these factors are expected to improve the accuracy and to promote the application of SMAP SM products over these regions. Overall, this evaluation provides an understanding of SMAP SM products over cold and arid regions, and suggestions for the further refinement of the SMAP SM retrieval algorithms.