Molecular dynamics simulations of the interactions of potential foulant molecules and a reverse osmosis membrane

Reverse osmosis (RO) is increasingly one of the most common technologies for desalination worldwide. However, fouling of the membranes used in the RO process remains one of the main challenges. In order to better understand the molecular basis of fouling the interactions of a fully atomistic model of a polyamide membrane with three different foulant molecules, oxygen gas, glucose and phenol, are investigated using molecular dynamics simulations. In addition to unbiased simulations, umbrella sampling methods have been used to calculate the free energy profiles of the membrane-foulant interactions. The results show that each of the three foulants interacts with the membrane in a different manner.It is found that a build up of the two organic foulants, glucose and phenol, occurs at the membrane-saline solution, due to the favourable nature of the interaction in this region, and that the presence of these foulants reduces the rate of flow of water molecules over the membrane-solution interface. However, analysis of the hydrogen bonding shows that the origin of attraction of the foulant for the membrane differs. In the case of oxygen gas the simulations show that a build up of gas within the membrane is likely, although, no deterioration in the membrane performance was observed

Hofstadter Problem on the Honeycomb and Triangular Lattices: Bethe Ansatz Solution

We consider Bloch electrons on the honeycomb lattice under a uniform magnetic field with $2 \pi p/q$ flux per cell. It is shown that the problem factorizes to two triangular lattices. Treating magnetic translations as Heisenberg-Weyl group and by the use of its irreducible representation on the space of theta functions, we find a nested set of Bethe equations, which determine the eigenstates and energy spectrum. The Bethe equations have simple form which allows to consider them further in the limit $p, q \to \infty$ by the technique of Thermodynamic Bethe Ansatz and analyze Hofstadter problem for the irrational flux.Comment: 7 pages, 2 figures, Revte

Performance evaluation of a six-axis generalized force-reflecting teleoperator

Work in real-time distributed computation and control has culminated in a prototype force-reflecting telemanipulation system having a dissimilar master (cable-driven, force-reflecting hand controller) and a slave (PUMA 560 robot with custom controller), an extremely high sampling rate (1000 Hz), and a low loop computation delay (5 msec). In a series of experiments with this system and five trained test operators covering over 100 hours of teleoperation, performance was measured in a series of generic and application-driven tasks with and without force feedback, and with control shared between teleoperation and local sensor referenced control. Measurements defining task performance included 100-Hz recording of six-axis force/torque information from the slave manipulator wrist, task completion time, and visual observation of predefined task errors. The task consisted of high precision peg-in-hole insertion, electrical connectors, velcro attach-de-attach, and a twist-lock multi-pin connector. Each task was repeated three times under several operating conditions: normal bilateral telemanipulation, forward position control without force feedback, and shared control. In shared control, orientation was locally servo controlled to comply with applied torques, while translation was under operator control. All performance measures improved as capability was added along a spectrum of capabilities ranging from pure position control through force-reflecting teleoperation and shared control. Performance was optimal for the bare-handed operator

On quantum mechanics with a magnetic field on R^n and on a torus T^n, and their relation

We show in elementary terms the equivalence in a general gauge of a U(1)-gauge theory of a scalar charged particle on a torus T^n = R^n/L to the analogous theory on R^n constrained by quasiperiodicity under translations in the lattice L. The latter theory provides a global description of the former: the quasiperiodic wavefunctions defined on R^n play the role of sections of the associated hermitean line bundle E on T^n, since also E admits a global description as a quotient. The components of the covariant derivatives corresponding to a constant (necessarily integral) magnetic field B = dA generate a Lie algebra g_Q and together with the periodic functions the algebra of observables O_Q . The non-abelian part of g_Q is a Heisenberg Lie algebra with the electric charge operator Q as the central generator; the corresponding Lie group G_Q acts on the Hilbert space as the translation group up to phase factors. Also the space of sections of E is mapped into itself by g in G_Q . We identify the socalled magnetic translation group as a subgroup of the observables' group Y_Q . We determine the unitary irreducible representations of O_Q, Y_Q corresponding to integer charges and for each of them an associated orthonormal basis explicitly in configuration space. We also clarify how in the n = 2m case a holomorphic structure and Theta functions arise on the associated complex torus. These results apply equally well to the physics of charged scalar particles on R^n and on T^n in the presence of periodic magnetic field B and scalar potential. They are also necessary preliminary steps for the application to these theories of the deformation procedure induced by Drinfel'd twists.Comment: Latex2e file, 22 pages. Final version appeared in IJT

Patterns of Relative Bacterial Richness and Community Composition in Seawater and Marine Sediment Are Robust for Both Operational Taxonomic Units and Amplicon Sequence Variants

To understand the relative influences of operational taxonomic units (OTUs) and amplicon sequence variants (ASVs) on patterns of marine microbial diversity and community composition, we examined bacterial diversity and community composition of seawater from 12 sites in the North Atlantic Ocean and Canadian Arctic and sediment from two sites in the North Atlantic. For the seawater analyses, we included samples from three to six zones in the water column of each site. For the sediment analyses, we included over 20 sediment horizons at each of two sites. For all samples, we amplified the V4–V5 hypervariable region of the 16S ribosomal RNA (rRNA) gene. We analyzed each sample in two different ways: (i) by clustering its reads into 97%-similar OTUs and (ii) by assigning sequences to unique ASVs. OTU richness is much higher than ASV richness for every sample, but both OTUs and ASVs exhibit similar vertical patterns of relative diversity in both the water column and the sediment. Bacterial richness is highest just below the photic zone in the water column and at the seafloor in the sediment. For both OTUs and ASVs, richness estimates depend on the number of sequences analyzed. Both methods yield broadly similar community compositions for each sample at the taxonomic levels of phyla to families. While the two methods yield different richness values, broad-scale patterns of relative richness and community composition are similar with both methods

