Non-equilibrium steady-states for interacting open systems: exact results

Under certain conditions we prove the existence of a steady-state transport regime for interacting mesoscopic systems coupled to reservoirs (leads). The partitioning and partition-free scenarios are treated on an equal footing. Our time-dependent scattering approach is {\it exact} and proves, among other things the independence of the steady-state quantities from the initial state of the sample. Closed formulas for the steady-state current amenable for perturbative calculations w.r.t. the interaction strength are also derived. In the partitioning case we calculate the first order correction and recover the mean-field (Hartree-Fock) results.Comment: To appear in Phys. Rev.

Ionization effects on the partitioning behavior of food and beverage aroma compounds between aqueous phases and air and organic matrices

Aroma compounds in the Flavornet database were screened for ionizable functional groups such as carboxylic acids, aliphatic and aromatic amines, phenols, alcohols, and thiols. Of the 738 aroma compounds listed in this database, 101 molecules have ionizable moieties with estimated monomeric aqueous pK~a~ values ranging between 1.75 and 10.97. pH dependent effective air/water partitioning coefficients (K~aw,eff~) and n-octanol/water partitioning coefficients (D~ow~) were estimated for all ionizable aroma compounds over the pH range from 0 to 14. The ionizable aroma compounds display a broad range of K~aw,eff~ (1.8×10^-23^ to 6.1 atm M^-1^) and log D~ow~ (-6.2 to +7.2 units) values. For many aroma compounds, pH dependent ionization will have a significant effect on the K~aw,eff~ and D~ow~, leading to variations in these physico-chemical properties by up to 11 orders of magnitude over the composite pH range of common foods and beverages. Changes in food and beverage pH affect not only the relative contributions of neutral versus charged forms of ionizable aroma compounds (which directly affects analyte volatility and olfactory reception), but also partitioning between freely dissolved and sorbed forms of the analyte in solution (which indirectly affects analyte volatility)

Surface Emissions Modulate Indoor SVOC Concentrations through Volatility-Dependent Partitioning.

Measurements by semivolatile thermal desorption aerosol gas chromatography (SV-TAG) were used to investigate how semivolatile organic compounds (SVOCs) partition among indoor reservoirs in (1) a manufactured test house under controlled conditions (HOMEChem campaign) and (2) a single-family residence when vacant (H2 campaign). Data for phthalate diesters and siloxanes suggest that volatility-dependent partitioning processes modulate airborne SVOC concentrations through interactions with surface-laden condensed-phase reservoirs. Airborne concentrations of SVOCs with vapor pressures in the range of C13 to C23 alkanes were observed to be correlated with indoor air temperature. Observed temperature dependencies were quantitatively similar to theoretical predictions that assumed a surface-air boundary layer with equilibrium partitioning maintained at the air-surface interface. Airborne concentrations of SVOCs with vapor pressures corresponding to C25 to C31 alkanes correlated with airborne particle mass concentration. For SVOCs with higher vapor pressures, which are expected to be predominantly gaseous, correlations with particle mass concentration were weak or nonexistent. During primary particle emission events, enhanced gas-phase emissions from condensed-phase reservoirs partitioned to airborne particles, contributing substantially to organic particulate matter. An emission event related to oven-usage was inferred to deposit siloxanes in condensed-phase reservoirs throughout the house, leading to the possibility of reemission during subsequent periods with high particle loading

State-dependent Cost Partitionings for Cartesian Abstractions in Classical Planning

Abstraction heuristics are a popular method to guide optimal search algorithms in classical planning. Cost partitionings allow to sum heuristic estimates admissibly by distributing action costs among the heuristics. We introduce state-dependent cost partitionings which take context information of actions into account, and show that an optimal state-dependent cost partitioning dominates its state-independent counterpart. We demonstrate the potential of our idea with a state-dependent variant of the recently proposed saturated cost partitioning, and show that it has the potential to improve not only over its state-independent counterpart, but even over the optimal state-independent cost partitioning. Our empirical results give evidence that ignoring the context of actions in the computation of a cost partitioning leads to a significant loss of information

On the steady state correlation functions of open interacting systems

We address the existence of steady state Green-Keldysh correlation functions of interacting fermions in mesoscopic systems for both the partitioning and partition-free scenarios. Under some spectral assumptions on the non-interacting model and for sufficiently small interaction strength, we show that the system evolves to a NESS which does not depend on the profile of the time-dependent coupling strength/bias. For the partitioned setting we also show that the steady state is independent of the initial state of the inner sample. Closed formulae for the NESS two-point correlation functions (Green-Keldysh functions), in the form of a convergent expansion, are derived. In the partitioning approach, we show that the 0th order term in the interaction strength of the charge current leads to the Landauer-Buettiker formula, while the 1st order correction contains the mean-field (Hartree-Fock) results