The approximation between thermal sensation votes (TSV) and predicted mean vote (PMV): A comparative analysis

The Fanger's predicted mean vote (PMV) model is used to evaluate thermal comfort. However, when PMV is compared to people's real thermal sensations, collected in field studies, some discrepancies are verified. One of the components for the calculation of PMV is clothing surface temperature (t_cl), which can be a factor that contributes towards these discrepancies. The aim of this study was to propose alternative methods for predicted mean vote, seeking to reduce these discrepancies. The mathematical Newton's method was applied to obtaining t_cl values. The PMV₁ was determined by replacing the t_cl values in the traditional equation of PMV as described by ISO 7730 (2005). The second model of thermal prediction, named as PMV₂, was obtained by a multiple linear regression considering the thermal sensation votes, the metabolic rate and the six heat exchange mechanisms. Two groups (welders and army officers) were used to verify the accuracy of the methods used in this research. The results show that both methods were able to describe the thermal sensation votes. For the welder group, both PMV₁ and PMV₂ overestimated the results: when people voted TSV = 0, PMV₁ = 0.64 and PMV₂ = 0.23. In the case of the army officers group, applying PMV₁, when TSV = 0, PMV₁ = 1.47. The application of the multiple regression increased the potential of PMV₂ to obtain responses closer to those provided by the occupants of the thermal environment studied: when TSV = 0, PMV₂ = 0.0068, demonstrating a greater effectiveness of this method.     

PMV model is insufficient to capture subjective thermal response from Indians

A controlled laboratory experiment was carried out on forty Indian male college students for evaluating the effect of indoor thermal environment on occupants' response and thermal comfort. During experiment, indoor temperature varied from 21 °C to 33 °C, and the variables like relative humidity, airflow, air temperature and radiant temperature were recorded along with subject's physiological parameters (skin (T_sk) and oral temperature (T_c)) and subjective thermal sensation responses (TSV). From T_sk and T_c, body temperature (T_b) was evaluated. Subjective Thermal Sensation Vote (TSV) was recorded using ASHRAE 7-point scale. In PMV model, Fanger's T_sk equation was used to accommodate adaptive response. Stepwise regression analysis result showed T_b was better predictor of TSV than T_sk and T_c. Regional skin temperature response, suppressed sweating without dipping, lower sweating threshold temperature and higher cutaneous threshold for sweating were observed as thermal adaptive responses. These adaptive responses cannot be considered in PMV model. To incorporate subjective adaptive response, mean skin temperature (T_sk) is considered in dry heat loss calculation. Along with these, PMV-model and other two methodologies are adopted to calculate PMV values and results are compared. However, recent literature is limited to measure the sweat rate in Indians and consideration of constant Ersw in PMV model needs to be corrected. Using measured T_sk in PMV model (Method₁), thermal comfort zone corresponding to 0.5 ≤ PMV ≤ 0.5 was evaluated as (22.46–25.41) °C with neutral temperature of 23.91 °C, similarly while using TSV response, wider comfort zone was estimated as (23.25–26.32) °C with neutral temperature at 24.83 °C, which was further increased to with TSV-PPD_new relation. It was observed that PMV-model overestimated the actual thermal response. Interestingly, these subjects were found to be less sensitive to hot but more sensitive to cold. A new TSV-PPD relation (PPD_new) was obtained from the population distribution of TSV response with an asymmetric distribution of hot-cold thermal sensation response from Indians. The calculations of human thermal stress according to steady state energy balance models used on PMV model seem to be inadequate to evaluate human thermal sensation of Indians.     

