scholarly journals Phase Equilibria and Condensed Phase Properties of Fluorinated Alkanes via First Principles Simulations

2017 ◽  
Vol 2 (36) ◽  
pp. 11969-11976 ◽  
Author(s):  
Himanshu Goel ◽  
Zachary W. Windom ◽  
Charles L. Butler ◽  
Neeraj Rai
Keyword(s):  
Phase Equilibria ◽  
Condensed Phase ◽  
First Principles ◽  
Phase Properties

Reactions in solution

2018 ◽  
Author(s):  
Dennis Sherwood ◽  
Paul Dalby
Keyword(s):  
Phase Equilibria ◽  
Gas Phase ◽  
First Principles ◽  
Unique Feature ◽  
Life Sciences ◽  
Equilibrium Mixture ◽  
Second Law ◽  
Ideal Solution ◽  
Coupled Reactions ◽  
Definition Of

Another key chapter, examining reactions in solution. Starting with the definition of an ideal solution, and then introducing Raoult’s law and Henry’s law, this chapter then draws on the results of Chapter 14 (gas phase equilibria) to derive the corresponding results for equilibria in an ideal solution. A unique feature of this chapter is the analysis of coupled reactions, once again using first principles to show how the coupling of an endergonic reaction to a suitable exergonic reaction results in an equilibrium mixture in which the products of the endergonic reaction are present in much higher quantity. This demonstrates how coupled reactions can cause entropy-reducing events to take place without breaking the Second Law, so setting the scene for the future chapters on applications of thermodynamics to the life sciences, especially chapter 24 on bioenergetics.

High-temperature, condensed-phase equilibria in the system Ti-W-O

1967 ◽  
Vol 12 (1) ◽  
pp. 51-56 ◽  
Author(s):  
L.L.Y. Chang ◽  
M.G. Scroger ◽  
B. Phillips
Keyword(s):  
High Temperature ◽  
Phase Equilibria ◽  
Condensed Phase

scholarly journals A thermodynamic description of metastable c-TiAlZrN coatings with triple spinodally decomposed domains

2017 ◽  
Vol 53 (2) ◽  
pp. 85-93 ◽  
Author(s):  
J. Zhou ◽  
L. Zhang ◽  
L. Chen ◽  
Y. Du ◽  
Z.K. Liu
Keyword(s):  
Experimental Data ◽  
Phase Equilibria ◽  
First Principles ◽  
Thermodynamic Description ◽  
Quantitative Description ◽  
Experimental Phase Equilibria ◽  
Free Energies ◽  
Calphad Technique ◽  
Important Input ◽  
Good Agreement

A critical thermodynamic assessment of the metastable c-TiAlZrN coatings, which are reported to spinodally decompose into triple domains, i.e., c-TiN, c-AlN, and c-ZrN, was performed via the CALculation of PHAse Diagram (CALPHAD) technique based on the limited experimental data as well as the first-principles computed free energies. The metastable c-TiAlZrN coatings were modeled as a pseudo-ternary phase consisting of c-TiN, c-AlN and c-ZrN species, and described using the substitutional solution model. The thermodynamic descriptions for the three boundary binaries were directly taken from either the CALPHAD assessment or the first-principles results available in the literature except for a re-adjustment of the pseudo-binary c-AlN/c-ZrN system based on the experimental phase equilibria in the pseudo-ternary system. The good agreement between the calculated phase equilibria and the experimental data over the wide temperature range was obtained, validating the reliability of the presently obtained thermodynamic descriptions for the c-TiAlZrN system. Based on the present thermodynamic description, different phase diagrams and thermodynamic properties can be easily predicted. It is anticipated that the present thermodynamic description of the metastable c-TiAlZrN coatings can serve as the important input for the later quantitative description of the microstructure evolution during service life.

Effects of Back Pressure on Condensed-Phase Properties Within Supercritical Ethylene Jets

2011 ◽  
Author(s):  
Kuo-Cheng Lin ◽  
Michael Ryan ◽  
Campbell Carter ◽  
Alec Sandy ◽  
Suresh Narayanan ◽  
...  
Keyword(s):  
Condensed Phase ◽  
Back Pressure ◽  
Phase Properties
Sign in / Sign up

Export Citation Format

Share Document