Free Volume In Form Research Articles

A pairwise surface contact equation of state: COSMO-SAC-Phi

In this work a new method for inclusion of pressure effects in COSMO-type activity coefficient models is proposed. The extension consists in the direct combination of COSMO-SAC and lattice-fluid ideas by the inclusion of free volume in form of holes. The effort when computing pressure (given temperature, volume, and mole numbers) with the proposed model is similar to the cost for computing activity coefficients with any COSMO-type implementation. For given pressure, computational cost increases since an iterative method is needed. This concept was tested for representative substances and mixtures, ranging from light gases to molecules with up to 10 carbons. The proposed model was able to correlate experimental data of saturation pressure and saturated liquid volume of pure substances with deviations of 1.16% and 1.59%, respectively. In mixture vapor-liquid equilibria predictions, the resulting model was superior to Soave-Redlich-Kwong with Mathias-Copeman α-function and the classic van der Waals mixing rule in almost all cases tested and similar to PSRK method, from low pressures to over 100 bar. Good predictions of liquid-liquid equilibrium were also observed, performing similarly to UNIFAC-LLE, with improved responses at high temperatures and pressures.

Three-dimensional in vivo characterization of calcification in native valves and in Freestyle versus homograft aortic valves

This article describes a novel interactive method for quantitative evaluation of calcium deposits in the aortic valve by means of electron beam tomography data fusion technique. The technique relied on the use of hierarchic 3-dimensional free-form volume registration with fast global optimization between normally acquired and contrast-enhanced electron beam tomographic volume. A total of 66 contrast-enhanced electron beam tomographic scans of the aortic root were performed in 27 patients, 10 with native aortic valve disease (group A) and 17 from a prospective randomized trial of aortic root replacement (group B, 9 Freestyle grafts [Medtronic, Inc, Minneapolis, Minn] and 8 homografts). To validate the in vivo electron beam tomographic measurements, 5 patients from group A underwent electron beam tomographic scans before the operation and then had their own valves, explanted at the time of surgery, analyzed for calcium quantification by ex vivo electron beam tomography. In group A, the mean (+/- SE) calcification score was 6560 +/- 2388, which correlated with peak gradients measured at echocardiography ( r = 0.93, P = .02). In group B, the mean (+/- SE) calcification score was 168 +/- 27, showing a tendency toward a lower calcification for Freestyle valves than for homografts at 2 years after implantation ( P = .052). A mean variability of 6% was found between in vivo electron beam tomographic scores of calcification and those measured on valve specimens after explantation. We describe a novel method to characterize the degree and location of calcification in both native valves and postoperative valve implants. The technique may be useful in the management of patients with aortic valve disease and has potential as a screening tool for high-risk patients to diagnose early valve calcification and possibly institute corrective measures.

Deformation tensor morphometry of semantic dementia with quantitative validation

High-resolution structural MRI scans of 20 subjects diagnosed with semantic dementia were compared against scans of 20 cognitively normal control subjects using whole brain deformation tensor morphometry to study spatially consistent differences in local anatomical size. A fine lattice free-form volume registration algorithm was used to estimate a continuous mapping from a reference MRI to each individual subject MRI. The Jacobian of these transformations at each voxel were used to quantitatively map relative anatomical size in each individual brain. Intensity consistent filtering was applied to the determinant of these Jacobians. A careful validation using manually traced gyral anatomy was carried out and used to select an optimal deformation tensor filter scale at which to examine the anatomical size maps. General linear modeling at each voxel was used to decompose the influence of age and head size from the primary diagnosis. Maps of the T statistic of the diagnosis across the 40 subjects highlighted significant ( P < 0.01 Bonferroni corrected) focal tissue contraction effects related to dementia diagnosis in the left temporal pole extending into the hippocampus, occipitotemporal gyrus and parahippocampal gyrus. Some evidence of greater focal contraction in gray over white matter was also apparent. Contraction effects were also seen, but with reduced significance in the right temporal anatomy, focused toward the temporal pole and hippocampal regions. Additional lower significance findings ( P < 0.05 permutation corrected) were detected in the left superior frontal gyrus, left orbital gyrus and left parietal lobe.

Direct rendering of freeform volumes

A direct display method for volumes that are represented in trivariate parametric form is described. Functions defined for the freeform volume drive independently modifiable transfer functions of colour, intensity, and opacity. The functions may be designed or they may be derived from data. A forward mapping display algorithm accommodates both the freeform geometry and solution of the line-of-sight integral for direct rendering without the necessity for intermediate resampling. Geometric methods are developed to avoid expensive volume buffers and accommodate the volume warp. The method is suitable for parallel distribution, which occurs at several levels. This is implemented on a massively parallel SIMD machine, the MASPAR.

Rational tensor product Bézier volumes

Free form volumes in rational Bézier representation are derived via homogeneous coordinates. Some properties and constructions are presented and two applications of free form volumes are discussed: definition of solid primitives and curve and surface modelling by the way of volume deformation.

Rational tensor product Bézier volumes

Free form volumes in rational Bézier representation are derived via homogeneous coordinates. Some properties and constructions are presented and two applications of free form volumes are discussed: definition of solid primitives and curve and surface modelling by the way of volume deformation.