Comparative analysis of methods for determining the clothing surface temperature (tcl) in order to provide a balance between man and the environment

The PMV (Predicted Mean Vote) is an index which shows the thermal sensation of a large group of people exposed to the same environment. However, discrepancies are found between the PMV model and thermal sensation responses obtained in field studies. One of the components for the calculation of PMV is clothing surface temperature (t_cl), which can be a factor which contributes towards these discrepancies. Therefore, the aim of this article was to show t_cl influence on the PMV index. For this, the calculation of t_cl was done in two ways: the first was through the algorithm presented in the Annex D of ISO 7730 (2005) (Algorithm 1) and the second way was through Newton's Method (Algorithm 2), on a group of welders of a metal-mechanic industry. After calculating t_cl in these two ways, (algorithms 1 and 2), the two values obtained for t_cl were compared and the results were not the same. Consequently, different values for t_cl generate different results for the PMV. Newton's Method, having quadratic convergence, is more precise for the calculation; therefore, the suggestion is to use this method to determine t_cl since this is a variable with direct influence in determining the PMV.Relevancy to industryWhenever it is possible to determine the PMV and when this result is closer to people's responses to thermal sensation, one can provide a more appropriate environment to users in order to have Thermal Comfort and, principally, to avoid Thermal Stress.     

Artificial neural network-based model for predicting VO2max from a submaximal exercise test

The goal of this study is to develop an accurate artificial neural network (ANN)-based model to predict maximal oxygen uptake (VO₂max) of fit adults from a single stage submaximal treadmill jogging test. Participants (81 males and 45 females), aged from 17 to 40 years, successfully completed a maximal graded exercise test (GXT) to determine VO₂max. The variables; gender, age, body mass, steady-state heart rate and jogging speed are used to build the ANN prediction model. Using 10-fold cross validation on the dataset, the average values of standard error of estimate (SEE), Pearson’s correlation coefficient (r) and multiple correlation coefficient (R) of the model are calculated as 1.80 ml kg^?1 min^?1, 0.95 and 0.93, respectively. Compared with the results of the other prediction models in literature that were developed using Multiple Linear Regression Analysis, the reported values of SEE, r and R in this study are considerably more accurate.     

First-order piezoresistance coefficients in heavily doped p-type silicon crystals

The first-order piezoresistance coefficients π₁₁, π₁₂, π₄₄ were calculated for heavily doped p-type silicon crystals. The analytical calculation was carried out within the framework of the three-band model taking into account effect of anisotropy and influence of the spin-orbit split-off band (here the SO band) on shape of heavy and light hole bands as well as direct contribution of the SO band into magnitude of the piezoresistance coefficients. The letter is negligible for shear piezoresistance coefficient π₄₄ but for values of piezoresistance coefficients π₁₁ and π₁₂ its contribution reaches 30%. In correspondence with experimental data the calculated values of piezoresistance coefficients π₁₁ and π₁₂ have opposite signs for scattering by acoustic phonons or by ionized impurities.There is a good agreement between our numerical results (for scattering by ionized impurities) and experimental data for shear piezoresistance coefficient π₄₄ at temperatures 190–375 K. It has been obtained in wide range of impurity concentrations (5 × 10¹⁹–2 × 10²¹ cm⁻³).     

Thermoelectric properties of SbNCa3 and BiNCa3 for thermoelectric devices and alternative energy applications

Thermoelectric properties of two antiperovskites SbNCa₃ and BiNCa₃ are calculated using first principles calculations. High values of Seebeck coefficients are observed for these materials. Electrical and thermal conductivities are also calculated. Increase in thermal conductivity and decrease in electrical conductivity are found with increasing temperature. The maximum values of thermal conductivity are 92×10¹⁴  W/m K s and 88×10¹⁴  W/m K s for SbNCa₃ and BiNCa₃ respectively at a temperature of 900 K. The peak values of 5×10²⁰/Ω m s and 5.2×10²⁰/Ω m s are achieved for n-type SbNCa₃ and BiNCa₃ respectively at a temperature of 300 K. Figure of merit is achieved for these materials at room temperature which shows that these materials can be useful for thermoelectric devices and alternative energy sources.     

