Jennifer Clark

Works (5)

Updated: July 5th, 2023 15:38

2021 journal article

DFT Analysis of Organotin Catalytic Mechanisms in Dehydration Esterification Reactions for Terephthalic Acid and 2,2,4,4-Tetramethyl-1,3-cyclobutanediol

JOURNAL OF PHYSICAL CHEMISTRY A, 125(23), 4943–4956.

By: J. Clark n, P. Thacker n, C. McGill n, J. Miles n, P. Westmoreland n , K. Efimenko n , J. Genzer n , E. Santiso n 

TL;DR: Calculations are used to show that esterification of TMCD and TPA will reduce and subsequently dehydrate a dimethyl tin oxide catalyst, becoming ligands on the now four-coordinate complex, a key first step in understanding polyester synthesis and avoiding undesirable side reactions during production. (via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: June 9, 2021

2021 journal article

SAFT-gamma-Mie Cross-Interaction Parameters from Density Functional Theory-Predicted Multipoles of Molecular Fragments for Carbon Dioxide, Benzene, Alkanes, and Water

JOURNAL OF PHYSICAL CHEMISTRY B, 125(15), 3867–3882.

By: J. Clark n & E. Santiso n 

TL;DR: This work derives predictive combining rules within the SAFT-γ-Mie framework that account for the effect of ionization energies, partial charges, dipole moments, and quadrupole moments for molecular fragments and demonstrates their use to obtain realistic cross-interaction energies without the need for experimental data. (via Semantic Scholar)
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: May 24, 2021

2020 journal article

Structural modifications of soda-lime silicate glasses using femtosecond pulse-laser irradiation

INTERNATIONAL JOURNAL OF APPLIED GLASS SCIENCE, 12(1), 25–35.

By: S. Locker *, J. Clark n & S. Sundaram *

author keywords: densification; femtosecond laser; Raman; silicate glass
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 10, 2020

2019 journal article

Morphology and proton diffusion in a coarse-grained model of sulfonated poly(phenylenes)

JOURNAL OF CHEMICAL PHYSICS, 151(10).

By: J. Clark n, E. Santiso n  & A. Frischknecht *

TL;DR: The DPD simulations predict that the SDAPP nanophase separates into hydrophobic polymer domains and hydrophilic domains that percolate through the system at sufficiently high sulfonation and hydration levels, in agreement with experimental measurements in SDAPP. (via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: October 7, 2019

2016 journal article

Optimal Design and Economic Evaluation of Dividing-Wall Columns

CHEMICAL ENGINEERING & TECHNOLOGY, 39(6), 1077–1086.

By: H. Long*, J. Clark n, H. Benyounes *, W. Shen *, L. Dong * & S. Wei*

author keywords: Dividing-wall column; Economic evaluation; Energy consumption reduction; Process optimization; Sensitivity analysis
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

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