Droplet evaporation: Effects of transients and variable properties

A numerical study of the effects of transients and variable properties on single droplet evaporation into an infinite stagnant gas is presented. Sample calculations are reported for octane droplets, initially at 300°K with R_o = 0·1, 0·5, 2·5 × 10^?4m, evaporating into air at temperatures and pressures in the ranges 600–2000°K and 1–10 atm, respectively. It is found that initial size R_o is eliminated from the problem on scaling time with respect to R²₀ and that the evaporative process becomes quasi-steady with ($\text{R}\text{R}{}_0\text{)}{}^2\text{= (}\text{R1}{}_0\text{R}{}_0\text{)}{}^2\text{?}\text{βt}\text{R}{}^2{}_0$, as suggested by experiment. Comparisons of solutions using various reference property schemes with those for variable properties show that best agreement obtains using a simple $\text{1}\text{3}$ rule wherein properties are evaluated at $\text{T}{}_{\mathrm{r}}\text{= T}{}_{\mathrm{s}}\text{+}\text{(T}{}_{\mathrm{e}}\text{?T}{}_{\mathrm{s}}\text{)}\text{3}$ and $\text{m}{}_{\mathrm{1,r}}\text{= m}{}_{\mathrm{1,s}}\text{+}\text{(m}{}_{\mathrm{1,e}}\text{? m}{}_{\mathrm{1,s}}\text{)}\text{3}$. The effects of temporal storage of mass species, energy, etc. and radial pressure variations in the vapor phase prove to be negligible, the early transient behavior being solely due to sensible heat effects within the droplet and related variations in vapor-side driving forces.     

The human serum paraoxonase/arylesterase gene (PON1) is one member of a multigene family

A physiological role for paraoxonase (PON1) is still uncertain, but it catalyzes the hydrolysis of toxic organophosphates. Evidence that the human genome contains two PON1-like genes, designated PON2 and PON3, is presented here. Human PON1 and PON2 each have nine exons, and the exon/intron junctions occur at equivalent positions. PON1 and PON2 genes are both on chromosome 7 in human and on chromosome 6 in the mouse. Turkey and chicken, like most birds, lack paraoxonase activity and are very susceptible to organophosphates. However, they have a PON-like gene with approximately 70% identity with human PON1, PON2, and PON3. Another unexpected finding is that the deduced amino acid sequences of PON2 in human, mouse, dog, turkey, and chicken and of human PON3 are all missing the amino acid residue 105, which is lysine in human PON1. The expanded number of PON genes will have important implications for future experiments designed to discover the individual functions, catalytic properties, and physiological roles of the paraoxonases.     

Fission yeast pak1+ encodes a protein kinase that interacts with Cdc42p and is involved in the control of cell polarity and mating

A STE20/p65pak homolog was isolated from fission yeast by PCR. The pak1+ gene encodes a 72 kDa protein containing a putative p21-binding domain near its amino-terminus and a serine/threonine kinase domain near its carboxyl-terminus. The Pak1 protein autophosphorylates on serine residues and preferentially binds to activated Cdc42p both in vitro and in vivo. This binding is mediated through the p21 binding domain on Pak1p and the effector domain on Cdc42p. Overexpression of an inactive mutant form of pak1 gives rise to cells with markedly abnormal shape with mislocalized actin staining. Pak1 overexpression does not, however, suppress lethality associated with cdc42-null cells or the morphologic defeat caused by overexpression of mutant cdc42 alleles. Gene disruption of pak1+ establishes that, like cdc42+, pak1+ function is required for cell viability. In budding yeast, pak1+ expression restores mating function to STE20-null cells and, in fission yeast, overexpression of an inactive form of Pak inhibits mating. These results indicate that the Pak1 protein is likely to be an effector for Cdc42p or a related GTPase, and suggest that Pak1p is involved in the maintenance of cell polarity and in mating.     

Fluorine in Drug Design: A Case Study with Fluoroanisoles

Anisole and fluoroanisoles display distinct conformational preferences, as evident from a survey of their crystal structures. In addition to altering the free ligand conformation, various degrees of fluorination have a strong impact on physicochemical and pharmacokinetic properties. Analysis of anisole and fluoroanisole matched molecular pairs in the Pfizer corporate database reveals interesting trends: 1) PhOCF₃ increases log D by ～1 log unit over PhOCH₃ compounds; 2) PhOCF₃ shows lower passive permeability despite its higher lipophilicity; and 3) PhOCF₃ does not appreciably improve metabolic stability over PhOCH₃. Emerging from the investigation, difluoroanisole (PhOCF₂H) strikes a better balance of properties with noticeable advantages of log D and transcellular permeability over PhOCF₃. Synthetic assessment illustrates that the routes to access difluoroanisoles are often more straightforward than those for trifluoroanisoles. Whereas replacing PhOCH₃ with PhOCF₃ is a common tactic to optimize ADME properties, our analysis suggests PhOCF₂H may be a more attractive alternative, and greater exploitation of this motif is recommended.     

Planning of carbon capture and storage with pinch analysis techniques

Carbon capture and storage (CCS) is a means for reducing carbon dioxide (CO₂) emissions from fossil fuel combustion in power generation and industrial processes. It involves the capture of CO₂ for subsequent storage in various geological formations. The selection and matching of the power plants and storage sites are often an issue of optimisation due to various constraints, i.e., time of availability, injection rate, and storage capacity limits. In this work, a novel graphical targeting tool based on pinch analysis is proposed to address the planning problem of the storage of captured CO₂ from power generating plants into corresponding reservoirs. The main consideration for the problem is the time of availability of the latter, since reservoirs need to be developed prior to CO₂ storage. The time limitation is addressed by the graphical technique where time is taken as the governing element in solving the problem. Hypothetical examples are used to elucidate the proposed approach.     

Interaction analysis and geometric interconnection decoupling for networks of process systems

The effects of interactions between nonlinear subprocesses on the stabilizability of plantwide systems via the concept of dissipative systems are studied. Conditions for which controlled variables of each interconnected subprocess can be driven to and maintained at their desired values are established through the application of interconnection decoupling techniques. The resulting decoupling feedback law encodes the interaction effects between subprocesses and determines the required information structure for achieving desired control performance using distributed control laws. The proposed constructive approach leads to new criteria for the selection of manipulated and controlled variables that guarantee plantwide stability. © 2013 American Institute of Chemical Engineers AIChE J, 59: 2795–2809, 2013     

Multicriteria optimization as enabler for Sustainable Ceramic Matrix Composites

Over the past 40 years, development of Ceramic Matrix Composites (CMCs) has focused mainly on the improvement of material performance and optimization of cost-efficient production routes. Recently, more fields of application have opened up for CMCs, in which environmental impacts are relevant. These impacts have barely been investigated so far but receive growing interest due to increasing awareness of the environmental consequences. Our innovative approach frames material properties in relation to environmental impacts (e.g., global warming potential in CO₂ emission) by varying process parameters to balance optimum performance against environmental considerations. First, the process of wet filament winding has been investigated up to the Carbon Fiber Reinforced Plastic (CFRP) state by changing both the curing and tempering temperatures. During the production of CFRP plates, mass and energy flows were tracked in each step. Three point-bending and interlaminar shear tests have been performed on the resulting samples to identify basic mechanical properties. The environmental impacts are determined by a cradle-to-gate Life Cycle Assessment (LCA), using the software SimaPro. The resulting tradeoffs between mechanical properties and environmental impacts show nonlinear behavior, thus revealing optimum points above which improved mechanical properties are associated with significantly higher CO₂ emissions.