The effect of pre-warming on performance during simulated firefighting exercise

This study examined the effect of active pre-warming on speed and quality of performance during simulated firefighting exercise. Twelve male firefighters performed two trials in counterbalanced order. They were either pre-warmed by 20-min cycling at 1.5 Watt kg⁻¹ body mass (WARM) or remained thermoneutral (CON) prior to a simulated firefighting activity. After the pre-warming, gastrointestinal temperature (P < 0.001), skin temperature (P = 0.002), and heart rate (P < 0.001) were higher in WARM than in CON. During the firefighting activity, rating of perceived exertion, thermal sensation and discomfort were higher for WARM than for CON. Finish time of the firefighting activity was similar, but the last task of the activity was completed slower in WARM than in CON (P = 0.04). In WARM, self-reported performance quality was lower than in CON (P = 0.04). It is concluded that pre-warming reduces the speed during the last part of simulated firefighting activity and reduces self-reported quality of performance.     

Impact of sea ice on the retrieval of water-leaving reflectance, chlorophyll a concentration and inherent optical properties from satellite ocean color data

Two physical phenomena by which satellite remotely sensed ocean color data are contaminated by sea ice at high latitudes are described through simulations and observations: (1) the adjacency effect that occurs along sea ice margins and (2) the sub-pixel contamination by a small amount of sea ice within an ocean pixel. The signal at the top of the atmosphere (TOA) was simulated using the 6S radiative transfer code that allows modeling of the adjacency effect for various types of sea ice surrounding an open water area. In situ sea ice reflectance spectra used in the simulations were measured prior to and during the melt period as part of the 2004 Canadian Arctic Shelf Exchange Study (CASES). For sub-pixel contamination, the TOA signal was simulated for various surface reflectances obtained by linear mixture of both sea ice and water-leaving reflectances (ρ_w). The standard atmospheric correction algorithm was then applied to the simulated TOA spectra to retrieve ρ_w spectra from which chlorophyll a concentrations (CHL) and inherent optical properties (IOPs) were derived. The adjacency effect was associated with large errors (> 0.002) in the retrieval of ρ_w as far as 24 km from an ice edge in the blue part of the spectrum (443 nm). Therefore, for moderate to high CHL (> 0.5 mg m^− 3), any pixel located within a distance of ∼ 10-20 km from the ice edge were unreliable. It was also found necessary to consider the adjacency effect when the total absorption coefficient (a_t) was to be retrieved using a semi-analytical algorithm. a_t(443) was underestimated by more than 35% at a distance of 20 km from an ice edge for CHL > 0.5 mg m^− 3. The effect on the retrieval of the particle backscattering coefficient (b_bp) was important only for clear waters (CHL ∼ 0.05 mg m^− 3). In contrast, sub-pixel contamination by a small amount of sea ice produced systematic underestimation of ρ_w in the blue because of incorrect interpretation of enhanced reflectance in the near infrared that is attributed to higher concentrations of atmospheric aerosols. In general, sub-pixel contamination was found to result in overestimations of CHL and a_t, and underestimations of b_bp. A simple method was proposed to flag pixels contaminated by adjacency effect.     

Evaluation of thermal and evaporative resistances in cricket helmets using a sweating manikin

The main objective of this study is to establish an approach for measuring the dry and evaporative heat dissipation cricket helmets. A range of cricket helmets has been tested using a sweating manikin within a controlled climatic chamber. The thermal manikin experiments were conducted in two stages, namely the (i) dry test and (ii) wet test. The ambient air temperature for the dry tests was controlled to ∼23 °C, and the mean skin temperatures averaged ∼35 °C. The thermal insulation value measured for the manikin with helmet ensemble ranged from 1.0 to 1.2 clo. The results showed that among the five cricket helmets, the Masuri helmet offered slightly more thermal insulation while the Elite helmet offered the least. However, under the dry laboratory conditions and with minimal air movement (air velocity = 0.08 ± 0.01 ms⁻¹), small differences exist between the thermal resistance values for the tested helmets. The wet tests were conducted in an isothermal condition, with an ambient and skin mean temperatures averaged ∼35 °C, the evaporative resistance, R_et, varied between 36 and 60 m² Pa W⁻¹. These large variations in evaporative heat dissipation values are due to the presence of a thick layer of comfort lining in certain helmet designs. This finding suggests that the type and design of padding may influence the rate of evaporative heat dissipation from the head and face; hence the type of material and thickness of the padding is critical for the effectiveness of evaporative heat loss and comfort of the wearer. Issues for further investigations in field trials are discussed.     

