Separation of chiral molecules using achiral inputs is an interesting alternative to traditional techniques based on the chiral recognition mechanism. In this article we propose a lattice gas Monte Carlo model of two-dimensional chiral segregation induced by breaking of molecular orientational symmetry. Simulations were performed on a square lattice for rigid chain molecules composed of four and five identical segments. Mirror-image flat chain conformations resulting in different enantiomeric pairs were considered for each probe molecule. The enantiomers were assumed to interact via short-ranged segment-segment interaction potential limited to nearest neighbors on the lattice. We considered two qualitatively different situations in which (1) the molecules were allowed to rotate on the surface and adopt any of the four planar orientations and (2) the rotation was blocked, so that only one planar orientation was possible. The results obtained for the racemic overlayers showed clearly that the orientational symmetry breaking can induce spontaneous segregation of the enantiomers into large enantiopure domains. However, this effect was observed only for molecules with sufficiently long linear fragment. In the case of kinked bulky molecules a mixed assembly was formed, demonstrating the role of molecular shape in the orientationally biased segregation of enantiomers in adsorbed films. The insights from this study can be useful in developing strategies for 2D chiral separations in which external directional fields are used.

This paper presents a novel seven-rod sensor used for time-domain reflectometry (TDR) and frequency-domain reflectometry (FDR) measurements of soil water content in a well-defined sample volume. The probe directly measures the complex dielectric permittivity spectrum and for this purpose requires three calibration media: air, water, and ethanol. Firstly, electromagnetic simulations were used to study the influence of the diameter of a container on the sensitivity zone of the probe with respect to the measured calibration media and isopropanol as a verification liquid. Next, the probe was tested in three soils—sandy loam and two silt loams—with six water contents from air-dry to saturation. The conversion from S 11 parameters to complex dielectric permittivity from vector network analyzer (VNA) measurements was obtained using an open-ended liquid procedure. The simulation and measurement results for the real part of the isopropanol dielectric permittivity obtained from four containers with different diameters were in good agreement with literature data up to 200 MHz. The real part of the dielectric permittivity was extracted and related to the moisture of the tested soil samples. Relations between the volumetric water content and the real part of the dielectric permittivity (by FDR) and apparent dielectric permittivity (by TDR) were compared with Topp’s equation. It was concluded that the best fit to Topp’s equation was observed in the case of a sandy loam. Data calculated according to the equation proposed by Malicki, Plagge, and Roth gave results closer to Topp’s calibration. The obtained results indicated that the seven-rod probe can be used to accurately measure of the dielectric permittivity spectrum in a well-defined sample volume of about 8 cm3 in the frequency range from 20 MHz to 200 MHz.

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This paper presents dielectric measurements of talc, glass beads, and their mixtures under different moisture and salinity levels. The measurements were conducted using a prototype seven-rod probe (15 mm long central rod) connected to a single port of vector network analyzer. The samples were moistened with distilled water and KCl solutions in order to obtain six different moisture content levels. The complex dielectric permittivity was determined from vector network analyzer reflection-coefficient measurements based on the open-water-liquid calibration procedure. Next, the fitting of volumetric water content–real part of dielectric permittivity calibration curves was performed for each material at selected frequencies, and the obtained relations were compared with well-known calibration equations. Additionally, a salinity index for the tested materials was calculated. It was concluded that pure talc is not an optimal material for the calibration and verification of dielectric methods. The calibration curves obtained for glass beads and the mixtures of glass beads with talc gave results close to well-known reference calibration functions. Additionally, the addition of talc caused the data points to be less scattered. Moreover, the values of the salinity index for the tested materials were in a good agreement with literature data for sand. The obtained results indicated that glass beads with the addition of talc can be used as a reference material for the calibration and verification of dielectric methods and devices for soil moisture measurement.

Patterning of solid surfaces with organic molecules has been recognized as a promising method to create functional 2D matrices with tunable structure and properties. In this work we use the lattice Monte Carlo simulations to study chiral pattern formation in adsorbed systems comprising simple molecular building blocks differing in shape. To that end we consider five-membered rigid isomers whose composite segments can occupy vertices of a triangular lattice and interact with short-range (nearest neighbors) forces. Our main focus is on those molecules which are prochiral, that is they can adopt mirror-image planar configurations when adsorbed. Moreover, the effect of orientational in-plane confinement of the molecules, which reflects their coupling with an external directional field, on the structure formation and chiral resolution in 2D is explored. The obtained results demonstrate that the confinement imposed on the surface enantiomers can induce their resolution and formation of extended homochiral domains. However, it is also shown that for certain molecular shapes the confinement can produce mixed racemic crystals instead of the homochiral assemblies. The insights from our simulation studies can be helpful in preliminary screening of molecular libraries to select optimal building blocks able to self-assembly into chiral 2D patterns with predefined architecture.