Breathing in the other : enthusiasm and the sublime in eighteenth-century Britain

The entire dissertation/thesis text is included in the research.pdf file; the official abstract appears in the short.pdf file (which also appears in the research.pdf); a non-technical general description, or public abstract, appears in the public.pdf file.Title from title screen of research.pdf file (viewed on July 31, 2009)Thesis (Ph. D.) University of Missouri-Columbia 2008.This project assesses enthusiasm and the sublime as important eighteenth-century phenomena for establishing the limits and bases of reason and polite discourse. My research focuses eighteenth-century and current sources to try to recover what has been lost in the often heated rhetoric on enthusiasm and the sublime. In looking at eighteenth century philosophy, criticism, and literature, this project re-imagines possibilities of the sublime beyond ideological repression and ethical kindness. It also recasts enthusiasm as more than mere madness or a matter of emotion and takes the problem of inspiration seriously. The method applied here is largely psychoanalytic. Jacques Lacan's concepts of the subject and the Other inform this dissertation's return to enthusiasm and his idea of logical time informs its reassessment of the sublime. This approach sheds new light on non-canonical critics such as John Dennis, long-misunderstood poets such as William Collins, and newly canonized novelists such as Charlotte Lennox.Includes bibliographical reference

Diffractive energy spreading and its semiclassical limit

We consider driven systems where the driving induces jumps in energy space: (1) particles pulsed by a step potential; (2) particles in a box with a moving wall; (3) particles in a ring driven by an electro-motive-force. In all these cases the route towards quantum-classical correspondence is highly non-trivial. Some insight is gained by observing that the dynamics in energy space, where $n$ is the level index, is essentially the same as that of Bloch electrons in a tight binding model, where $n$ is the site index. The mean level spacing is like a constant electric field and the driving induces long range hopping 1/(n-m).Comment: 19 pages, 11 figs, published version with some improved figure

Exploring the Abundance, Metabolic Potential, and Gene Expression of Subseafloor Chloroflexi in Million-year-old Oxic and Anoxic Abyssal Clay

Chloroflexi are widespread in subsurface environments, and recent studies indicate that they represent a major fraction of the communities in subseafloor sediment. Here, we compare the abundance, diversity, metabolic potential, and gene expression of Chloroflexi from three abyssal sediment cores from the western North Atlantic Gyre (water depth \u3e5400 m) covering up to 15 million years of sediment deposition, where Chloroflexi were found to represent major components of the community at all sites. Chloroflexi communities die off in oxic red clay over 10 to 15 million years, and gene expression was below detection. In contrast, Chloroflexi abundance and gene expression at the anoxic abyssal clay site increase below the seafloor and peak in 2 to 3 million-year-old sediment, indicating a comparably higher activity. Metatranscriptomes from the anoxic site reveal increased expression of Chloroflexi genes involved in cell wall biogenesis, protein turnover, inorganic ion transport, defense mechanisms and prophages. Phylogenetic analysis shows that these Chloroflexi are closely related to homoacetogenic subseafloor clades and actively transcribe genes involved in sugar fermentations, gluconeogenesis and Wood-Ljungdahl pathway in the subseafloor. Concomitant expression of cell division genes indicates that these putative homoacetogenic Chloroflexi are actively growing in these million-year-old anoxic abyssal sediments

Influence of 16S rRNA Hypervariable Region on Estimates of Bacterial Diversity and Community Composition in Seawater and Marine Sediment

To assess the influence of 16S ribosomal RNA (rRNA) tag choice on estimates of microbial diversity and/or community composition in seawater and marine sediment, we examined bacterial diversity and community composition from a site in the Central North Atlantic and a site in the Equatorial Pacific. For each site, we analyzed samples from four zones in the water column, a seafloor sediment sample, and two subseafloor sediment horizons (with stratigraphic ages of 1.5 and 5.5 million years old). We amplified both the V4 and V6 hypervariable regions of the 16S rRNA gene and clustered the sequences into operational taxonomic units (OTUs) of 97% similarity to analyze for diversity and community composition. OTU richness is much higher with the V6 tag than with the V4 tag, and subsequently OTU-level community composition is quite different between the two tags. Vertical patterns of relative diversity are broadly the same for both tags, with maximum taxonomic richness in seafloor sediment and lowest richness in subseafloor sediment at both geographic locations. Genetic dissimilarity between sample locations is also broadly the same for both tags. Community composition is very similar for both tags at the class level, but very different at the level of 97% similar OTUs. Class-level diversity and community composition of water-column samples are very similar at each water depth between the Atlantic and Pacific. However, sediment communities differ greatly from the Atlantic site to the Pacific site. Finally, for relative patterns of diversity and class-level community composition, deep sequencing and shallow sequencing provide similar results