Melting temperature prediction by thermoelastic instability: An ab initio modelling,for periclase (MgO)

Melting temperature (T_M) is a crucial physical property of solids and plays an important role for the characterization of materials, allowing us to understand their behavior at non-ambient conditions. The present investigation aims i) to provide a physically sound basis to the estimation of T_M through a “critical temperature” (T_C), which signals the onset of thermodynamic instability due to a change of the isothermal bulk modulus from positive to negative at a given P_C-V_C-T_C point, such that (∂P/∂V)_VC,TC = -(∂²F/∂V²) _VC,TC = 0; ii) to discuss the case of periclase (MgO), for which accurate melting temperature observations as a function of pressure are available. Using first principles calculations, quasi-harmonic approximation and anharmonic correction, we model the Helmholtz potential, i.e. F(V,T), and determine pressure thereby. A comparison between measured and predicted T_M values as a function of pressure shows achievement of an average discrepancy of ~2.9%, in the range 0–25 GPa and 3000–5000 K.     

The V-Zn binary system: New experimental results and thermodynamic assessment

Experimental investigation followed by thermodynamic assessment of the V-Zn system was carried out in the present study. A series of V-Zn alloys annealed at various temperatures were examined using scanning electron microscopy coupled with energy dispersive spectroscopy/wavelength dispersive X-ray spectrometer, X-ray diffraction and differential thermal analysis. It was confirmed that V Zn₁₆, with a V content of about 5.8 at.%, was indeed an equilibrium phase. DTA results indicated that the peritectic temperature for V Zn₁₆ was about 427 ^°C. Two new metastable compounds, V Zn₉ and V ₃Zn₂, with V contents of 8.5-11.3 at.% and 60 at.%, respectively, were discovered. DTA results together with SEM-EDS examinations revealed that V Zn₉ was formed at around 450 ^°C in Zn75V25 alloy with a cooling rate greater than 12 ^°C/min. The V Zn₉ phase, however, decomposed into V Zn₃ and liquid Zn when the alloy was held above 442 ^°C. The peritectic temperatures for two equilibrium phases, V ₄Zn₅ and V Zn₃, were 651 ^°C and 621 ^°C, respectively. These measurements were slightly lower than the values determined in prior studies. The onset temperature for forming V Zn₃ decreased significantly with increasing cooling rate while its exothermic peak widened during fast cooling. These phenomena indicated that both the nucleation and growth processes for V Zn₃ were kinetically challenged.In addition, the solubility of Zn in α-V was measured. It was 2.1 at.%, 2.5 at.%, 2.6 at.%, 2.9 at.% and 3.3 at.% at 450 ^°C, 600 ^°C, 670 ^°C, 800 ^°C and 1000 ^°C, respectively. Based on the results obtained in the present study and previous investigations, the V-Zn system was reassessed thermodynamically. The assessment was in good agreement with experimental results.     

Simulation of solid thermal explosion and liquid thermal explosion of dicumyl peroxide using calorimetric technique

Dicumyl peroxide (DCPO), is produced by cumene hydroperoxide (CHP) process, is utilized as an initiator for polymerization, a prevailing source of free radicals, a hardener, and a linking agent. DCPO has caused several thermal explosion and runaway reaction accidents in reaction and storage zone in Taiwan because of its unstable reactive property. Differential scanning calorimetry (DSC) was used to determine thermokinetic parameters including 700 J g^–1 of heat of decomposition (ΔH_d), 110 °C of exothermic onset temperature (T₀), 130 kJ mol^–1 of activation energy (E_a), etc., and to analyze the runaway behavior of DCPO in a reaction and storage zone. To evaluate thermal explosion of DCPO with storage equipment, solid thermal explosion (STE) and liquid thermal explosion (LTE) of thermal safety software (TSS) were applied to simulate storage tank under various environmental temperatures (T_e). T_e exceeding the T₀ of DCPO can be discovered as a liquid thermal explosion situation. DCPO was stored under room temperature without sunshine and was prohibited exceeding 67 °C of self-accelerating decomposition temperature (SADT) for a tank (radius = 1 m and height = 2 m). SADT of DCPO in a box (width, length and height = 1 m, respectively) was determined to be 60 °C. The TSS was employed to simulate the fundamental thermal explosion behavior in a large tank or a drum. Results from curve fitting demonstrated that, even at the earlier stage of the reaction in the experiments, ambient temperature could elicit exothermic reactions of DCPO. To curtail the extent of the risk, relevant hazard information is quite significant and must be provided in the manufacturing process.     

