Jennifer Clark

Works (6)

Updated: March 5th, 2026 10:47

2025 article

DESPASITO: A Python Package for SAFT EOS Parametrization and Thermodynamic Calculations

Clark, J. A., Duff, N., Abi-Mansour, A., & Santiso, E. E. (2025, February 7). The Journal of Open Source Software.

By: J. Clark n, N. Duff n, A. Abi-Mansour* & E. Santiso n 

topics (OpenAlex): Phase Equilibria and Thermodynamics; Atmospheric and Environmental Gas Dynamics; Atmospheric Ozone and Climate
Source: NC State University Libraries
Added: March 4, 2026

2021 article

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

Clark, J. A., Thacker, P. J., McGill, C. J., Miles, J. R., Westmoreland, P. R., Efimenko, K., … Santiso, E. E. (2021, June 8). The Journal of Physical Chemistry A, Vol. 6, pp. 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 

topics (OpenAlex): Organometallic Complex Synthesis and Catalysis; Carbon dioxide utilization in catalysis; Inorganic and Organometallic Chemistry
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)
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6. Clean Water and Sanitation (OpenAlex)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: June 9, 2021

2021 article

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

Clark, J. A., & Santiso, E. E. (2021, April 7). The Journal of Physical Chemistry B, Vol. 125, pp. 3867–3882.

By: J. Clark n & E. Santiso n 

topics (OpenAlex): Phase Equilibria and Thermodynamics; Chemical Thermodynamics and Molecular Structure; Thermodynamic properties of mixtures
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)
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13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: May 24, 2021

2020 article

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

Locker, S., Clark, J. A., & Sundaram, S. K. (2020, July 12). International Journal of Applied Glass Science.

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

author keywords: densification; femtosecond laser; Raman; silicate glass
topics (OpenAlex): Glass properties and applications; Laser Material Processing Techniques; Building materials and conservation
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Source: Web Of Science
Added: August 10, 2020

2019 article

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

Clark, J. A., Santiso, E. E., & Frischknecht, A. L. (2019, September 9). The Journal of Chemical Physics, Vol. 151.

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

topics (OpenAlex): Fuel Cells and Related Materials; Membrane Separation and Gas Transport; Advanced Battery Materials and Technologies
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)
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6. Clean Water and Sanitation (OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: October 7, 2019

2016 article

Optimal Design and Economic Evaluation of Dividing‐Wall Columns

Long, H., Clark, J., Benyounes, H., Shen, W., Dong, L., & Wei, S. (2016, February 15). Chemical Engineering & Technology.

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
topics (OpenAlex): Process Optimization and Integration; Advanced Control Systems Optimization; Field-Flow Fractionation Techniques
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7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

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