Phase Transition Analysis of Thermoresponsive Polymer PNIPAM at Multiple Concentrations

Rohan SarkarFollow

School Name

South Carolina Governor's School for Science and Mathematics

Grade Level

12th Grade

Presentation Topic

Chemistry

Presentation Type

Mentored

Abstract

This research aimed to study the behavior of Poly(N-isopropylacrylamide) (PNIPAM), a thermoresponsive polymer, as temperature varies. PNIPAM possesses a critical temperature of 32 degrees Celsius, rendering it suitable for medical applications, particularly in cancer treatment. Its critical temperature allows targeted drug delivery to cancerous areas while sparing the rest of the body from aggressive treatments. The investigation focused on three different concentrations of PNIPAM fluid (10%, 5%, and 1%) using a molecular dynamics simulation called dissipative particle dynamics (DPD). Due to DPD's lack of energy conservation, the study adopted a new system, eDPD, with its own measurement units called "eDPD units." The simulation involved linearly increasing the temperature from 0.8 to 1.2, calculated relative to the critical temperature. At an eDPD time unit of 750, the phase transition was observed as the temperature reached 1. To analyze the phase transitions, the radius of gyration was employed, defined as the distance from the center of mass of a body at which the mass could be concentrated without changing its moment of rotational inertia about an axis through the center of mass. After recording changes in the radius of gyration at 5 eDPD time units for all three concentrations, the study concluded that a 10% and 5% concentration of PNIPAM is optimal for its behavior during the phase transition. This finding has implications for potential applications in medical contexts, particularly cancer treatment, where targeted drug delivery is essential for effective therapies while minimizing adverse effects on healthy tissues.

Location

RITA 363

Start Date

3-23-2024 11:30 AM

Presentation Format

Oral Only

Group Project

No

COinS
 
Mar 23rd, 11:30 AM

Phase Transition Analysis of Thermoresponsive Polymer PNIPAM at Multiple Concentrations

RITA 363

This research aimed to study the behavior of Poly(N-isopropylacrylamide) (PNIPAM), a thermoresponsive polymer, as temperature varies. PNIPAM possesses a critical temperature of 32 degrees Celsius, rendering it suitable for medical applications, particularly in cancer treatment. Its critical temperature allows targeted drug delivery to cancerous areas while sparing the rest of the body from aggressive treatments. The investigation focused on three different concentrations of PNIPAM fluid (10%, 5%, and 1%) using a molecular dynamics simulation called dissipative particle dynamics (DPD). Due to DPD's lack of energy conservation, the study adopted a new system, eDPD, with its own measurement units called "eDPD units." The simulation involved linearly increasing the temperature from 0.8 to 1.2, calculated relative to the critical temperature. At an eDPD time unit of 750, the phase transition was observed as the temperature reached 1. To analyze the phase transitions, the radius of gyration was employed, defined as the distance from the center of mass of a body at which the mass could be concentrated without changing its moment of rotational inertia about an axis through the center of mass. After recording changes in the radius of gyration at 5 eDPD time units for all three concentrations, the study concluded that a 10% and 5% concentration of PNIPAM is optimal for its behavior during the phase transition. This finding has implications for potential applications in medical contexts, particularly cancer treatment, where targeted drug delivery is essential for effective therapies while minimizing adverse effects on healthy tissues.