Assessment of water quality in Lake Garda (Italy) using Hyperion

For testing the integration of the remote sensing related technologies into the water quality monitoring programs of Lake Garda (the largest Italian lake), the spatial and spectral resolutions of Hyperion and the capability of physics-based approaches were considered highly suitable. Hyperion data were acquired on 22nd July 2003 and water quality was assessed (i) defining a bio-optical model, (ii) converting the Hyperion at-sensor radiances into subsurface irradiance reflectances, and (iii) adopting a bio-optical model inversion technique. The bio-optical model was parameterised using specific inherent optical properties of the lake and light field variables derived from a radiative transfer numerical model. A MODTRAN-based atmospheric correction code, complemented with an air/water interface correction was used to convert Hyperion at-sensor radiances into subsurface irradiance reflectance values. These reflectance values were comparable to in situ reflectance spectra measured during the Hyperion overpass, except at longer wavelengths (beyond 700 nm), where reflectance values were contaminated by severe atmospheric adjacency effects. Chlorophyll-a and tripton concentrations were retrieved by inverting two Hyperion bands selected using a sensitivity analysis applied to the bio-optical model. The sensitivity analysis indicated that the assessment of coloured dissolved organic matter was not achievable in this study due to the limited coloured dissolved organic matter concentration range of the lake, resulting in reflectance differences below the environmental measurement noise of Hyperion. The chlorophyll-a and tripton image-products were compared to in situ data collected during the Hyperion overpass, both by traditional sampling techniques (8 points) and by continuous flow-through systems (32 km). For chlorophyll-a the correlation coefficient between in situ point stations and Hyperion-inferred concentrations was 0.77 (data range from 1.30 to 2.16 mg m^− 3). The Hyperion-derived chlorophyll-a concentrations also match most of the flow-through transect data. For tripton, the validation was constrained by variable re-suspension phenomena. The correlation coefficient between in situ point stations and Hyperion-derived concentrations increased from 0.48 to 0.75 (data range from 0.95 to 2.13 g m^− 3) if the sampling data from the re-suspension zone was avoided. The comparison of Hyperion-derived tripton concentrations and flow-through transect data exhibited a similar mismatch. The results of this research suggest further studies to address compatibilities of validation methods for water body features with a high rate of change, and to reduce the contamination by atmospheric adjacency effects on Hyperion data at longer wavelengths in Alpine environment. The transferability of the presented method to other sensors and the ability to assess water quality independent from in situ water quality data, suggest that management relevant applications for Lake Garda (and other subalpine lakes) could be supported by remote sensing.     

A new class of massively parallel direction splitting for the incompressible Navier–Stokes equations

We introduce in this paper a new direction splitting algorithm for solving the incompressible Navier–Stokes equations. The main originality of the method consists of using the operator (I ? ?_xx)(I ? ?_yy)(I ? ?_zz) for approximating the pressure correction instead of the Poisson operator as done in all the contemporary projection methods. The complexity of the proposed algorithm is significantly lower than that of projection methods, and it is shown the have the same stability properties as the Poisson-based pressure-correction techniques, either in standard or rotational form. The first-order (in time) version of the method is proved to have the same convergence properties as the classical first-order projection techniques. Numerical tests reveal that the second-order version of the method has the same convergence rate as its second-order projection counterpart as well. The method is suitable for parallel implementation and preliminary tests show excellent parallel performance on a distributed memory cluster of up to 1024 processors. The method has been validated on the three-dimensional lid-driven cavity flow using grids composed of up to 2 × 10⁹ points.     

Fabrication and characterization of Pb-free transparent dielectric layer for plasma display panel

Glasses within the Bi₂O₃–B₂O₃–BaO–ZnO system were examined as potential replacements for PbO-based glass frits with low firing temperatures. These frits are used in the transparent dielectric layer of plasma display panels (PDP). The glass transition temperature (T_g) of the prepared glasses varied between 450 and 460 °C. These glasses display dynamic dielectric properties, high transparency and thermal expansion as well as matching well with substrate glass. The thermal coefficient of expansion (TCE) was with the desired range of 81–86×10⁻⁷/K. Moreover, when the screen printed film was heat-treated at 570 °C for 30 min, optical transmittance (83%), root-mean square (rms) roughness (177.6 Å), dielectric constant (10.25) and withstand voltage (4.15 kV) satisfied the requirements necessary for transparent dielectric layers to be used in PDP applications.     

Evaluation of response characteristics of resistive oxygen sensors based on porous cerium oxide thick film using pressure modulation method

In order to reduce the response time of resistive oxygen sensors using porous cerium oxide thick film, it is important to ascertain the factors controlling response. Pressure modulation method (PMM) was used to find the rate-limiting step of sensor response. This useful method measures the amplitude of sensor output (H(f)) for the sine wave modulation of oxygen partial pressure at constant frequency (f). In PMM, “break” response time, which is minimum period in which the sensor responds precisely, can be measured. Three points were examined: (1) simulated calculations of PMM were carried out using a model of porous thick film in which spherical particles are connected in a three-dimensional network; (2) sensor response speed was experimentally measured using PMM; and (3) the diffusion coefficient and surface reaction coefficient were estimated by comparison between experiment and calculation. The plot of log f versus log H(f) in the high f region was found to have a slope of approximately −0.5 for both porous thick film and non-porous thin film, when the rate-limiting step was diffusion. Calculations showed the response time of porous thick film was 1/20 that of non-porous thin film when the grain diameter of the porous thick film was the same as the thickness of non-porous thin film. At 973 K, “break” response time (t_b) of the resistive oxygen sensor was found by experiment to be 109 ms. It was concluded that the response of the resistive oxygen sensor prepared in this study was strongly controlled by diffusion at 923–1023 K, since the experiment revealed that the slope of plot of log f versus log H(f) in the high f region was approximately −0.5. At 923–1023 K, the diffusion coefficient of oxygen vacancy in porous ceria (D_V) was expressed as follows: D_V (m²s⁻¹) = 5.78 × 10⁻⁴ exp(−1.94 eV/kT). At 1023 K, the surface reaction coefficient (K) was found to exceed 10⁻⁴ m/s.     

Fabrication and characterization of a thermal switch

The development of a thermal switch based on arrays of liquid–metal micro-droplets is presented. Prototype thermal switches are assembled from a silicon substrate on which is deposited an array of 1600 30-μm liquid–metal micro-droplets. The liquid–metal micro-droplet array makes and breaks contact with a second bare silicon substrate. A gap between the two silicon substrates is filled with either air at 760 Torr, air at of 0.5 Torr or xenon at 760 Torr. Heat transfer and thermal resistance across the thermal switches are measured for “on” (make contact) and “off” (break contact) conditions using guard-heated calorimetry. The figure of merit for a thermal switch, the ratio of “off” state thermal resistance over “on” state thermal resistance, R_off/R_on, is 129 ± 43 for a xenon-filled thermal switch that opens 100 μm and 60 ± 17 for an 0.5 Torr air-filled thermal switch that opens 25 μm. These thermal resistance ratios are shown to be markedly higher than values of R_off/R_on for a thermal switch based on contact between polished silicon surfaces. Transient temperature measurements for the liquid–metal micro-droplet switches indicate thermal switching times of less than 100 ms. Switch lifetimes are found to exceed one-million cycles.     

Computing with Quantized Enveloping Algebras: PBW-Type Bases,Highest-Weight Modules andR-Matrices

Let U_q(g) be the quantized enveloping algebra corresponding to the semisimple Lie algebra g. We describe algorithms to obtain the multiplication table of a PBW-type basis of U_q(g). We use this to obtain an algorithm for calculating a Gröbner basis of an ideal in the subalgebra U ⁻ , which leads to a general construction of irreducible highest-weight modules over U_q(g). We also indicate how to compute the corresponding R -matrices.     

Evolution of structure,stability, and nonlinear optical properties of the heterodinuclear CNLin (n = 1–10) clusters

The lowest-energy structures and stabilities of the heterodinuclear clusters, CNLi_n (n = 1–10) and relevant CNLi_n⁺ (n = 1–10) cations, are studied using the density functional theory with the 6-311 + G(3df) basis set. The CNLi₆ and CNLi₅⁺ clusters are the first three-dimensional ones in the CNLi_n^0/+ series, respectively, and the CN group always caps the Li_n^0/+ moiety in the CNLi_n^0/+ (n = 1–9) configurations. The CN triple bond is found to be completely cleaved in the CNLi₁₀^0/+ clusters where the C and N atoms are bridged by two Li atoms. The CNLi_n (n = 2–10) clusters are hyperlithiated molecules with delocalized valence electrons and consequently possess low VIP values of 3.780–5.674 eV. Especially, the CNLi₈ and CNLi₁₀ molecules exhibit lower VIPs than that of Cs atom and can be regarded as heterobinuclear superalkali species. Furthermore, these two superalkali clusters show extraordinarily large first hyperpolarizabilities of 19,423 and 42,658 au, respectively. For the CNLi_n⁺ cationic species, the evolution of the energetic and electronic properties with the cluster size shows a special stability for CNLi₂⁺.     

A simple semi-analytical model for remote estimation of chlorophyll-a in turbid waters: Validation

Accurate assessment of phytoplankton chlorophyll-a (chla) concentrations in turbid waters by means of remote sensing is challenging due to the optical complexity of case 2 waters. We have applied a recently developed model of the form [R_rs^? 1(λ₁) ? R_rs^? 1(λ₂)] × R_rs(λ₃) where R_rs(λ_i) is the remote-sensing reflectance at the wavelength λ_i, for the estimation of chla concentrations in turbid waters. The objectives of this paper are (a) to validate the three-band model as well as its special case, the two-band model R_rs^? 1(λ₁) × R_rs(λ₃), using datasets collected over a considerable range of optical properties, trophic status, and geographical locations in turbid lakes, reservoirs, estuaries, and coastal waters, and (b) to evaluate the extent to which the three-band model could be applied to the Medium Resolution Imaging Spectrometer (MERIS) and two-band model could be applied to the Moderate Resolution Imaging Spectroradiometer (MODIS) to estimate chla in turbid waters.The three-band model was calibrated and validated using three MERIS spectral bands (660–670 nm, 703.75–713.75 nm, and 750?757.5 nm), and the 2-band model was tested using two MODIS spectral bands (λ₁ = 662–672, λ₃ = 743–753 nm). We assessed the accuracy of chla prediction in four independent datasets without re-parameterization (adjustment of the coefficients) after initial calibration elsewhere. Although the validation data set contained widely variable chla (1.2 to 236 mg m^? 3), Secchi disk depth (0.18 to 4.1 m), and turbidity (1.3 to 78 NTU), chla predicted by the three-band algorithm was strongly correlated with observed chla (r² > 0.96), with a precision of 32% and average bias across data sets of ? 4.9% to 11%. Chla predicted by the two-band algorithm was also closely correlated with observed chla (r² > 0.92); however, the precision declined to 57%, and average bias across the data sets was 18% to 50.3%. These findings imply that, provided that an atmospheric correction scheme for the red and NIR bands is available, the extensive database of MERIS and MODIS imagery could be used for quantitative monitoring of chla in turbid waters.